Understanding molecular-scale effects on fracture can inform resource extraction and help maintain the nation’s infrastructure 

Three images show liquid nanoindentation setup, the indentation site, and water inside the crack tip in a molecular dynamics simulation.
Three images show liquid nanoindentation setup, the indentation site, and water inside the crack tip in a molecular dynamics simulation.

Subcritical fracture controls deformation and permeability of rocks and degradation of manmade materials. To further understand the chemical mechanisms controlling subcritical fracture, this three-year project created nanomechanical and continuum-scale mechanics experiments to assess elastic, plastic, and brittle deformation of single crystals and multi-component rocks in reactive chemical environments. Additionally, Sandia researchers developed atomistic and continuum-scale modeling approaches to predict fracturing in silicate, carbonate, and oxide solids, mimicking those reactive environments. The team, in conjunction with Sandia Alliance partner University of Illinois at Urbana-Champaign is developing a new data analysis tool to assess scale dependency during nanoindentation of laminated crystals. The experiments and models indicated that while calcium oxide phases are extremely sensitive to the presence of water, calcium carbonate undergoes only mild water-weakening and ion-specific interactions that can significantly decrease fracturing. Understanding molecular scale effects on fracture could revolutionize the nation’s use of subsurface systems for resource extraction, storage of CO2 and nuclear waste, and help maintain essential infrastructure relevant to national security. The project’s findings to date are reported in Journal of Materials Science, The Journal of Physical Chemistry C, and Physical Review E.  

Sandia researchers linked to work 

  • Anastasia Illgen 
  • Haley Davis 
  • Jennifer Wilson 
  • Robert Choens 
  • Jessica Rimsza 
  • Scott Grutzik 

Sponsored by 

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Associated Publications

  • Rimsza, J.M., Jones, R.E., & Jones, R.E. (2023). Fracture mechanisms of sodium silicate glasses. International Journal of Applied Glass Science, 14(1), pp. 27-37. https://doi.org/10.1111/ijag.16594 Publication ID: 80878
  • Rimsza, J.M., Nenoff, T.M., Christian, M., Hurlock, M., & Hurlock, M. (2022). Carbon Capture in Novel Porous Liquids. https://doi.org/10.2172/1888616 Publication ID: 80250
  • DelRio, F., Grutzik, S., Mook, W., Dickens, S., Kotula, P., Hintsala, E., Stauffer, D., Boyce, B., & Boyce, B. (2022). In-situ, nanoscale fracture toughness measurements for improved mechanical interfaces. https://doi.org/10.2172/1885209 Publication ID: 80127
  • Rimsza, J.M., Strong, K., Buche, M., Jones, R.E., Nakakura, C., Weyrauch, N., Brow, R., Duree, J., Stephens, K., Grutzik, S., & Grutzik, S. (2022). Stress Intensity Thresholds for Development of Reliable Brittle Materials. https://doi.org/10.2172/1888358 Publication ID: 80238
  • Yoon, H., Kucala, A., Chang, K.W., Martinez, M.J., Bean, J.E., Kadeethum, T., Warren, M., Wilson, J., Broome, S., Stewart, L., Estrada, D., Bouklas, N., Fuhg, J., & Fuhg, J. (2022). Computational Analysis of Coupled Geoscience Processes in Fractured and Deformable Media. https://doi.org/10.2172/1890064 Publication ID: 80248
  • Buche, M., Silberstein, M., Grutzik, S., & Grutzik, S. (2022). Freely jointed chain models with extensible links. Physical Review E, 106(2). https://doi.org/10.1103/physreve.106.024502 Publication ID: 80094
  • Christian, M., Fritzsching, K., Harvey, J., Sava Gallis, D., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2022). Dramatic Enhancement of Rare-Earth Metal–Organic Framework Stability Via Metal Cluster Fluorination. JACS Au, 2(8), pp. 1889-1898. https://doi.org/10.1021/jacsau.2c00259 Publication ID: 80068
  • Rimsza, J.M., Henkelis, S., Rohwer, L.E.S., Sava Gallis, D., Nenoff, T.M., & Nenoff, T.M. (2022). Crystal Prediction and Design of Tunable Light Emission in BTB-Based Metal-Organic Frameworks. Advanced Optical Materials, 10(16). https://doi.org/10.1002/adom.202200058 Publication ID: 80856
  • Christian, M., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2022). Discovery of Complex Binding and Reaction Mechanisms from Ternary Gases in Rare Earth Metal–Organic Frameworks. Chemistry – A European Journal, 28(58). https://doi.org/10.1002/chem.202201926 Publication ID: 80106
  • Torrence, C.E., Trageser, J., Jones, R.E., Rimsza, J.M., & Rimsza, J.M. (2022). Sensitivity of the strength and toughness of concrete to the properties of the interfacial transition zone. Construction and Building Materials, 336. https://doi.org/10.1016/j.conbuildmat.2022.126875 Publication ID: 80774
  • Rimsza, J.M., Ilgen, A., & Ilgen, A. (2022). Water Weakening of Calcium Oxide. Journal of Physical Chemistry C, 126(22), pp. 9493-9501. https://doi.org/10.1021/acs.jpcc.2c01343 Publication ID: 80827
  • Kuhlman, K., Mills, M., Heath, J., Paul, M., Wilson, J., Bower, J.E., & Bower, J.E. (2022). Parameter estimation from spontaneous imbibition into volcanic tuff. Vadose Zone Journal, 21(2). https://doi.org/10.1002/vzj2.20188 Publication ID: 79959
  • Rimsza, J.M., Kuhlman, K., & Kuhlman, K. (2021). Temperature and Pressure Dependence of Salt-Brine Dihedral Angles in the Subsurface. Langmuir, 37(45), pp. 13291-13299. https://doi.org/10.1021/acs.langmuir.1c01836 Publication ID: 76596
  • Rimsza, J.M., Chapman, K.W., Nenoff, T.M., & Nenoff, T.M. (2021). Influence of Al location on formation of silver clusters in mordenite. Microporous and Mesoporous Materials, 327. https://doi.org/10.1016/j.micromeso.2021.111401 Publication ID: 75831
  • Bauer, S., Choens, R., Kibikas, W., Wilson, J., Homel, M., Achour, S., Huang, J., Shalev, E., Lyakhovsky, V., & Lyakhovsky, V. (2021). Borehole stability in the Ghareb formation [Presentation]. https://www.osti.gov/biblio/1897921 Publication ID: 76619
  • Grutzik, S. (2021). Kinetic model for environmentally assisted crack growth threshold [Conference Presenation]. https://doi.org/10.2172/1900107 Publication ID: 76914
  • Rimsza, J.M., Nakakura, C., Grutzik, S., Strong, K., & Strong, K. (2021). Atomistic Fracture Mechanisms in Sodium Silicates [Conference Presenation]. https://doi.org/10.2172/1900356 Publication ID: 76983
  • Rimsza, J.M., Henkelis, S., Sava Gallis, D., Rohwer, L.E.S., Nenoff, T.M., & Nenoff, T.M. (2021). Ligand-Based Tunable White Light Emissions in Non-REE MOF Structures [Conference Paper]. https://www.osti.gov/biblio/1890895 Publication ID: 76090
  • Christian, M., Vogel, D., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2021). Competitive Adsorption and Reactivity of Acid Gases in Rare Earth Metal Organic Frameworks [Conference Paper]. https://www.osti.gov/biblio/1890889 Publication ID: 76092
  • Rimsza, J.M., Ilgen, A., & Ilgen, A. (2021). Chemically Assisted Weakening of Calcium Oxide [Conference Paper]. https://www.osti.gov/biblio/1891071 Publication ID: 76124
  • Nenoff, T.M., Henkelis, S., Rodriguez, M.A., Vogel, D., Rademacher, D.X., Rimsza, J.M., Valdez, N.R., Percival, S.J., & Percival, S.J. (2021). Kinetically Controlled Linker Binding in Rare Earth-DOBDC MOFs, and its Effects on Acid Gas Adsorption [Conference Paper]. https://www.osti.gov/biblio/1891597 Publication ID: 76170
  • Frederick, J., Eymold, W., Mota, A., Tezaur, I., Jones, B., Flanary, C., Jones, C., Thomas, M., Bristol, E., Choens, R., Jones Ward, M., Kasper, J., Brown, E., McClelland, J., Bull, D., & Bull, D. (2021). Demonstration of the ACE (Arctic Coastal Erosion) model at Drew Point, AK during a permafrost bluff block collapse event in summer 2018 [Conference Poster]. https://doi.org/10.2172/1891599 Publication ID: 76178
  • DelRio, F., Grutzik, S., Mook, W., Dickens, S., Boyce, B., Hintsala, E., Stauffer, D., Cook, R., & Cook, R. (2021). In-situ, Nanoscale Fracture Toughness Measurements of Single-crystal Silicon [Conference Presenation]. https://doi.org/10.2172/1891971 Publication ID: 76217
  • Lee, H., Vallejos, A., Rimsza, J.M., Marissa, R., Davis-Wheeler, C., Treadwell, L., & Treadwell, L. (2021). Synthesis, Characterization, and Performance of Coated Copper Nanoparticles in High Humidity and H2S Environments [Conference Presenation]. https://doi.org/10.2172/1895017 Publication ID: 76483
  • Rimsza, J.M., Jones, R.E., Trageser, J., Hogancamp, J., Torrence, C., Mitts, C., Mitchell, C., Taha, M., Raby, P., Regueiro, R., Jadaan, D., & Jadaan, D. (2021). Integrated Multiphysics Modeling of Environmentally Assisted Brittle Fracture. https://doi.org/10.2172/1821258 Publication ID: 75778
  • Henkelis, S., Vogel, D., Metz, P., Rademacher, D.X., Valdez, N.R., Rodriguez, M.A., Rimsza, J.M., page, K., Nenoff, T.M., & Nenoff, T.M. (2021). Kinetically Controlled Linker Binding in RE-DOBDC MOFs, and its Predicted Effects on Acid Gas Adsorption [Conference Poster]. https://doi.org/10.2172/1888717 Publication ID: 75853
  • Matteo, E., Conley, D., Verzi, S., Roberts, B., Doyle, C., Sobolik, S., Gilletly, S., Bauer, S., Pyrak-Nolte, L., Reda Taha, M., Stormont, J., Crandall, D., Moriarty, D., John, E., Wilson, J., Bettin, G., Hogancamp, J., Fernandez, S., Anwar, I., … Bland, J. (2021). Advanced Detection of Wellbore Failure for Safe and Secure Utilization of Subsurface Infrastructure. https://doi.org/10.2172/1820250 Publication ID: 75660
  • Ilgen, A., Choens, R., Knight, A., Harvey, J., Martinez, M.J., Yoon, H., Wilson, J., Mills, M., Wang, Q., Gruenwald, M., Newell, P., Schuler, L., Davis, H., & Davis, H. (2021). Isotopic fractionation as in-situ sensor of subsurface reactive flow and precursor for rock failure. https://doi.org/10.2172/1820526 Publication ID: 75701
  • Rimsza, J.M., Grutzik, S., & Grutzik, S. (2021). Viscoelastic Relaxation in Silica via Reactive Molecular Dynamic Simulations [Conference Presenation]. https://doi.org/10.2172/1890846 Publication ID: 75993
  • Rimsza, J.M., Vogel, D., Christian, M., Nenoff, T.M., & Nenoff, T.M. (2021). Mechanisms of Competitive Adsorption and Reactivity of Acid Gases in RE-DOBDC MOFs [Conference Poster]. https://doi.org/10.2172/1889570 Publication ID: 75739
  • Kuhlman, K., Mills, M., Jayne, R., Matteo, E., Herrick, C., Nemer, M., Xiong, Y., Choens, R., Paul, M., Stauffer, P., Boukhalfa, H., Guiltinan, E., Rahn, T., Weaver, D., Otto, S., Davis, J., Rutqvist, J., Wu, Y., Hu, M., Wang, J., & Wang, J. (2021). Brine Availability Test in Salt (BATS) FY21 Update. https://doi.org/10.2172/1821547 Publication ID: 75508
  • Ilgen, A., Choens, R., Wilson, J., & Wilson, J. (2021). Subcritical Fracturing of Calcite Single Crystals and Grain Packs [Conference Presenation]. https://doi.org/10.2172/1883052 Publication ID: 75292
  • Grutzik, S., Emery, J., Appelhans, L., Moore, C., Subia, S., & Subia, S. (2021). Multi-physics prediction of dielectric breakdown with a defect tolerant mindset [Presentation]. https://www.osti.gov/biblio/1888671 Publication ID: 75383
  • Kuhlman, K., Mills, M., Heath, J., Paul, M., Wilson, J., Bower, J., & Bower, J. (2021). Spontaneous Imbibition Tests and Parameter Estimation in Volcanic Tuff. https://doi.org/10.2172/1815348 Publication ID: 79751
  • Knight, A., Harvey, J., Ilgen, A., & Ilgen, A. (2021). The Combined Effects of Mg2+ and Sr2+ on Calcite Crystallization, Growth, and Incorporation Behavior [Conference Presenation]. https://doi.org/10.2172/1883459 Publication ID: 75229
  • Greathouse, J.A., Duncan, T.J., Ilgen, A., Harvey, J., Criscenti, L.J., Knight, A., & Knight, A. (2021). Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica. Environmental Science: Nano, 8(7), pp. 1992-2005. https://doi.org/10.1039/d1en00066g Publication ID: 78696
  • Warren, M., Kucala, A., Martinez, M.J., Bean, J.E., Broome, S., Wilson, J., Yoon, H., & Yoon, H. (2021). Computational and Experimental Study of Permeability Changes under Confinement in Fractured Porous Media [Conference Presenation]. https://doi.org/10.2172/1884222 Publication ID: 79521
  • Trageser, J., Rimsza, J.M., Jones, R.E., Hogancamp, J., & Hogancamp, J. (2021). A peridynamic model of degradation in concrete [Conference Presenation]. https://doi.org/10.2172/1883520 Publication ID: 79523
  • Ilgen, A., Choens, R., Wilson, J., & Wilson, J. (2021). Subcritical Fracturing of Calcite Single Crystals and Grain Packs [Conference Presenation]. https://doi.org/10.2172/1877509 Publication ID: 79101
  • Jones, R.E., Rimsza, J.M., Trageser, J., Hogancamp, J., & Hogancamp, J. (2021). Simulation of hardened cement degradation and estimation of uncertainty in predicted failure times with peridynamics. Construction and Building Materials, 286. https://doi.org/10.1016/j.conbuildmat.2021.122927 Publication ID: 77906
  • Torrence, C., Rimsza, J.M., Jones, R.E., Trageser, J., & Trageser, J. (2021). Determination of Influential Parameters on Concrete Fracture using Peridynamics [Conference Presenation]. https://doi.org/10.2172/1873465 Publication ID: 78894
  • Bauer, S., Choens, R., Kibikas, W., Shalev, E., Lyakhovsky, V., & Lyakhovsky, V. (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal in Israel [Conference Presenation]. https://doi.org/10.2172/1874554 Publication ID: 78933
  • Rimsza, J.M., Chapman, K., Nenoff, T.M., & Nenoff, T.M. (2021). Energetics and Structure of Ag-Water Clusters Formed in Mordenite [Conference Presenation]. https://doi.org/10.2172/1884179 Publication ID: 78798
  • Vogel, D., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2021). Prediction of Reactive Nitrous Acid Formation in Rare-Earth MOFs via ab initio Molecular Dynamics. Angewandte Chemie – International Edition, 60(20), pp. 11514-11522. https://doi.org/10.1002/anie.202102956 Publication ID: 77886
  • Rimsza, J.M., Chackerian, S.C.B., Boyle, T., Hernandez-Sanchez, B.A., & Hernandez-Sanchez, B.A. (2021). Stability Evaluation of Candidate Precursors for Chemical Vapor Deposition of Hafnium Diboride (HfB2). ACS Omega, 6(17), pp. 11404-11410. https://doi.org/10.1021/acsomega.1c00391 Publication ID: 75440
  • Bauer, S., Choens, R., Kibikas, W., Shalev, E., & Shalev, E. (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal [Conference Presenation]. https://doi.org/10.2172/1870575 Publication ID: 78636
  • Heath, J., Kuhlman, K., Broome, S., Wilson, J., Malama, B., & Malama, B. (2021). Heterogeneous multiphase flow properties of volcanic rocks and implications for noble gas transport from underground nuclear explosions. Vadose Zone Journal, 20(3). https://doi.org/10.1002/vzj2.20123 Publication ID: 77813
  • Torrence, C., Rimsza, J.M., Jones, R.E., Trageser, J., & Trageser, J. (2021). Relationships between concrete morphology and fracture behavior [Presentation]. https://www.osti.gov/biblio/1870094 Publication ID: 78584
  • Trageser, J., Jones, R.E., Rimsza, J.M., Hogancamp, J., & Hogancamp, J. (2021). Modeling of concrete degradation with peridynamics [Conference Presenation]. https://doi.org/10.2172/1863520 Publication ID: 78086
  • Ilgen, A., Leung, K., Kabengi, N., & Kabengi, N. (2021). Adsorption of lanthanides at nanoconfined silica- and alumina-water interfaces [Conference Presenation]. https://doi.org/10.2172/1863188 Publication ID: 78021
  • Senanayake, H., Greathouse, J.A., Ilgen, A., Thompson, W., & Thompson, W. (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores [Conference Presenation]. https://doi.org/10.2172/1877812 Publication ID: 78043
  • Ilgen, A. (2021). Environmental Interfaces [Presentation]. https://www.osti.gov/biblio/1866325 Publication ID: 78300
  • Grutzik, S., Diebold, T., Strong, K., & Strong, K. (2021). Statistical Prediction of Static Fatigue Lifetime in Ceramic and Glass [Conference Presenation]. https://doi.org/10.2172/1866549 Publication ID: 78322
  • Leung, K., Ilgen, A., Criscenti, L.J., & Criscenti, L.J. (2021). Interplay of physically different properties leading to challenges in separating lanthanide cations – anab initiomolecular dynamics and experimental study. Physical Chemistry Chemical Physics, 23(10), pp. 5750-5759. https://doi.org/10.1039/d1cp00031d Publication ID: 77422
  • Senanayake, H.S., Greathouse, J.A., Ilgen, A., Thompson, W.H., & Thompson, W.H. (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores. Journal of Chemical Physics, 154(10). https://doi.org/10.1063/5.0040739 Publication ID: 77445
  • Bauer, S., Choens, R., Kibikas, W., Shalev, E., Lyakhosky, V., & Lyakhosky, V. (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal [Conference Paper]. https://www.osti.gov/biblio/1855708 Publication ID: 77594
  • Bauer, S., Choens, R., Kibikas, W., Shalev, E., Lyakhosky, V., & Lyakhosky, V. (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal [Conference Paper]. https://www.osti.gov/biblio/1854318 Publication ID: 77459
  • Rimsza, J.M., Walder, B., Alam, T.M., & Alam, T.M. (2021). Influence of Polymorphs and Local Defect Structures on NMR Parameters of Graphite Fluorides. Journal of Physical Chemistry C, 125(4), pp. 2699-2712. https://doi.org/10.1021/acs.jpcc.0c09957 Publication ID: 75104
  • Grutzik, S., Aduloju, S., Truster, T., Reedy, E.D., & Reedy, E.D. (2021). Residually Stressed Bimaterial Beam Specimen for Measuring Environmentally Assisted Crack Growth. Experimental Mechanics, 61(2), pp. 411-418. https://doi.org/10.1007/s11340-020-00659-5 Publication ID: 74953
  • Ilgen, A. (2021). Chemical controls on the propagation and healing of subcritical fractures [Presentation]. https://www.osti.gov/biblio/1854677 Publication ID: 75063
  • Rimsza, J.M., Sorte, E.G., Alam, T.M., & Alam, T.M. (2020). Computational and Experimental Characterization of Intermediate Amorphous Phases in Geological Materials. https://doi.org/10.2172/1734484 Publication ID: 59045
  • Rimsza, J.M., Trageser, J., Jones, R.E., Mitchell, C., Pyrak-Nolte, L., & Pyrak-Nolte, L. (2020). Modeling Drying of Cement-Clay Composites with Non-Local Peridynamics [Conference Presenation]. https://doi.org/10.2172/1834681 Publication ID: 72059
  • Warren, M., Bean, J.E., Martinez, M.J., Kucala, A., Broome, S., Wilson, J., Yoon, H., & Yoon, H. (2020). Computational simulation of coupled poromechanical processes in deformable fractured and porous media [Conference Poster]. https://doi.org/10.2172/1833170 Publication ID: 71950
  • Ilgen, A., Kabengi, N., Leung, K., & Leung, K. (2020). Interfacial chemistry in geologic nanopores [Conference Presenation]. https://doi.org/10.2172/1833506 Publication ID: 71977
  • Ilgen, A., Kabengi, N., Leung, K., & Leung, K. (2020). Interfacial chemistry in geologic nanopores (condensed version) [Conference Presenation]. https://doi.org/10.2172/1833507 Publication ID: 71978
  • Trageser, J., Rimsza, J.M., Jones, R.E., Pyrak-Nolte, L., Mitchell, C., & Mitchell, C. (2020). Evaluation of Fracture in Cement-Clay Systems trhough Application of Non-Local Peridynamics [Conference Presenation]. https://doi.org/10.2172/1882332 Publication ID: 71807
  • Kuhlman, K., Mills, M., Jayne, R., Herrick, C., Choens, R., Nemer, M., Heath, J., Matteo, E., Xiong, Y., Otto, S., Dozier, B., Weaver, D., Stauffer, P., Guiltinan, E., Boukhalfa, H., Rahn, T., Wu, Y., Rutqvist, J., Hu, M., Crandall, D., & Crandall, D. (2020). First-Round Testing of the Brine Availability Test in Salt (BATS) at the Waste Isolation Pilot Plant (WIPP) [Conference Poster]. https://doi.org/10.2172/1832669 Publication ID: 71838
  • Choens, R., Kuhlman, K., Herrick, C., Otto, S., Dozier, B., & Dozier, B. (2020). Thermally induced acoustic emissions in salt at the Waste Isolation Pilot Plant [Conference Poster]. https://doi.org/10.2172/1832671 Publication ID: 71859
  • Nenoff, T.M., Rimsza, J.M., Chapman, K., & Chapman, K. (2020). IN-SITU PDF/DRIFTS STUDY OF THE ROLE OF WATER IN AG PARTICLE FORMATION IN ZEOLITES [Conference Presenation]. https://doi.org/10.2172/1830076 Publication ID: 71645
  • Bauer, S., Choens, R., Homel, M., Antoun, T., Shalev, E., Lyakhovsky, V., & Lyakhovsky, V. (2020). WM1: Borehole Mechanical Stability [Presentation]. https://www.osti.gov/biblio/1830095 Publication ID: 71653
  • Bull, D., Frederick, J., Mota, A., Jones, B., Tezaur, I., Flanary, C., Choens, R., Ward Jones, M., Eymold, W., Jones, C., Kasper, J., Bristol, E., McClelland, J., Brown, E., & Brown, E. (2020). Initial Validation Results for the Arctic Coastal Erosion (ACE) Model [Conference Presenation]. https://doi.org/10.2172/1832733 Publication ID: 71913
  • Walder, B., Alam, T.M., Rimsza, J.M., & Rimsza, J.M. (2020). Penetrating the layers: (CF)n and lithium electrochemistry [Conference Presenation]. https://doi.org/10.2172/1829236 Publication ID: 71502
  • Newell, P., Schuler, L., Ilgen, A., & Ilgen, A. (2020). Understanding Chemically-Assisted Fracture in Porous Media Using Phase-Filed Fracture Technique [Conference Proceeding]. https://www.osti.gov/biblio/1826984 Publication ID: 71327
  • Trageser, J., Jones, R.E., Rimsza, J.M., Hogancamp, J., & Hogancamp, J. (2020). Modeling Degradation in Concrete via Peridynamics [Conference Poster]. https://www.osti.gov/biblio/1823238 Publication ID: 71032
  • Rimsza, J.M., Mahadevan, T., Deng, L., Du, J., & Du, J. (2020). Atomistic Computer Simulations of Glass-Water Interactions. https://www.osti.gov/biblio/1737522 Publication ID: 74881
  • Feldman, J., Paul, M., Xu, G., Rademacher, D.X., Wilson, J., Nenoff, T.M., & Nenoff, T.M. (2020). Effects of natural zeolites on field-scale geologic noble gas transport. Journal of Environmental Radioactivity, 220-221. https://doi.org/10.1016/j.jenvrad.2020.106279 Publication ID: 73408
  • Nenoff, T.M., Rimsza, J.M., Chapman, K., chen , Z., & chen , Z. (2020). In-situ PDF/DRIFTS Study of Nanoparticle Formation in Zeolites [Conference Poster]. https://www.osti.gov/biblio/1813914 Publication ID: 74532
  • Grutzik, S., Strong, K., Diebold, T., Carmichael, J., DiAntonio, C., Chavez, T., & Chavez, T. (2020). R-Curve Measurements of silicon nitride glass ceramic and PZT [Conference Poster]. https://www.osti.gov/biblio/1814111 Publication ID: 74555
  • Ilgen, A., Harvey, J., Knight, A., Yoon, H., Martinez, M.J., & Martinez, M.J. (2020). Fractionation of stable strontium isotopes 86Sr/87Sr/88Sr during adsorption on aluminum and iron oxides and clay minerals [Conference Poster]. https://www.osti.gov/biblio/1812587 Publication ID: 74414
  • Bull, D., Frederick, J., Mota, A., Jones, B., Tezaur, I., Flanary, C., Choens, R., Jones, M., Eymold, W., Jones, C., Kasper, J., Bristol, E., McClelland, J., Brown, E., & Brown, E. (2020). Initial Validation Results for the Arctic Coastal Erosion (ACE) Model [Conference Poster]. https://www.osti.gov/biblio/1811816 Publication ID: 74293
  • Rimsza, J.M., Du, J., & Du, J. (2020). Atomistic computer simulations of dissolution of inorganic glasses [Conference Poster]. https://www.osti.gov/biblio/1811430 Publication ID: 74235
  • Leung, K., Ilgen, A., & Ilgen, A. (2020). Ab initio Molecular Dynamics Simulations of Rare Earth (III) Ions Desorption from Silica Surfaces [Conference Poster]. https://www.osti.gov/biblio/1807333 Publication ID: 73678
  • Rimsza, J.M., Jones, R.E., Trageser, J., Hogancamp, J., & Hogancamp, J. (2020). Peridynamics Modeling of Cement Fracture During Degradation [Presentation]. https://www.osti.gov/biblio/1783735 Publication ID: 73500
  • Mota, A., Frederick, J., Choens, R., Bull, D., Tezaur, I., & Tezaur, I. (2020). Development of a strongly-coupled thermo-mechanical model of permafrost for the simulation of Arctic coastal erosion [Conference Poster]. https://www.osti.gov/biblio/1783653 Publication ID: 73533
  • Choens, R.C., Ilgen, A., Espinoza, D.N., Aman, M., Wilson, J., Dewers, T., & Dewers, T. (2020). Impacts on mechanical strength of chemical reactions induced by hydrous supercritical CO2 in Boise Sandstone. International Journal of Greenhouse Gas Control, 95. https://doi.org/10.1016/j.ijggc.2020.102982 Publication ID: 72622
  • Rimsza, J.M., Kuhlman, K., & Kuhlman, K. (2020). Surface Energies and Structure of Salt-Brine Interfaces. Langmuir, 36(9), pp. 2482-2491. https://doi.org/10.1021/acs.langmuir.9b03172 Publication ID: 73326
  • Henkelis, S., Vogel, D., Huber, D., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2020). Unique Optical and Electronic Effects of RE-DOBDC MOFs with Acid Gas Adsorption [Presentation]. https://www.osti.gov/biblio/1770831 Publication ID: 73021
  • Henkelis, S., Vogel, D., Rimsza, J.M., Huber, D., Nenoff, T.M., & Nenoff, T.M. (2020). Selectivity and Stability of RE-DOBDC MOFs and their use in the Optical and Magnetic Detection of Acid Gases [Conference Poster]. https://doi.org/10.1021/scimeetings.0c01580 Publication ID: 73022
  • Rimsza, J.M., Vogel, D., Henkelis, S., Nenoff, T.M., & Nenoff, T.M. (2020). DFT and AIMD Simulation of Rare Earth (RE) – DOBDC MOFs [Presentation]. https://www.osti.gov/biblio/1770847 Publication ID: 73035
  • Nenoff, T.M., Rimsza, J.M., Heneklis, S., & Heneklis, S. (2020). Rare Earth (RE) – DOBDC MOFs [Presentation]. https://www.osti.gov/biblio/1772209 Publication ID: 73093
  • Nenoff, T.M., Henkelis, S., Vogel, D., Rimsza, J.M., Page, K., Lively , R., & Lively , R. (2020). Mixed Caustic Acid Gas Stability and Selectivity in Rare Earth DOBDC MOFs [Conference Poster]. https://www.osti.gov/biblio/1772210 Publication ID: 73094
  • Nenoff, T.M., Rimsza, J.M., Chapman, K., & Chapman, K. (2020). IN-SITU STUDY OF NANOPARTICLE FORMATION IN ZEOLITES [Conference Poster]. https://www.osti.gov/biblio/1772211 Publication ID: 73095
  • Walder, B., Rimsza, J.M., Alam, T.M., & Alam, T.M. (2020). Characterization of structural heterogeneity in carbon fluorides [Conference Poster]. https://www.osti.gov/biblio/1769553 Publication ID: 72912
  • Rimsza, J.M., Chapman, K.W., Nenoff, T.M., & Nenoff, T.M. (2020). Energetics and Structure of Ag-Water Clusters Formed in Mordenite. Journal of Physical Chemistry C, 124(8), pp. 4517-4524. https://doi.org/10.1021/acs.jpcc.9b08983 Publication ID: 73325
  • Sorte, E.G., Rimsza, J.M., Alam, T.M., & Alam, T.M. (2020). Computational and experimental 1H-NMR study of hydrated Mg-based minerals. Molecules, 25(4). https://doi.org/10.3390/molecules25040933 Publication ID: 72664
  • Rimsza, J.M., Vogel, D., Henkelis, S., Sava Gallis, D., Nenoff, T.M., & Nenoff, T.M. (2020). Control of Optical Response of Rare Earth Metal Organic Frameworks [Presentation]. https://www.osti.gov/biblio/1807191 Publication ID: 72894
  • Vogel, D., Henkelis, S., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2020). Atomistic Characterization and Design of Rare Earth Metal-Organic Frameworks for Acid-Gas Separation [Conference Poster]. https://www.osti.gov/biblio/1764781 Publication ID: 72424
  • Vogel, D., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2020). Tuned Hydrogen Bonding in Rare-Earth Metal-Organic Frameworks for Design of Optical and Electronic Properties: An Exemplar Study of Y-2,5-Dihydroxyterephthalic Acid. ACS Applied Materials and Interfaces, 12(4), pp. 4531-4539. https://doi.org/10.1021/acsami.9b20513 Publication ID: 72425
  • Nenoff, T.M., Henkelis, S., Vogel, D., Rimsza, J.M., Small, L., Lively, R., page, K., & page, K. (2020). Acid Gas Stability Selectivity and Sensing with Rare Earth DOBDC MOFs [Conference Poster]. https://www.osti.gov/biblio/1762561 Publication ID: 70798
  • Nenoff, T.M., vogel, J., Henkelis, S., Rimsza, J.M., Sava Gallis, D., & Sava Gallis, D. (2020). Acid Gas Stability and Selectivity ofRare Earth – DOBDC MOFs [Conference Poster]. https://www.osti.gov/biblio/1764334 Publication ID: 71376
  • Nenoff, T.M., Rimsza, J.M., vogel, J., Henkelis, S., Sava Gallis, D., & Sava Gallis, D. (2020). Acid Gas Stability and Selectivity of Rare Earth – DOBDC MOFs [Conference Poster]. https://www.osti.gov/biblio/1764350 Publication ID: 71378
  • Henkelis, S., Vogel, D., Huber, D., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2020). Unique Optical and Electronic Effects of RE-DOBDC MOFs with Acid Gas Adsorption [Conference Poster]. https://www.osti.gov/biblio/1763270 Publication ID: 70879
  • Vogel, D., Henkelis, S., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2020). Structural and Optical Response of Complex Mixed Gas Dynamics in Rare Earth Metal-Organic Frameworks [Conference Poster]. https://doi.org/10.1021/scimeetings.0c05236 Publication ID: 70881
  • Sanborn, B., Song, B., Susan, D., Johnson, K., Dabling, J., Carroll, J.D., Brink, A.R., Grutzik, S., Kustas, A., & Kustas, A. (2020). Dynamic Tensile Behavior of Soft Ferromagnetic Alloy Fe-Co-2V [Conference Poster]. Conference Proceedings of the Society for Experimental Mechanics Series. https://doi.org/10.1007/978-3-030-30021-0_1 Publication ID: 68834
  • Grutzik, S. (2019). ATA/1558 InterchangeBrittle fracture: Drivers capabilities and needs [Presentation]. https://www.osti.gov/biblio/1646400 Publication ID: 66649
  • Choens, R., Wilson, J., Ilgen, A., & Ilgen, A. (2019). Chemical controls on granular compaction in calcite [Conference Poster]. https://www.osti.gov/biblio/1643475 Publication ID: 66723
  • Matthew, T., Mota, A., Jones, B., Choens, R., Frederick, J., Bull, D., & Bull, D. (2019). Bluff geometry and material variability influence stress states relevant to coastal permafrost bluff failure [Conference Poster]. https://www.osti.gov/biblio/1643469 Publication ID: 66727
  • Bristol, E., Connolly, C., McClelland, J., Lorenson, T., Richmond, B., Ilgen, A., Choens, R., Bull, D., Kanevskiy, M., Iwahana, G., Jones, B., & Jones, B. (2019). Geochemical characterization of eroding coastal permafrost and organic matter fluxes to the Beaufort Sea near Drew Point Alaska [Conference Poster]. https://www.osti.gov/biblio/1643470 Publication ID: 66728
  • Bull, D., Bristol, E., Choens, R., Connolly, C., Frederick, J., Jones, B., Jones, C., Kasper, J., McClelland, J., Mota, A., Namachivayam, S., Thomas, M., & Thomas, M. (2019). Development of a Tightly Coupled Multi-Physics Numerical Model for an Event-Based Understanding of Arctic Coastal Erosion [Conference Poster]. https://www.osti.gov/biblio/1643462 Publication ID: 66741
  • Henkelis, S., Vogel, D., Rimsza, J.M., Huber, D., Nenoff, T.M., & Nenoff, T.M. (2019). Selectivity and Stability of RE-DOBDC MOFs and their use in the Optical and Magnetic Detection of Acid Gases [Conference Poster]. https://doi.org/10.1021/scimeetings.0c01580 Publication ID: 66801
  • Rimsza, J.M., Foiles, S., Michael, J., Mackie, W., Larson, K., & Larson, K. (2019). Role of defects on the surface properties of HfC. Applied Surface Science, 495. https://doi.org/10.1016/j.apsusc.2019.07.242 Publication ID: 70396
  • Sava Gallis, D., Vogel, D., Vincent, G.A., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2019). NOx Adsorption and Optical Detection in Rare Earth Metal-Organic Frameworks. ACS Applied Materials and Interfaces, 11(46), pp. 43270-43277. https://doi.org/10.1021/acsami.9b16470 Publication ID: 64981
  • Bauer, S., Choens, R., Homel, M., Tarabay, A., Shalev, E., Lyakhovsky, V., Levin, H., Oren, G., & Oren, G. (2019). Thermal Hydrological and Mechanical (THM) Modelling [Conference Poster]. https://www.osti.gov/biblio/1643124 Publication ID: 66170
  • Vogel, D., Henkelis, S., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2019). Structural and Optical Response of Complex Mixed Gas Dynamics in Rare Earth Metal-Organic Frameworks [Conference Poster]. https://www.osti.gov/biblio/1643604 Publication ID: 66513
  • Song, B., Sanborn, B., Susan, D., Johnson, K., Dabling, J., Carroll, J.D., Brink, A.R., Grutzik, S., Kustas, A., & Kustas, A. (2019). Correction of specimen strain measurement in Kolsky tension bar experiments on work-hardening materials. International Journal of Impact Engineering, 132. https://doi.org/10.1016/j.ijimpeng.2019.103328 Publication ID: 67441
  • Jones, R.E., Rimsza, J.M., Littlewood, D., LaForce, T., & LaForce, T. (2019). Modeling of Multiphysics Crack Growth in Cement [Conference Poster]. https://www.osti.gov/biblio/1643056 Publication ID: 66021
  • Rimsza, J.M. (2019). NOx Adsorption and Optical Detection by Rare Earth Metal-Organic Frameworks (RE-MOFs) [Presentation]. https://www.osti.gov/biblio/1646076 Publication ID: 65522
  • Grutzik, S., Strong, K., Dai, S., & Dai, S. (2019). Investigation of R-Curve Behavior in Glass Ceramic Materials. https://doi.org/10.2172/1568986 Publication ID: 65281
  • Henkelis, S., Sava Gallis, D., Garibay, G., Vogel, D., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs [Conference Poster]. https://www.osti.gov/biblio/1641931 Publication ID: 64773
  • Rimsza, J.M., Kuhlman, K., & Kuhlman, K. (2019). Surface Structure and Energetics at the Salt-Brine Interface [Conference Poster]. https://www.osti.gov/biblio/1642657 Publication ID: 65356
  • Grutzik, S. (2019). Sandia National Laboratories Information Session [Presentation]. https://www.osti.gov/biblio/1645937 Publication ID: 64874
  • Wilson, M., Grutzik, S., Chandross, M., & Chandross, M. (2019). Continuum stress intensity factors from atomistic fracture simulations. Computer Methods in Applied Mechanics and Engineering, 354, pp. 732-749. https://doi.org/10.1016/j.cma.2019.05.050 Publication ID: 69249
  • Vogel, D., Sava Gallis, D., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2019). Electronic and Structural Response of Rare-Earth Metal-Organic Frameworks with Acid Gases [Conference Poster]. https://www.osti.gov/biblio/1642006 Publication ID: 64909
  • Henkelis, S., Sava Gallis, D., Garibay, G., Vogel, D., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs [Conference Poster]. https://www.osti.gov/biblio/1642030 Publication ID: 64948
  • Strong, K., Grutzik, S., & Grutzik, S. (2019). Reliability of Components that Contain Brittle Materials [Conference Poster]. https://www.osti.gov/biblio/1642031 Publication ID: 64950
  • Vogel, D., Sava Gallis, D., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2019). Electronic and Structural Response of Rare-Earth Metal-Organic Frameworks with Acid Gases [Conference Poster]. https://www.osti.gov/biblio/1641634 Publication ID: 70455
  • Nenoff, T.M., Henkelis, S., Sava Gallis, D., Vogel, A., Rimsza, J.M., Garibay, G., & Garibay, G. (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs [Conference Poster]. https://www.osti.gov/biblio/1641635 Publication ID: 70456
  • Yoon, H., Martinez, M.J., Ilgen, A., Knight, A., Choens, R., & Choens, R. (2019). Microfluidics applications for calcium carbonate precipitation and dissolution and Sr isotopic fractionation [Conference Poster]. https://www.osti.gov/biblio/1641638 Publication ID: 70462
  • Ilgen, A., Loera, L., Knight, A., Ilani-Kashkouli, P., Leung, K., Kabengi, N., & Kabengi, N. (2019). Interfacial chemistry of lanthanides under nano-scale confinement [Conference Poster]. https://www.osti.gov/biblio/1641654 Publication ID: 70484
  • Criscenti, L.J., Rimsza, J.M., Jones, R.E., & Jones, R.E. (2019). Molecular Simulation of Geochemical Reactions in Subcritical Fractures [Conference Poster]. https://www.osti.gov/biblio/1641682 Publication ID: 70541
  • Sanborn, B., Song, B., Susan, D., Johnson, K., Dabling, J., Carroll, J.D., Brink, A.R., Grutzik, S., Kustas, A., & Kustas, A. (2019). Dynamic Temperature-Dependent Tensile Behavior of Soft Ferromagnetic Alloy Fe-Co-2V [Conference Poster]. https://www.osti.gov/biblio/1641824 Publication ID: 64668
  • Bull, D., Frederick, J., Mota, A., Thomas, M., Jones, C., Jones, B., Kasper, J., McClelland, J., Bristol, E., Choens, R., & Choens, R. (2019). A Predictive Model for Arctic Coastal Erosion [Presentation]. https://www.osti.gov/biblio/1645732 Publication ID: 70334
  • Rimsza, J.M., Vogel, D., Sava Gallis, D., Nenoff, T.M., & Nenoff, T.M. (2019). Acid Gas Adsorption and Structural Characterization of RE-DOBDC MOFs via Density Functional Theory [Conference Poster]. https://www.osti.gov/biblio/1641710 Publication ID: 70592
  • Mota, A., Frederick, J., Bull, D., Choens, R., & Choens, R. (2019). Strongly-coupled thermo-mechanical model of permafrost for the simulation of Arctic coastal erosion [Conference Poster]. https://www.osti.gov/biblio/1641135 Publication ID: 69689
  • Sears, N., Rimsza, J.M., & Rimsza, J.M. (2019). Stability of Li-Al-H Molecules for Battery Applications [Presentation]. https://www.osti.gov/biblio/1645657 Publication ID: 70015
  • Nenoff, T.M., Sava Gallis, D., Rimsza, J.M., Vogel, A., Garibay, G., & Garibay, G. (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs [Conference Poster]. https://www.osti.gov/biblio/1641037 Publication ID: 69551
  • Ilgen, A., Knight, A., Ilani-Kashkouli, P., Kabengi, N., Harvey, J., Greathouse, J., Criscenti, L.J., Leung, K., Ho, T., & Ho, T. (2019). Adsorption and Coordination Environment of Cations under Nano-scale Confinement [Presentation]. https://www.osti.gov/biblio/1645681 Publication ID: 70123
  • Nenoff, T.M., Rimsza, J.M., Sava Gallis, D., Block, K., Vincent, G., Vogel, D., & Vogel, D. (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs [Presentation]. https://www.osti.gov/biblio/1645680 Publication ID: 70129
  • Bauer, S., Wilson, J., Matteo, E., Bettin, G., & Bettin, G. (2019). Permeability and deformation mechanisms during triaxial testing of early-age cement [Conference Poster]. https://www.osti.gov/biblio/1640784 Publication ID: 69167
  • Stershic, A., Stender, M., Grutzik, S., & Grutzik, S. (2019). Sandia Fracture Models for Mixed-Mode Brittle Fracture [Conference Poster]. https://www.osti.gov/biblio/1640590 Publication ID: 69004
  • Rimsza, J.M., Jones, R.E., Criscenti, L.J., & Criscenti, L.J. (2019). Mechanisms of Chemo-Mechanical Fracture of Silica in Aqueous Electrolyte Solutions [Conference Poster]. https://www.osti.gov/biblio/1640671 Publication ID: 69033
  • Sanborn, B., Song, B., Susan, D., Johnson, K., Dabling, J., Carroll, J.D., Brink, A.R., Grutzik, S., Kustas, A., & Kustas, A. (2019). Dynamic Temperature-Dependent Tensile Behavior of Soft Ferromagnetic Alloy Fe-Co-2V [Conference Poster]. https://www.osti.gov/biblio/1640748 Publication ID: 69115
  • Bauer, S., Choens, R., Shalev, E., Homel, M., Antoun, T., Levin, H., Oren, G., Lyakhosky, V., & Lyakhosky, V. (2019). Thermal mechanical and hydrologic characterization for model development and modeling of deep borehole disposal of nuclear waste in Israel [Conference Poster]. https://www.osti.gov/biblio/1640081 Publication ID: 68632
  • Rimsza, J.M. (2019). Peridynamics+PFLOTRAN coupling for predicting cement fracture in aqueous conditions [Presentation]. https://www.osti.gov/biblio/1648786 Publication ID: 68458
  • Nenoff, T.M., Sava Gallis, D., vogel, D., Torres, G., Rimsza, J.M., Page, K., Lively, R., & Lively, R. (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs [Presentation]. https://www.osti.gov/biblio/1645293 Publication ID: 68732
  • Nenoff, T.M., vogel, D., Rimsza, J.M., gallis, D., Garibay, G., & Garibay, G. (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs [Conference Poster]. https://www.osti.gov/biblio/1640139 Publication ID: 68733
  • Song, B., Sanborn, B., Susan, D., Johnson, K., Dabling, J., Carroll, J.D., Brink, A.R., Grutzik, S., Kustas, A., & Kustas, A. (2019). Correction of Specimen Strain Measurement in Kolsky Tension Bar Experiments on Linear Work-hardening Materials [Conference Poster]. https://www.osti.gov/biblio/1640203 Publication ID: 68828
  • Grutzik, S., Reedy, E.D., & Reedy, E.D. (2019). Experiments and modeling of post-yield deformation in Epon 828/DEA and 828/T403 epoxy [Conference Poster]. https://www.osti.gov/biblio/1640214 Publication ID: 68844
  • Grutzik, S., Teague, M.C., & Teague, M.C. (2019). Full stress tensor measurement using fluorescence spectroscopy. Journal of Applied Physics, 125(15). https://doi.org/10.1063/1.5088584 Publication ID: 68042
  • Rimsza, J.M., Jones, R.E., Criscenti, L.J., & Criscenti, L.J. (2019). Mechanisms of silica fracture in aqueous electrolyte solutions. Frontiers in Materials, 6. https://doi.org/10.3389/fmats.2019.00079 Publication ID: 68545
  • Washington, R., Hutchinson, C., Griffith, D., Ilgen, A., & Ilgen, A. (2019). Interactions of 17β-Estradiol with Fe(II)-Activated Nontronite [Conference Poster]. https://www.osti.gov/biblio/1639742 Publication ID: 68120
  • Ilgen, A., Loera, L., Knight, A., Leung, K., & Leung, K. (2019). Using lanthanides to probe the interfacial chemistry of nano-scale pores [Conference Poster]. https://www.osti.gov/biblio/1639743 Publication ID: 68121
  • Ilgen, A. (2019). Chemical effects on fracture in calcite single crystals and in carbonate-rich shale [Conference Poster]. https://www.osti.gov/biblio/1639744 Publication ID: 68122
  • Greathouse, J.A., Criscenti, L.J., Ilgen, A., Leung, K., Knight, A., Ho, T., Harvey, J., & Harvey, J. (2019). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Conference Poster]. https://www.osti.gov/biblio/1639727 Publication ID: 68178
  • Payne, C., Criscenti, L.J., Matteo, E., Rimsza, J.M., Jones, R.E., & Jones, R.E. (2019). Chemical-mechanical effects on subcritical fracture initiation and propagation in fused quartz [Presentation]. https://www.osti.gov/biblio/1644933 Publication ID: 68185
  • Rimsza, J.M., Jones, R.E., Criscenti, L.J., & Criscenti, L.J. (2019). Mechanisms of Chemo-Mechanical Fracture of Silica in Aqueous Electrolyte Solutions [Conference Poster]. https://www.osti.gov/biblio/1639687 Publication ID: 67938
  • Wilson, M., Grutzik, S., Chandross, M., & Chandross, M. (2019). Continuum Stress Intensity Factors from Atomistic Fracture Simulations [Conference Poster]. https://doi.org/10.1016/j.cma.2019.05.050 Publication ID: 68340
  • Vogel, D., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2019). Density Functional Theory of Acid Gas Adsorption and Structural Characterization for Rare Earth-DOBDC MOFs [Conference Poster]. https://www.osti.gov/biblio/1639527 Publication ID: 67690
  • Ilgen, A., Loera, L., Knight, A., Ilani-Kashkouli, P., Leung, K., Kabengi, N., & Kabengi, N. (2019). Interfacial chemistry of lanthanides under nano-scale confinement [Conference Poster]. https://www.osti.gov/biblio/1639555 Publication ID: 67727
  • Ho, T., Wang, Y., Criscenti, L.J., Ilgen, A., & Ilgen, A. (2019). Molecular Simulation of the Multicomponent Interaction in Shale Nanopores [Conference Poster]. https://www.osti.gov/biblio/1639561 Publication ID: 67739
  • Vogel, D., Rimsza, J.M., Nenoff, T.M., & Nenoff, T.M. (2019). Density Functional Theory of RE-DOBDC MOFs for Acid Gas Adsorption and Structural Characterization [Presentation]. https://www.osti.gov/biblio/1644627 Publication ID: 67751
  • Johnson, K., Carroll, J.D., Song, B., Sanborn, B., Susan, D., Grutzik, S., Kustas, A., Brink, A.R., & Brink, A.R. (2019). Fe-Co-2V Soft Ferromagnetic Alloy Characterization and Constitutive Model Development [Conference Poster]. https://www.osti.gov/biblio/1639428 Publication ID: 67512
  • Knight, A., Illani-Kashkouli, P., Harvey, J., Greathouse, J.A., Ho, T., Kabengi, N., Ilgen, A., & Ilgen, A. (2019). Interfacial Reactions Driven by Nano-scale Confinement [Conference Poster]. https://www.osti.gov/biblio/1639605 Publication ID: 67829
  • Littlewood, D., Rimsza, J.M., Frederick, J., Jones, R.E., LaForce, T., & LaForce, T. (2019). Multiphysics Peridynamic Models for Crack Growth in Brittle Materials [Conference Poster]. https://www.osti.gov/biblio/1602633 Publication ID: 67181
  • Bristol, E., Connolly, C., McClelland, J., Lorenson, T., Richmond, B., Ilgen, A., Choens, R., Herrick, C., Bull, D., Kanevskiy, M., Iwahana, G., Jones, B., & Jones, B. (2019). Biogeochemistry of eroding soils along the Beaufort Sea coastline: Results from permafrost cores collected at Drew Point AK [Conference Poster]. https://www.osti.gov/biblio/1602934 Publication ID: 67198
  • Rimsza, J.M., Sorte, E.G., Alam, T.M., & Alam, T.M. (2019). Hydration and Hydroxylation of MgO in Solution: NMR Identification of Proton-Containing Intermediate Phases. ACS Omega, 4(1), pp. 1033-1044. https://doi.org/10.1021/acsomega.8b02705 Publication ID: 64939
  • Rimsza, J.M., Foiles, S., Michael, J., Mackie, W., Larson, K., & Larson, K. (2019). Role of Impurities on the Surface Properties of HfC [Conference Poster]. https://www.osti.gov/biblio/1598093 Publication ID: 64833
  • Vogel, D., Sava Gallis, D., Nenoff, T.M., Rimsza, J.M., & Rimsza, J.M. (2019). Structure and electronic properties of rare earth DOBDC metal-organic-frameworks. Physical Chemistry Chemical Physics, 21(41), pp. 23085-23093. https://doi.org/10.1039/C9CP04038B Publication ID: 65672
  • Jones, R.E., Tucker, W.C., Rimsza, J.M., Criscenti, L.J., & Criscenti, L.J. (2019). Atomic-scale interaction of a crack and an infiltrating fluid. Chemical Physics Letters: X, 1. https://doi.org/10.1016/j.cpletx.2018.100005 Publication ID: 67523
  • Criscenti, L.J., Rimsza, J.M., Matteo, E., Payne, C., Tucker, N., Jones, R.E., & Jones, R.E. (2018). Stress-Corrosion Fracture of Silica in Aqueous Solutions [Conference Poster]. https://www.osti.gov/biblio/1761354 Publication ID: 60481
  • Ho, T., Wang, Y., Ilgen, A., Criscenti, L.J., Tenney, C., & Tenney, C. (2018). Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel. Nanoscale, 10(42), pp. 19957-19963. https://doi.org/10.1039/C8NR06204H Publication ID: 59707
  • Wilson, M., Grutzik, S., Chandross, M., & Chandross, M. (2018). Continuum Stress Intensity Factors from Atomistic Fracture Simulations [Presentation]. https://doi.org/10.1016/j.cma.2019.05.050 Publication ID: 60182
  • Rimsza, J.M., Jones, R.E., Criscenti, L.J., & Criscenti, L.J. (2018). Chemical Effects on Subcritical Fracture in Silica From Molecular Dynamics Simulations. Journal of Geophysical Research: Solid Earth, 123(11), pp. 9341-9354. https://doi.org/10.1029/2018JB016120 Publication ID: 58945
  • Bauer, S., Choens, R., LaJeunesse, J.W., Shalev, E., Lyakhovsky, V., Oren, G., Levin, H., & Levin, H. (2018). Damage Induced by Excavation and Heat Release of a Radioactive Waste Repository [Presentation]. https://www.osti.gov/biblio/1761131 Publication ID: 60396
  • Ilgen, A. (2018). Chemical effects on fracture in calcite single crystals and in carbonate-rich shale [Conference Poster]. https://www.osti.gov/biblio/1592539 Publication ID: 59694
  • Ilgen, A., Loera, L., Knight, A., Leung, K., & Leung, K. (2018). Using lanthanides to probe the interfacial chemistry of nano-scale pores [Conference Poster]. https://www.osti.gov/biblio/1592617 Publication ID: 59709
  • Rimsza, J.M., Sorte, E.G., Alam, T.M., & Alam, T.M. (2018). NMR Characterization of MgO Engineered Barrier Materials [Conference Poster]. https://www.osti.gov/biblio/1890356 Publication ID: 59533
  • Wilson, M., Chandross, M., Grutzik, S., & Grutzik, S. (2018). Crack tip fields and location in molecular dynamics [Conference Poster]. https://www.osti.gov/biblio/1593033 Publication ID: 59864
  • Criscenti, L.J., Rimsza, J.M., Jones, R.E., Matteo, E., Payne, C., & Payne, C. (2018). Chemical-Mechanical Modeling of Subcritical-to-Critical Fracture in Geomaterials. https://doi.org/10.2172/1481559 Publication ID: 59869
  • Kuhlman, K., Lopez, C., Mills, M., Rimsza, J.M., Sassani, D., & Sassani, D. (2018). Evaluation of Spent Nuclear Fuel Disposition in Salt (FY18). https://doi.org/10.2172/1481605 Publication ID: 59422
  • Leung, K., Criscenti, L.J., Knight, A., Ilgen, A., Ho, T., Greathouse, J.A., & Greathouse, J.A. (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surfaces. Journal of Physical Chemistry Letters, 9(18), pp. 5379-5385. https://doi.org/10.1021/acs.jpclett.8b02173 Publication ID: 58839
  • Boyle, T., Farrell, J., Yonemoto, D.T., Sears, J.M., Rimsza, J.M., Perales, D., Bell, N., Cramer, R.E., Treadwell, L., Renehan, P., Adams, C.J., Bender, M.T., Crowley, W., & Crowley, W. (2018). Synthesis, Characterization, and Nanomaterials Generated from 6,6′-(((2-Hydroxyethyl)azanediyl)bis(methylene))bis(2,4-di- tert-butylphenol) Modified Group 4 Metal Alkoxides. Inorganic chemistry, 57(17), pp. 11264-11274. https://doi.org/10.1021/acs.inorgchem.8b01907 Publication ID: 58845
  • Choens, R., Ilgen, A., Jove-Colon, C., Wilson, J., Lee, M.Y., & Lee, M.Y. (2018). ChemoMechanical Controls on Induced Seismicity. https://doi.org/10.2172/1474256 Publication ID: 59078
  • Teague, M., Rodgers, T., Grutzik, S., Meserole, S., & Meserole, S. (2018). Characterization and Modeling of Microstructuctural Stresses in Alumina [Conference Poster]. https://www.osti.gov/biblio/1592315 Publication ID: 59102
  • Ilgen, A., Knight, A., Loera, L., & Loera, L. (2018). Probing nano-scale confinement effects with rare earth elements [Conference Poster]. https://www.osti.gov/biblio/1806782 Publication ID: 63764
  • Criscenti, L.J., Greathouse, J.A., Ilgen, A., Leung, K., Harvey, J., Ho, T., Knight, A., & Knight, A. (2018). Interfacial Chemistry Under Nanoconfinement [Conference Poster]. https://www.osti.gov/biblio/1582269 Publication ID: 63836
  • Alas, G., Sorte, E.G., Alam, T.M., Rimsza, J.M., & Rimsza, J.M. (2018). MgO Project [Presentation]. https://www.osti.gov/biblio/1581918 Publication ID: 63623
  • Knight, A., Knight, A., Ilgen, A., & Ilgen, A. (2018). Geochemistry in Nanopores [Conference Poster]. https://www.osti.gov/biblio/1582523 Publication ID: 63893
  • Ho, T., Wang, Y., Criscenti, L.J., Ilgen, A., & Ilgen, A. (2018). Molecular Simulation of Nanostructure Gas adsorption Swelling and Wettability of Kerogen [Conference Poster]. https://www.osti.gov/biblio/1581715 Publication ID: 63674
  • Ilgen, A., Criscenti, L.J., Greathouse, J.A., Leung, K., Knight, A., Ho, T., Harvey, J., Tigges, A., Loera, L., & Loera, L. (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Conference Poster]. https://www.osti.gov/biblio/1581943 Publication ID: 63705
  • Leung, K., Criscenti, L.J., Knight, A., Ilgen, A., Ho, T., Greathouse, J.A., & Greathouse, J.A. (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surface [Conference Poster]. https://doi.org/10.1021/acs.jpclett.8b02173 Publication ID: 63524
  • Ilgen, A., Criscenti, L.J., Greathouse, J.A., Leung, K., Knight, A., Ho, T., Harvey, J., Loera, L., & Loera, L. (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Conference Poster]. https://www.osti.gov/biblio/1570175 Publication ID: 63086
  • Jones, R.E., Criscenti, L.J., Rimsza, J.M., Zimmerman, J., & Zimmerman, J. (2018). Assessing the Fracture Strength of Geological and Related Materials in Fluid Environments via an Atomistically Based J-integral [Conference Poster]. https://www.osti.gov/biblio/1571887 Publication ID: 63418
  • Davis, H. (2018). Illumination for Spectroradiometric Monitoring of Indoor Algal Cultures [Presentation]. https://www.osti.gov/biblio/1806717 Publication ID: 63199
  • Knight, A., Kalugin, N., Coker, E., Ilgen, A., & Ilgen, A. (2018). Properties of Nano-scale Confined Water [Conference Poster]. https://www.osti.gov/biblio/1572930 Publication ID: 63460
  • Knight, A., Tigges, A., Ilgen, A., & Ilgen, A. (2018). Adsorption of copper (II) on mesoporous silica: the effect of nano-scale confinement. Geochemical Transactions, 19(1). https://doi.org/10.1186/s12932-018-0057-4 Publication ID: 64069
  • Jones, R.E., Rimsza, J.M., Criscenti, L.J., & Criscenti, L.J. (2018). An atomic-scale evaluation of the fracture toughness of silica glass. Journal of Physics Condensed Matter, 30(24). https://doi.org/10.1088/1361-648X/aac28b Publication ID: 58897
  • Criscenti, L.J., Rimsza, J.M., Matteo, E., Jones, R.E., & Jones, R.E. (2018). Coupled chemo-mechanical fracture in silica in aqueous solutions [Conference Poster]. https://www.osti.gov/biblio/1518546 Publication ID: 62214
  • Teague, M.C., Rodgers, T., Grutzik, S., Meserole, S., & Meserole, S. (2018). Characterization and modeling of microstructural stresses in alumina. Journal of the American Ceramic Society, 101(5), pp. 2155-2161. https://doi.org/10.1111/jace.15369 Publication ID: 59008
  • Grutzik, S., Reedy, E.D., & Reedy, E.D. (2018). Demonstration of hybrid crack kinking criterion [Conference Poster]. https://www.osti.gov/biblio/1524826 Publication ID: 62336
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June 8, 2023