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

Jessica Rimsza, Reese Jones, (2023). Fracture mechanisms of sodium silicate glasses International Journal of Applied Glass Science https://doi.org/10.1111/ijag.16594 Publication ID: 80878

Jessica Rimsza, T. Nenoff, Matthew Christian, Matthew Hurlock, (2022). Carbon Capture in Novel Porous Liquids https://doi.org/10.2172/1888616 Publication ID: 80250

Frank DelRio, Scott Grutzik, William Mook, Sara Dickens, Paul Kotula, Eric Hintsala, Douglas Stauffer, Brad Boyce, (2022). In-situ, nanoscale fracture toughness measurements for improved mechanical interfaces https://doi.org/10.2172/1885209 Publication ID: 80127

Jessica Rimsza, Kevin Strong, Michael Buche, Reese Jones, Craig Nakakura, Noah Weyrauch, Richard Brow, Jessica Duree, Kelly Stephens, Scott Grutzik, (2022). Stress Intensity Thresholds for Development of Reliable Brittle Materials https://doi.org/10.2172/1888358 Publication ID: 80238

Hongkyu Yoon, Alec Kucala, Kyung Chang, Mario Martinez, James Bean, T. Kadeethum, Maria Warren, Jennifer Wilson, Scott Broome, Lauren Stewart, Diana Estrada, Nicholas Bouklas, Jan Fuhg, (2022). Computational Analysis of Coupled Geoscience Processes in Fractured and Deformable Media https://doi.org/10.2172/1890064 Publication ID: 80248

Michael Buche, Meredith Silberstein, Scott Grutzik, (2022). Freely jointed chain models with extensible links Physical Review E https://doi.org/10.1103/physreve.106.024502 Publication ID: 80094

Matthew Christian, Keith Fritzsching, Jacob Harvey, Dorina Sava Gallis, T. Nenoff, Jessica Rimsza, (2022). Dramatic Enhancement of Rare-Earth Metal–Organic Framework Stability Via Metal Cluster Fluorination JACS Au https://doi.org/10.1021/jacsau.2c00259 Publication ID: 80068

Jessica Rimsza, Susan Henkelis, Lauren Rohwer, Dorina Sava Gallis, T. Nenoff, (2022). Crystal Prediction and Design of Tunable Light Emission in BTB-Based Metal-Organic Frameworks Advanced Optical Materials https://doi.org/10.1002/adom.202200058 Publication ID: 80856

Matthew Christian, T. Nenoff, Jessica Rimsza, (2022). Discovery of Complex Binding and Reaction Mechanisms from Ternary Gases in Rare Earth Metal–Organic Frameworks Chemistry – A European Journal https://doi.org/10.1002/chem.202201926 Publication ID: 80106

C. Torrence, Jeremy Trageser, Reese Jones, Jessica Rimsza, (2022). Sensitivity of the strength and toughness of concrete to the properties of the interfacial transition zone Construction and Building Materials https://doi.org/10.1016/j.conbuildmat.2022.126875 Publication ID: 80774

Jessica Rimsza, Anastasia Ilgen, (2022). Water Weakening of Calcium Oxide Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.2c01343 Publication ID: 80827

Kristopher Kuhlman, Melissa Mills, Jason Heath, Matthew Paul, Jennifer Wilson, John Bower, (2022). Parameter estimation from spontaneous imbibition into volcanic tuff Vadose Zone Journal https://doi.org/10.1002/vzj2.20188 Publication ID: 79959

Jessica Rimsza, Kristopher Kuhlman, (2021). Temperature and Pressure Dependence of Salt-Brine Dihedral Angles in the Subsurface Langmuir https://doi.org/10.1021/acs.langmuir.1c01836 Publication ID: 76596

Jessica Rimsza, Karena Chapman, T. Nenoff, (2021). Influence of Al location on formation of silver clusters in mordenite Microporous and Mesoporous Materials https://doi.org/10.1016/j.micromeso.2021.111401 Publication ID: 75831

Stephen Bauer, Robert Choens, William Kibikas, Jennifer Wilson, M. Homel, S. Achour, J. Huang, E. Shalev, V. Lyakhovsky, (2021). Borehole stability in the Ghareb formation https://www.osti.gov/servlets/purl/1897921 Publication ID: 76619

Scott Grutzik, (2021). Kinetic model for environmentally assisted crack growth threshold https://doi.org/10.2172/1900107 Publication ID: 76914

Jessica Rimsza, Craig Nakakura, Scott Grutzik, Kevin Strong, (2021). Atomistic Fracture Mechanisms in Sodium Silicates https://doi.org/10.2172/1900356 Publication ID: 76983

Jessica Rimsza, Susan Henkelis, Dorina Sava Gallis, Lauren Rohwer, T. Nenoff, (2021). Ligand-Based Tunable White Light Emissions in Non-REE MOF Structures https://www.osti.gov/servlets/purl/1890895 Publication ID: 76090

Matthew Christian, Dayton Vogel, T. Nenoff, Jessica Rimsza, (2021). Competitive Adsorption and Reactivity of Acid Gases in Rare Earth Metal Organic Frameworks https://www.osti.gov/servlets/purl/1890889 Publication ID: 76092

Jessica Rimsza, Anastasia Ilgen, (2021). Chemically Assisted Weakening of Calcium Oxide https://www.osti.gov/servlets/purl/1891071 Publication ID: 76124

T. Nenoff, Susan Henkelis, M. Rodriguez, Dayton Vogel, D. Rademacher, Jessica Rimsza, N. Valdez, Stephen Percival, (2021). Kinetically Controlled Linker Binding in Rare Earth-DOBDC MOFs, and its Effects on Acid Gas Adsorption https://www.osti.gov/servlets/purl/1891597 Publication ID: 76170

Jennifer Frederick, William Eymold, Alejandro Mota, Irina Tezaur, Benjamin Jones, Chris Flanary, Craig Jones, Matthew Thomas, Emily Bristol, Robert Choens, Melissa Jones Ward, Jeremy Kasper, Eloise Brown, James McClelland, Diana Bull, (2021). Demonstration of the ACE (Arctic Coastal Erosion) model at Drew Point, AK during a permafrost bluff block collapse event in summer 2018 https://doi.org/10.2172/1891599 Publication ID: 76178

Frank DelRio, Scott Grutzik, William Mook, Sara Dickens, Brad Boyce, Eric Hintsala, Douglas Stauffer, Robert Cook, (2021). In-situ, Nanoscale Fracture Toughness Measurements of Single-crystal Silicon https://doi.org/10.2172/1891971 Publication ID: 76217

Harold Lee, Alyssa Vallejos, Jessica Rimsza, Ringgold Marissa, Clare Davis-Wheeler, LaRico Treadwell, (2021). Synthesis, Characterization, and Performance of Coated Copper Nanoparticles in High Humidity and H2S Environments https://doi.org/10.2172/1895017 Publication ID: 76483

Jessica Rimsza, Reese Jones, Jeremy Trageser, Joshua Hogancamp, Christa Torrence, Cody Mitts, Chven Mitchell, Mahmoud Taha, Patience Raby, Richard Regueiro, Dhafer Jadaan, (2021). Integrated Multiphysics Modeling of Environmentally Assisted Brittle Fracture https://doi.org/10.2172/1821258 Publication ID: 75778

Susan Henkelis, Dayton Vogel, peter Metz, D. Rademacher, N. Valdez, M. Rodriguez, Jessica Rimsza, katherine page, T. Nenoff, (2021). Kinetically Controlled Linker Binding in RE-DOBDC MOFs, and its Predicted Effects on Acid Gas Adsorption https://doi.org/10.2172/1888717 Publication ID: 75853

Edward Matteo, Donald Conley, Stephen Verzi, Barry Roberts, Casey Doyle, Steven Sobolik, Samuel Gilletly, Stephen Bauer, L. Pyrak-Nolte, M. Reda Taha, J. Stormont, D. Crandall, Dylan Moriarty, Esther John, Jennifer Wilson, Giorgia Bettin, Joshua Hogancamp, S. Fernandez, I. Anwar, M. Abdellatef, D. Murcia, J. Bland, (2021). Advanced Detection of Wellbore Failure for Safe and Secure Utilization of Subsurface Infrastructure https://doi.org/10.2172/1820250 Publication ID: 75660

Anastasia Ilgen, Robert Choens, Andrew Knight, Jacob Harvey, Mario Martinez, Hongkyu Yoon, Jennifer Wilson, Melissa Mills, Qiaoyi Wang, Michael Gruenwald, Pania Newell, Louis Schuler, Haley Davis, (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

Jessica Rimsza, Scott Grutzik, (2021). Viscoelastic Relaxation in Silica via Reactive Molecular Dynamic Simulations https://doi.org/10.2172/1890846 Publication ID: 75993

Jessica Rimsza, Dayton Vogel, Matthew Christian, T. Nenoff, (2021). Mechanisms of Competitive Adsorption and Reactivity of Acid Gases in RE-DOBDC MOFs https://doi.org/10.2172/1889570 Publication ID: 75739

Kristopher Kuhlman, Melissa Mills, Richard Jayne, Edward Matteo, Courtney Herrick, Martin Nemer, Yongliang Xiong, Robert Choens, Matthew Paul, Phil Stauffer, Hakim Boukhalfa, Eric Guiltinan, Thom Rahn, Doug Weaver, Shawn Otto, Jon Davis, Jonny Rutqvist, Yuxin Wu, Mengsu Hu, Jiannan Wang, (2021). Brine Availability Test in Salt (BATS) FY21 Update https://doi.org/10.2172/1821547 Publication ID: 75508

Anastasia Ilgen, Robert Choens, Jennifer Wilson, (2021). Subcritical Fracturing of Calcite Single Crystals and Grain Packs https://doi.org/10.2172/1883052 Publication ID: 75292

Scott Grutzik, John Emery, Leah Appelhans, Christopher Moore, Samuel Subia, (2021). Multi-physics prediction of dielectric breakdown with a defect tolerant mindset https://www.osti.gov/servlets/purl/1888671 Publication ID: 75383

Kristopher Kuhlman, Melissa Mills, Jason Heath, Matthew Paul, Jennifer Wilson, John Bower, (2021). Spontaneous Imbibition Tests and Parameter Estimation in Volcanic Tuff https://doi.org/10.2172/1815348 Publication ID: 79751

Andrew Knight, Jacob Harvey, Anastasia Ilgen, (2021). The Combined Effects of Mg2+ and Sr2+ on Calcite Crystallization, Growth, and Incorporation Behavior https://doi.org/10.2172/1883459 Publication ID: 75229

Jeffery Greathouse, Tyler Duncan, Anastasia Ilgen, Jacob Harvey, Louise Criscenti, Andrew Knight, (2021). Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica Environmental Science: Nano https://doi.org/10.1039/d1en00066g Publication ID: 78696

Maria Warren, Alec Kucala, Mario Martinez, James Bean, Scott Broome, Jennifer Wilson, Hongkyu Yoon, (2021). Computational and Experimental Study of Permeability Changes under Confinement in Fractured Porous Media https://doi.org/10.2172/1884222 Publication ID: 79521

Jeremy Trageser, Jessica Rimsza, Reese Jones, Joshua Hogancamp, (2021). A peridynamic model of degradation in concrete https://doi.org/10.2172/1883520 Publication ID: 79523

Anastasia Ilgen, Robert Choens, Jennifer Wilson, (2021). Subcritical Fracturing of Calcite Single Crystals and Grain Packs https://doi.org/10.2172/1877509 Publication ID: 79101

Reese Jones, Jessica Rimsza, Jeremy Trageser, Joshua Hogancamp, (2021). Simulation of hardened cement degradation and estimation of uncertainty in predicted failure times with peridynamics Construction and Building Materials https://doi.org/10.1016/j.conbuildmat.2021.122927 Publication ID: 77906

Christa Torrence, Jessica Rimsza, Reese Jones, Jeremy Trageser, (2021). Determination of Influential Parameters on Concrete Fracture using Peridynamics https://doi.org/10.2172/1873465 Publication ID: 78894

Stephen Bauer, Robert Choens, William Kibikas, E. Shalev, V. Lyakhovsky, (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal in Israel https://doi.org/10.2172/1874554 Publication ID: 78933

Jessica Rimsza, Karena Chapman, T. Nenoff, (2021). Energetics and Structure of Ag-Water Clusters Formed in Mordenite https://doi.org/10.2172/1884179 Publication ID: 78798

Dayton Vogel, Jessica Rimsza, T. Nenoff, (2021). Prediction of Reactive Nitrous Acid Formation in Rare-Earth MOFs via ab initio Molecular Dynamics Angewandte Chemie – International Edition https://doi.org/10.1002/anie.202102956 Publication ID: 77886

Jessica Rimsza, Samuel Chackerian, Timothy Boyle, Bernadette Hernandez-Sanchez, (2021). Stability Evaluation of Candidate Precursors for Chemical Vapor Deposition of Hafnium Diboride (HfB2) ACS Omega https://doi.org/10.1021/acsomega.1c00391 Publication ID: 75440

Stephen Bauer, Robert Choens, William Kibikas, E. Shalev, (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal https://doi.org/10.2172/1870575 Publication ID: 78636

Jason Heath, Kristopher Kuhlman, Scott Broome, Jennifer Wilson, Bwalya Malama, (2021). Heterogeneous multiphase flow properties of volcanic rocks and implications for noble gas transport from underground nuclear explosions Vadose Zone Journal https://doi.org/10.1002/vzj2.20123 Publication ID: 77813

Christa Torrence, Jessica Rimsza, Reese Jones, Jeremy Trageser, (2021). Relationships between concrete morphology and fracture behavior https://www.osti.gov/servlets/purl/1870094 Publication ID: 78584

Jeremy Trageser, Reese Jones, Jessica Rimsza, Joshua Hogancamp, (2021). Modeling of concrete degradation with peridynamics https://doi.org/10.2172/1863520 Publication ID: 78086

Anastasia Ilgen, Kevin Leung, Nadine Kabengi, (2021). Adsorption of lanthanides at nanoconfined silica- and alumina-water interfaces https://doi.org/10.2172/1863188 Publication ID: 78021

Hasini Senanayake, Jeffery Greathouse, Anastasia Ilgen, Ward Thompson, (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores https://doi.org/10.2172/1877812 Publication ID: 78043

Anastasia Ilgen, (2021). Environmental Interfaces https://www.osti.gov/servlets/purl/1866325 Publication ID: 78300

Scott Grutzik, Thomas Diebold, Kevin Strong, (2021). Statistical Prediction of Static Fatigue Lifetime in Ceramic and Glass https://doi.org/10.2172/1866549 Publication ID: 78322

Kevin Leung, Anastasia Ilgen, Louise Criscenti, (2021). Interplay of physically different properties leading to challenges in separating lanthanide cations – anab initiomolecular dynamics and experimental study Physical Chemistry Chemical Physics https://doi.org/10.1039/d1cp00031d Publication ID: 77422

Hasini Senanayake, Jeffery Greathouse, Anastasia Ilgen, Ward Thompson, (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores Journal of Chemical Physics https://doi.org/10.1063/5.0040739 Publication ID: 77445

Stephen Bauer, Robert Choens, William Kibikas, Eyal Shalev, Vladi Lyakhosky, (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal https://www.osti.gov/servlets/purl/1855708 Publication ID: 77594

Stephen Bauer, Robert Choens, William Kibikas, Eyal Shalev, Vladi Lyakhosky, (2021). Characterization and borehole analysis of the Ghareb Formation for nuclear waste disposal https://www.osti.gov/servlets/purl/1854318 Publication ID: 77459

Jessica Rimsza, Brennan Walder, Todd Alam, (2021). Influence of Polymorphs and Local Defect Structures on NMR Parameters of Graphite Fluorides Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.0c09957 Publication ID: 75104

Scott Grutzik, S. Aduloju, T. Truster, E. Reedy, (2021). Residually Stressed Bimaterial Beam Specimen for Measuring Environmentally Assisted Crack Growth Experimental Mechanics https://doi.org/10.1007/s11340-020-00659-5 Publication ID: 74953

Anastasia Ilgen, (2021). Chemical controls on the propagation and healing of subcritical fractures https://www.osti.gov/servlets/purl/1854677 Publication ID: 75063

Jessica Rimsza, Eric Sorte, Todd Alam, (2020). Computational and Experimental Characterization of Intermediate Amorphous Phases in Geological Materials https://doi.org/10.2172/1734484 Publication ID: 59045

Jessica Rimsza, Jeremy Trageser, Reese Jones, Chven Mitchell, Laura Pyrak-Nolte, (2020). Modeling Drying of Cement-Clay Composites with Non-Local Peridynamics https://doi.org/10.2172/1834681 Publication ID: 72059

Maria Warren, James Bean, Mario Martinez, Alec Kucala, Scott Broome, Jennifer Wilson, Hongkyu Yoon, (2020). Computational simulation of coupled poromechanical processes in deformable fractured and porous media https://doi.org/10.2172/1833170 Publication ID: 71950

Anastasia Ilgen, Nadine Kabengi, Kevin Leung, (2020). Interfacial chemistry in geologic nanopores https://doi.org/10.2172/1833506 Publication ID: 71977

Anastasia Ilgen, Nadine Kabengi, Kevin Leung, (2020). Interfacial chemistry in geologic nanopores (condensed version) https://doi.org/10.2172/1833507 Publication ID: 71978

Jeremy Trageser, Jessica Rimsza, Reese Jones, Laura Pyrak-Nolte, Chven Mitchell, (2020). Evaluation of Fracture in Cement-Clay Systems trhough Application of Non-Local Peridynamics https://doi.org/10.2172/1882332 Publication ID: 71807

Kristopher Kuhlman, Melissa Mills, Richard Jayne, Courtney Herrick, Robert Choens, Martin Nemer, Jason Heath, Edward Matteo, Yongliang Xiong, Shawn Otto, Brian Dozier, Doug Weaver, Phil Stauffer, Eric Guiltinan, Hakim Boukhalfa, Thom Rahn, Yuxin Wu, Jonny Rutqvist, Mengsu Hu, Dustin Crandall, (2020). First-Round Testing of the Brine Availability Test in Salt (BATS) at the Waste Isolation Pilot Plant (WIPP) https://doi.org/10.2172/1832669 Publication ID: 71838

Robert Choens, Kristopher Kuhlman, Courtney Herrick, Shawn Otto, Brian Dozier, (2020). Thermally induced acoustic emissions in salt at the Waste Isolation Pilot Plant https://doi.org/10.2172/1832671 Publication ID: 71859

T. Nenoff, Jessica Rimsza, Karena Chapman, (2020). IN-SITU PDF/DRIFTS STUDY OF THE ROLE OF WATER IN AG PARTICLE FORMATION IN ZEOLITES https://doi.org/10.2172/1830076 Publication ID: 71645

Stephen Bauer, Robert Choens, M. Homel, T. Antoun, E. Shalev, V. Lyakhovsky, (2020). WM1: Borehole Mechanical Stability https://www.osti.gov/servlets/purl/1830095 Publication ID: 71653

Diana Bull, Jennifer Frederick, Alejandro Mota, Benjamin Jones, Irina Tezaur, Chris Flanary, Robert Choens, Melissa Ward Jones, William Eymold, Craig Jones, Jermey Kasper, Emily Bristol, James McClelland, Eloise Brown, (2020). Initial Validation Results for the Arctic Coastal Erosion (ACE) Model https://doi.org/10.2172/1832733 Publication ID: 71913

Brennan Walder, Todd Alam, Jessica Rimsza, (2020). Penetrating the layers: (CF)n and lithium electrochemistry https://doi.org/10.2172/1829236 Publication ID: 71502

Pania Newell, Louis Schuler, Anastasia Ilgen, (2020). Understanding Chemically-Assisted Fracture in Porous Media Using Phase-Filed Fracture Technique https://www.osti.gov/servlets/purl/1826984 Publication ID: 71327

Jeremy Trageser, Reese Jones, Jessica Rimsza, Joshua Hogancamp, (2020). Modeling Degradation in Concrete via Peridynamics https://www.osti.gov/servlets/purl/1823238 Publication ID: 71032

Jessica Rimsza, Thiruvilla Mahadevan, Lu Deng, Jincheng Du, (2020). Atomistic Computer Simulations of Glass-Water Interactions https://www.osti.gov/servlets/purl/1737522 Publication ID: 74881

Joshua Feldman, Matthew Paul, Guangping Xu, D. Rademacher, Jennifer Wilson, T. Nenoff, (2020). Effects of natural zeolites on field-scale geologic noble gas transport Journal of Environmental Radioactivity https://doi.org/10.1016/j.jenvrad.2020.106279 Publication ID: 73408

T. Nenoff, Jessica Rimsza, Karena Chapman, zhihengyu chen , (2020). In-situ PDF/DRIFTS Study of Nanoparticle Formation in Zeolites https://www.osti.gov/servlets/purl/1813914 Publication ID: 74532

Scott Grutzik, Kevin Strong, Thomas Diebold, Jonah Carmichael, Christopher DiAntonio, Tom Chavez, (2020). R-Curve Measurements of silicon nitride glass ceramic and PZT https://www.osti.gov/servlets/purl/1814111 Publication ID: 74555

Anastasia Ilgen, Jacob Harvey, Andrew Knight, Hongkyu Yoon, Mario Martinez, (2020). Fractionation of stable strontium isotopes 86Sr/87Sr/88Sr during adsorption on aluminum and iron oxides and clay minerals https://www.osti.gov/servlets/purl/1812587 Publication ID: 74414

Diana Bull, Jennifer Frederick, Alejandro Mota, Benjamin Jones, Irina Tezaur, Christopher Flanary, Robert Choens, Melissa Jones, William Eymold, Craig Jones, Jeremy Kasper, Emily Bristol, James McClelland, Eloise Brown, (2020). Initial Validation Results for the Arctic Coastal Erosion (ACE) Model https://www.osti.gov/servlets/purl/1811816 Publication ID: 74293

Jessica Rimsza, Jincheng Du, (2020). Atomistic computer simulations of dissolution of inorganic glasses https://www.osti.gov/servlets/purl/1811430 Publication ID: 74235

Kevin Leung, Anastasia Ilgen, (2020). Ab initio Molecular Dynamics Simulations of Rare Earth (III) Ions Desorption from Silica Surfaces https://www.osti.gov/servlets/purl/1807333 Publication ID: 73678

Jessica Rimsza, Reese Jones, Jeremy Trageser, Joshua Hogancamp, (2020). Peridynamics Modeling of Cement Fracture During Degradation https://www.osti.gov/servlets/purl/1783735 Publication ID: 73500

Alejandro Mota, Jennifer Frederick, Robert Choens, Diana Bull, Irina Tezaur, (2020). Development of a strongly-coupled thermo-mechanical model of permafrost for the simulation of Arctic coastal erosion https://www.osti.gov/servlets/purl/1783653 Publication ID: 73533

R. Choens, Anastasia Ilgen, D. Espinoza, Michael Aman, Jennifer Wilson, Thomas Dewers, (2020). Impacts on mechanical strength of chemical reactions induced by hydrous supercritical CO2 in Boise Sandstone International Journal of Greenhouse Gas Control https://doi.org/10.1016/j.ijggc.2020.102982 Publication ID: 72622

Jessica Rimsza, Kristopher Kuhlman, (2020). Surface Energies and Structure of Salt-Brine Interfaces Langmuir https://doi.org/10.1021/acs.langmuir.9b03172 Publication ID: 73326

Susan Henkelis, Dayton Vogel, Dale Huber, Jessica Rimsza, T. Nenoff, (2020). Unique Optical and Electronic Effects of RE-DOBDC MOFs with Acid Gas Adsorption https://www.osti.gov/servlets/purl/1770831 Publication ID: 73021

Susan Henkelis, Dayton Vogel, Jessica Rimsza, Dale Huber, T. Nenoff, (2020). Selectivity and Stability of RE-DOBDC MOFs and their use in the Optical and Magnetic Detection of Acid Gases https://doi.org/10.1021/scimeetings.0c01580 Publication ID: 73022

Jessica Rimsza, Dayton Vogel, Susan Henkelis, T. Nenoff, (2020). DFT and AIMD Simulation of Rare Earth (RE) – DOBDC MOFs https://www.osti.gov/servlets/purl/1770847 Publication ID: 73035

T. Nenoff, Jessica Rimsza, S. Heneklis, (2020). Rare Earth (RE) – DOBDC MOFs https://www.osti.gov/servlets/purl/1772209 Publication ID: 73093

T. Nenoff, Susan Henkelis, D. Vogel, Jessica Rimsza, Katharine Page, Ryan Lively , (2020). Mixed Caustic Acid Gas Stability and Selectivity in Rare Earth DOBDC MOFs https://www.osti.gov/servlets/purl/1772210 Publication ID: 73094

T. Nenoff, Jessica Rimsza, Karena Chapman, (2020). IN-SITU STUDY OF NANOPARTICLE FORMATION IN ZEOLITES https://www.osti.gov/servlets/purl/1772211 Publication ID: 73095

Brennan Walder, Jessica Rimsza, Todd Alam, (2020). Characterization of structural heterogeneity in carbon fluorides https://www.osti.gov/servlets/purl/1769553 Publication ID: 72912

Jessica Rimsza, Karena Chapman, T. Nenoff, (2020). Energetics and Structure of Ag-Water Clusters Formed in Mordenite Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.9b08983 Publication ID: 73325

Eric Sorte, Jessica Rimsza, Todd Alam, (2020). Computational and experimental 1H-NMR study of hydrated Mg-based minerals Molecules https://doi.org/10.3390/molecules25040933 Publication ID: 72664

Jessica Rimsza, Dayton Vogel, Susan Henkelis, Dorina Sava Gallis, T. Nenoff, (2020). Control of Optical Response of Rare Earth Metal Organic Frameworks https://www.osti.gov/servlets/purl/1807191 Publication ID: 72894

Dayton Vogel, Susan Henkelis, T. Nenoff, Jessica Rimsza, (2020). Atomistic Characterization and Design of Rare Earth Metal-Organic Frameworks for Acid-Gas Separation https://www.osti.gov/servlets/purl/1764781 Publication ID: 72424

Dayton Vogel, T. Nenoff, Jessica Rimsza, (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 https://doi.org/10.1021/acsami.9b20513 Publication ID: 72425

T. Nenoff, Susan Henkelis, Dayton Vogel, Jessica Rimsza, Leo Small, Ryan Lively, kate page, (2020). Acid Gas Stability Selectivity and Sensing with Rare Earth DOBDC MOFs https://www.osti.gov/servlets/purl/1762561 Publication ID: 70798

T. Nenoff, jon vogel, Susan Henkelis, Jessica Rimsza, Dorina Sava Gallis, (2020). Acid Gas Stability and Selectivity ofRare Earth – DOBDC MOFs https://www.osti.gov/servlets/purl/1764334 Publication ID: 71376

T. Nenoff, Jessica Rimsza, jon vogel, Susan Henkelis, Dorina Sava Gallis, (2020). Acid Gas Stability and Selectivity of Rare Earth – DOBDC MOFs https://www.osti.gov/servlets/purl/1764350 Publication ID: 71378

Susan Henkelis, Dayton Vogel, Dale Huber, Jessica Rimsza, T. Nenoff, (2020). Unique Optical and Electronic Effects of RE-DOBDC MOFs with Acid Gas Adsorption https://www.osti.gov/servlets/purl/1763270 Publication ID: 70879

Dayton Vogel, Susan Henkelis, T. Nenoff, Jessica Rimsza, (2020). Structural and Optical Response of Complex Mixed Gas Dynamics in Rare Earth Metal-Organic Frameworks https://doi.org/10.1021/scimeetings.0c05236 Publication ID: 70881

B. Sanborn, B. Song, Donald Susan, Kyle Johnson, J. Dabling, Jay Carroll, Adam Brink, Scott Grutzik, Andrew Kustas, (2020). Dynamic Tensile Behavior of Soft Ferromagnetic Alloy Fe-Co-2V Conference Proceedings of the Society for Experimental Mechanics Series https://doi.org/10.1007/978-3-030-30021-0_1 Publication ID: 68834

Scott Grutzik, (2019). ATA/1558 InterchangeBrittle fracture: Drivers capabilities and needs https://www.osti.gov/servlets/purl/1646400 Publication ID: 66649

Robert Choens, Jennifer Wilson, Anastasia Ilgen, (2019). Chemical controls on granular compaction in calcite https://www.osti.gov/servlets/purl/1643475 Publication ID: 66723

Thomas Matthew, Alejandro Mota, Benjamin Jones, Robert Choens, Jennifer Frederick, Diana Bull, (2019). Bluff geometry and material variability influence stress states relevant to coastal permafrost bluff failure https://www.osti.gov/servlets/purl/1643469 Publication ID: 66727

Emily Bristol, Craig Connolly, James McClelland, Thomas Lorenson, Bruce Richmond, Anastasia Ilgen, Robert Choens, Diana Bull, Mikhail Kanevskiy, Go Iwahana, Benjamin Jones, (2019). Geochemical characterization of eroding coastal permafrost and organic matter fluxes to the Beaufort Sea near Drew Point Alaska https://www.osti.gov/servlets/purl/1643470 Publication ID: 66728

Diana Bull, Emily Bristol, Robert Choens, Craig Connolly, Jennifer Frederick, Benjamin Jones, Craig Jones, Jeremy Kasper, James McClelland, Alejandro Mota, Siddharth Namachivayam, Matthew Thomas, (2019). Development of a Tightly Coupled Multi-Physics Numerical Model for an Event-Based Understanding of Arctic Coastal Erosion https://www.osti.gov/servlets/purl/1643462 Publication ID: 66741

Susan Henkelis, Dayton Vogel, Jessica Rimsza, Dale Huber, T. Nenoff, (2019). Selectivity and Stability of RE-DOBDC MOFs and their use in the Optical and Magnetic Detection of Acid Gases https://doi.org/10.1021/scimeetings.0c01580 Publication ID: 66801

Jessica Rimsza, Stephen Foiles, Joseph Michael, William Mackie, Kurt Larson, (2019). Role of defects on the surface properties of HfC Applied Surface Science https://doi.org/10.1016/j.apsusc.2019.07.242 Publication ID: 70396

Dorina Sava Gallis, Dayton Vogel, Grace Vincent, Jessica Rimsza, T. Nenoff, (2019). NOx Adsorption and Optical Detection in Rare Earth Metal-Organic Frameworks ACS Applied Materials and Interfaces https://doi.org/10.1021/acsami.9b16470 Publication ID: 64981

Stephen Bauer, Robert Choens, Michel Homel, Antoun Tarabay, Eyal Shalev, V. Lyakhovsky, H. Levin, G. Oren, (2019). Thermal Hydrological and Mechanical (THM) Modelling https://www.osti.gov/servlets/purl/1643124 Publication ID: 66170

Dayton Vogel, Susan Henkelis, T. Nenoff, Jessica Rimsza, (2019). Structural and Optical Response of Complex Mixed Gas Dynamics in Rare Earth Metal-Organic Frameworks https://www.osti.gov/servlets/purl/1643604 Publication ID: 66513

B. Song, B. Sanborn, Donald Susan, Kyle Johnson, J. Dabling, Jay Carroll, Adam Brink, Scott Grutzik, Andrew Kustas, (2019). Correction of specimen strain measurement in Kolsky tension bar experiments on work-hardening materials International Journal of Impact Engineering https://doi.org/10.1016/j.ijimpeng.2019.103328 Publication ID: 67441

Reese Jones, Jessica Rimsza, David Littlewood, Tara LaForce, (2019). Modeling of Multiphysics Crack Growth in Cement https://www.osti.gov/servlets/purl/1643056 Publication ID: 66021

Jessica Rimsza, (2019). NOx Adsorption and Optical Detection by Rare Earth Metal-Organic Frameworks (RE-MOFs) https://www.osti.gov/servlets/purl/1646076 Publication ID: 65522

Scott Grutzik, Kevin Strong, Steve Dai, (2019). Investigation of R-Curve Behavior in Glass Ceramic Materials https://doi.org/10.2172/1568986 Publication ID: 65281

Susan Henkelis, Dorina Sava Gallis, Grace Garibay, Dayton Vogel, Jessica Rimsza, T. Nenoff, (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs https://www.osti.gov/servlets/purl/1641931 Publication ID: 64773

Jessica Rimsza, Kristopher Kuhlman, (2019). Surface Structure and Energetics at the Salt-Brine Interface https://www.osti.gov/servlets/purl/1642657 Publication ID: 65356

Scott Grutzik, (2019). Sandia National Laboratories Information Session https://www.osti.gov/servlets/purl/1645937 Publication ID: 64874

Mark Wilson, Scott Grutzik, Michael Chandross, (2019). Continuum stress intensity factors from atomistic fracture simulations Computer Methods in Applied Mechanics and Engineering https://doi.org/10.1016/j.cma.2019.05.050 Publication ID: 69249

Dayton Vogel, Dorina Sava Gallis, T. Nenoff, Jessica Rimsza, (2019). Electronic and Structural Response of Rare-Earth Metal-Organic Frameworks with Acid Gases https://www.osti.gov/servlets/purl/1642006 Publication ID: 64909

Susan Henkelis, Dorina Sava Gallis, Grace Garibay, Dayton Vogel, Jessica Rimsza, T. Nenoff, (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs https://www.osti.gov/servlets/purl/1642030 Publication ID: 64948

Kevin Strong, Scott Grutzik, (2019). Reliability of Components that Contain Brittle Materials https://www.osti.gov/servlets/purl/1642031 Publication ID: 64950

Dayton Vogel, Dorina Sava Gallis, T. Nenoff, Jessica Rimsza, (2019). Electronic and Structural Response of Rare-Earth Metal-Organic Frameworks with Acid Gases https://www.osti.gov/servlets/purl/1641634 Publication ID: 70455

T. Nenoff, Susan Henkelis, Dorina Sava Gallis, Abigail Vogel, Jessica Rimsza, Grace Garibay, (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs https://www.osti.gov/servlets/purl/1641635 Publication ID: 70456

Hongkyu Yoon, Mario Martinez, Anastasia Ilgen, Andrew Knight, Robert Choens, (2019). Microfluidics applications for calcium carbonate precipitation and dissolution and Sr isotopic fractionation https://www.osti.gov/servlets/purl/1641638 Publication ID: 70462

Anastasia Ilgen, L. Loera, A. Knight, P. Ilani-Kashkouli, K. Leung, N. Kabengi, (2019). Interfacial chemistry of lanthanides under nano-scale confinement https://www.osti.gov/servlets/purl/1641654 Publication ID: 70484

Louise Criscenti, Jessica Rimsza, Reese Jones, (2019). Molecular Simulation of Geochemical Reactions in Subcritical Fractures https://www.osti.gov/servlets/purl/1641682 Publication ID: 70541

B. Sanborn, B. Song, Donald Susan, Kyle Johnson, J. Dabling, Jay Carroll, Adam Brink, Scott Grutzik, Andrew Kustas, (2019). Dynamic Temperature-Dependent Tensile Behavior of Soft Ferromagnetic Alloy Fe-Co-2V https://www.osti.gov/servlets/purl/1641824 Publication ID: 64668

Diana Bull, Jennifer Frederick, Alejandro Mota, Matthew Thomas, Craig Jones, Benjamin Jones, Jeremy Kasper, James McClelland, Emily Bristol, Robert Choens, (2019). A Predictive Model for Arctic Coastal Erosion https://www.osti.gov/servlets/purl/1645732 Publication ID: 70334

Jessica Rimsza, Dayton Vogel, Dorina Sava Gallis, T. Nenoff, (2019). Acid Gas Adsorption and Structural Characterization of RE-DOBDC MOFs via Density Functional Theory https://www.osti.gov/servlets/purl/1641710 Publication ID: 70592

Alejandro Mota, Jennifer Frederick, Diana Bull, Robert Choens, (2019). Strongly-coupled thermo-mechanical model of permafrost for the simulation of Arctic coastal erosion https://www.osti.gov/servlets/purl/1641135 Publication ID: 69689

Natasha Sears, Jessica Rimsza, (2019). Stability of Li-Al-H Molecules for Battery Applications https://www.osti.gov/biblio/1645657 Publication ID: 70015

T. Nenoff, Dorina Sava Gallis, Jessica Rimsza, Abigail Vogel, Grace Garibay, (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs https://www.osti.gov/servlets/purl/1641037 Publication ID: 69551

Anastasia Ilgen, Andrew Knight, P. Ilani-Kashkouli, N, Kabengi, Jacob Harvey, Jeff Greathouse, Louise Criscenti, Kevin Leung, Tuan Ho, (2019). Adsorption and Coordination Environment of Cations under Nano-scale Confinement https://www.osti.gov/servlets/purl/1645681 Publication ID: 70123

T. Nenoff, Jessica Rimsza, Dorina Sava Gallis, Kennedy Block, Gerald Vincent, Dayton Vogel, (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs https://www.osti.gov/servlets/purl/1645680 Publication ID: 70129

Stephen Bauer, Jennifer Wilson, Edward Matteo, Giorgia Bettin, (2019). Permeability and deformation mechanisms during triaxial testing of early-age cement https://www.osti.gov/servlets/purl/1640784 Publication ID: 69167

Andrew Stershic, Michael Stender, Scott Grutzik, (2019). Sandia Fracture Models for Mixed-Mode Brittle Fracture https://www.osti.gov/servlets/purl/1640590 Publication ID: 69004

Jessica Rimsza, Reese Jones, Louise Criscenti, (2019). Mechanisms of Chemo-Mechanical Fracture of Silica in Aqueous Electrolyte Solutions https://www.osti.gov/servlets/purl/1640671 Publication ID: 69033

B. Sanborn, B. Song, Donald Susan, Kyle Johnson, J. Dabling, Jay Carroll, Adam Brink, Scott Grutzik, Andrew Kustas, (2019). Dynamic Temperature-Dependent Tensile Behavior of Soft Ferromagnetic Alloy Fe-Co-2V https://www.osti.gov/servlets/purl/1640748 Publication ID: 69115

Stephen Bauer, Robert Choens, Eyal Shalev, Michael Homel, Tarabay Antoun, Harel Levin, Gal Oren, Vladimir Lyakhosky, (2019). Thermal mechanical and hydrologic characterization for model development and modeling of deep borehole disposal of nuclear waste in Israel https://www.osti.gov/servlets/purl/1640081 Publication ID: 68632

Jessica Rimsza, (2019). Peridynamics+PFLOTRAN coupling for predicting cement fracture in aqueous conditions https://www.osti.gov/servlets/purl/1648786 Publication ID: 68458

T. Nenoff, Dorina Sava Gallis, d.j. vogel, Gilbert Torres, Jessica Rimsza, K. Page, R. Lively, (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs https://www.osti.gov/servlets/purl/1645293 Publication ID: 68732

T. Nenoff, d.j. vogel, Jessica Rimsza, D. gallis, Grace Garibay, (2019). Acid Gas Stability and Selectivity of Rare Earth MOFs https://www.osti.gov/servlets/purl/1640139 Publication ID: 68733

B. Song, B. Sanborn, Donald Susan, Kyle Johnson, J. Dabling, Jay Carroll, Adam Brink, Scott Grutzik, Andrew Kustas, (2019). Correction of Specimen Strain Measurement in Kolsky Tension Bar Experiments on Linear Work-hardening Materials https://www.osti.gov/servlets/purl/1640203 Publication ID: 68828

Scott Grutzik, E. Reedy, (2019). Experiments and modeling of post-yield deformation in Epon 828/DEA and 828/T403 epoxy https://www.osti.gov/servlets/purl/1640214 Publication ID: 68844

Scott Grutzik, M. Teague, (2019). Full stress tensor measurement using fluorescence spectroscopy Journal of Applied Physics https://doi.org/10.1063/1.5088584 Publication ID: 68042

Jessica Rimsza, Reese Jones, Louise Criscenti, (2019). Mechanisms of silica fracture in aqueous electrolyte solutions Frontiers in Materials https://doi.org/10.3389/fmats.2019.00079 Publication ID: 68545

Rachel Washington, Carolyn Hutchinson, David Griffith, Anastasia Ilgen, (2019). Interactions of 17β-Estradiol with Fe(II)-Activated Nontronite https://www.osti.gov/servlets/purl/1639742 Publication ID: 68120

Anastasia Ilgen, Lourdes Loera, Andrew Knight, Kevin Leung, (2019). Using lanthanides to probe the interfacial chemistry of nano-scale pores https://www.osti.gov/servlets/purl/1639743 Publication ID: 68121

Anastasia Ilgen, (2019). Chemical effects on fracture in calcite single crystals and in carbonate-rich shale https://www.osti.gov/servlets/purl/1639744 Publication ID: 68122

Jeffery Greathouse, Louise Criscenti, Anastasia Ilgen, Kevin Leung, Andrew Knight, Tuan Ho, Jacob Harvey, (2019). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1639727 Publication ID: 68178

Clay Payne, Louise Criscenti, Edward Matteo, Jessica Rimsza, Reese Jones, (2019). Chemical-mechanical effects on subcritical fracture initiation and propagation in fused quartz https://www.osti.gov/servlets/purl/1644933 Publication ID: 68185

Jessica Rimsza, Reese Jones, Louise Criscenti, (2019). Mechanisms of Chemo-Mechanical Fracture of Silica in Aqueous Electrolyte Solutions https://www.osti.gov/servlets/purl/1639687 Publication ID: 67938

Mark Wilson, Scott Grutzik, Michael Chandross, (2019). Continuum Stress Intensity Factors from Atomistic Fracture Simulations https://doi.org/10.1016/j.cma.2019.05.050 Publication ID: 68340

Dayton Vogel, Jessica Rimsza, T. Nenoff, (2019). Density Functional Theory of Acid Gas Adsorption and Structural Characterization for Rare Earth-DOBDC MOFs https://www.osti.gov/servlets/purl/1639527 Publication ID: 67690

Anastasia Ilgen, L. Loera, A. Knight, P. Ilani-Kashkouli, K. Leung, N. Kabengi, (2019). Interfacial chemistry of lanthanides under nano-scale confinement https://www.osti.gov/servlets/purl/1639555 Publication ID: 67727

Tuan Ho, Yifeng Wang, Louise Criscenti, Anastasia Ilgen, (2019). Molecular Simulation of the Multicomponent Interaction in Shale Nanopores https://www.osti.gov/servlets/purl/1639561 Publication ID: 67739

Dayton Vogel, Jessica Rimsza, T. Nenoff, (2019). Density Functional Theory of RE-DOBDC MOFs for Acid Gas Adsorption and Structural Characterization https://www.osti.gov/servlets/purl/1644627 Publication ID: 67751

Kyle Johnson, Jay Carroll, B. Song, B. Sanborn, Donald Susan, Scott Grutzik, Andrew Kustas, Adam Brink, (2019). Fe-Co-2V Soft Ferromagnetic Alloy Characterization and Constitutive Model Development https://www.osti.gov/servlets/purl/1639428 Publication ID: 67512

Andrew Knight, Poorandokht Illani-Kashkouli, Jacob Harvey, Jeffery Greathouse, Tuan Ho, Nadine Kabengi, Anastasia Ilgen, (2019). Interfacial Reactions Driven by Nano-scale Confinement https://www.osti.gov/servlets/purl/1639605 Publication ID: 67829

David Littlewood, Jessica Rimsza, Jennifer Frederick, Reese Jones, Tara LaForce, (2019). Multiphysics Peridynamic Models for Crack Growth in Brittle Materials https://www.osti.gov/servlets/purl/1602633 Publication ID: 67181

Emily Bristol, Craig Connolly, Jim McClelland, Tom Lorenson, Bruce Richmond, Anastasia Ilgen, Robert Choens, Courtney Herrick, Diana Bull, Mikhail Kanevskiy, Go Iwahana, Benjamin Jones, (2019). Biogeochemistry of eroding soils along the Beaufort Sea coastline: Results from permafrost cores collected at Drew Point AK https://www.osti.gov/servlets/purl/1602934 Publication ID: 67198

Jessica Rimsza, Eric Sorte, Todd Alam, (2019). Hydration and Hydroxylation of MgO in Solution: NMR Identification of Proton-Containing Intermediate Phases ACS Omega https://doi.org/10.1021/acsomega.8b02705 Publication ID: 64939

Jessica Rimsza, Stephen Foiles, Joseph Michael, William Mackie, Kurt Larson, (2019). Role of Impurities on the Surface Properties of HfC https://www.osti.gov/servlets/purl/1598093 Publication ID: 64833

Dayton Vogel, Dorina Sava Gallis, T. Nenoff, Jessica Rimsza, (2019). Structure and electronic properties of rare earth DOBDC metal-organic-frameworks Physical Chemistry Chemical Physics https://doi.org/10.1039/C9CP04038B Publication ID: 65672

Reese Jones, W. Tucker, Jessica Rimsza, Louise Criscenti, (2019). Atomic-scale interaction of a crack and an infiltrating fluid Chemical Physics Letters: X https://doi.org/10.1016/j.cpletx.2018.100005 Publication ID: 67523

Louise Criscenti, Jessica Rimsza, Edward Matteo, Clay Payne, Nicholas Tucker, Reese Jones, (2018). Stress-Corrosion Fracture of Silica in Aqueous Solutions https://www.osti.gov/servlets/purl/1761354 Publication ID: 60481

Tuan Ho, Yifeng Wang, Anastasia Ilgen, Louise Criscenti, Craig Tenney, (2018). Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel Nanoscale https://doi.org/10.1039/C8NR06204H Publication ID: 59707

Mark Wilson, Scott Grutzik, Michael Chandross, (2018). Continuum Stress Intensity Factors from Atomistic Fracture Simulations https://doi.org/10.1016/j.cma.2019.05.050 Publication ID: 60182

Jessica Rimsza, Reese Jones, Louise Criscenti, (2018). Chemical Effects on Subcritical Fracture in Silica From Molecular Dynamics Simulations Journal of Geophysical Research: Solid Earth https://doi.org/10.1029/2018JB016120 Publication ID: 58945

Stephen Bauer, Robert Choens, Jeff LaJeunesse, E. Shalev, V. Lyakhovsky, Gal Oren, Harel Levin, (2018). Damage Induced by Excavation and Heat Release of a Radioactive Waste Repository https://www.osti.gov/servlets/purl/1761131 Publication ID: 60396

Anastasia Ilgen, (2018). Chemical effects on fracture in calcite single crystals and in carbonate-rich shale https://www.osti.gov/servlets/purl/1592539 Publication ID: 59694

Anastasia Ilgen, Lourdes Loera, Andrew Knight, Kevin Leung, (2018). Using lanthanides to probe the interfacial chemistry of nano-scale pores https://www.osti.gov/servlets/purl/1592617 Publication ID: 59709

Jessica Rimsza, Eric Sorte, Todd Alam, (2018). NMR Characterization of MgO Engineered Barrier Materials https://www.osti.gov/servlets/purl/1890356 Publication ID: 59533

Mark Wilson, Michael Chandross, Scott Grutzik, (2018). Crack tip fields and location in molecular dynamics https://www.osti.gov/servlets/purl/1593033 Publication ID: 59864

Louise Criscenti, Jessica Rimsza, Reese Jones, Edward Matteo, Clay Payne, (2018). Chemical-Mechanical Modeling of Subcritical-to-Critical Fracture in Geomaterials https://doi.org/10.2172/1481559 Publication ID: 59869

Kristopher Kuhlman, Carlos Lopez, Melissa Mills, Jessica Rimsza, David Sassani, (2018). Evaluation of Spent Nuclear Fuel Disposition in Salt (FY18) https://doi.org/10.2172/1481605 Publication ID: 59422

Kevin Leung, Louise Criscenti, Andrew Knight, Anastasia Ilgen, Tuan Ho, Jeffery Greathouse, (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surfaces Journal of Physical Chemistry Letters https://doi.org/10.1021/acs.jpclett.8b02173 Publication ID: 58839

Timothy Boyle, Joshua Farrell, Daniel Yonemoto, Jeremiah Sears, Jessica Rimsza, Diana Perales, Nelson Bell, Roger Cramer, LaRico Treadwell, Peter Renehan, Casey Adams, Michael Bender, William Crowley, (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 https://doi.org/10.1021/acs.inorgchem.8b01907 Publication ID: 58845

Robert Choens, Anastasia Ilgen, Carlos Jove-Colon, Jennifer Wilson, Moo Lee, (2018). ChemoMechanical Controls on Induced Seismicity https://doi.org/10.2172/1474256 Publication ID: 59078

Melissa Teague, Theron Rodgers, Scott Grutzik, Stephen Meserole, (2018). Characterization and Modeling of Microstructuctural Stresses in Alumina https://www.osti.gov/servlets/purl/1592315 Publication ID: 59102

Anastasia Ilgen, Andrew Knight, Lourdes Loera, (2018). Probing nano-scale confinement effects with rare earth elements https://www.osti.gov/servlets/purl/1806782 Publication ID: 63764

Louise Criscenti, Jeffery Greathouse, Anastasia Ilgen, Kevin Leung, Jacob Harvey, Tuan Ho, Andrew Knight, (2018). Interfacial Chemistry Under Nanoconfinement https://www.osti.gov/servlets/purl/1582269 Publication ID: 63836

Gema Alas, Eric Sorte, Todd Alam, Jessica Rimsza, (2018). MgO Project https://www.osti.gov/servlets/purl/1581918 Publication ID: 63623

Andrew Knight, Andrew Knight, Anastasia Ilgen, (2018). Geochemistry in Nanopores https://www.osti.gov/servlets/purl/1582523 Publication ID: 63893

Tuan Ho, Yifeng Wang, Louise Criscenti, Anastasia Ilgen, (2018). Molecular Simulation of Nanostructure Gas adsorption Swelling and Wettability of Kerogen https://www.osti.gov/servlets/purl/1581715 Publication ID: 63674

Anastasia Ilgen, Louise Criscenti, Jeffery Greathouse, Kevin Leung, Andrew Knight, Tuan Ho, Jacob Harvey, Austen Tigges, Lourdes Loera, (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1581943 Publication ID: 63705

Kevin Leung, Louise Criscenti, Andrew Knight, Anastasia Ilgen, Tuan Ho, Jeffery Greathouse, (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surface https://doi.org/10.1021/acs.jpclett.8b02173 Publication ID: 63524

Anastasia Ilgen, Louise Criscenti, Jeffery Greathouse, Kevin Leung, Andrew Knight, Tuan Ho, Jacob Harvey, Lourdes Loera, (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1570175 Publication ID: 63086

Reese Jones, Louise Criscenti, Jessica Rimsza, Jonathan Zimmerman, (2018). Assessing the Fracture Strength of Geological and Related Materials in Fluid Environments via an Atomistically Based J-integral https://www.osti.gov/servlets/purl/1571887 Publication ID: 63418

Haley Davis, (2018). Illumination for Spectroradiometric Monitoring of Indoor Algal Cultures https://www.osti.gov/servlets/purl/1806717 Publication ID: 63199

Andrew Knight, Nikolai Kalugin, Eric Coker, Anastasia Ilgen, (2018). Properties of Nano-scale Confined Water https://www.osti.gov/servlets/purl/1572930 Publication ID: 63460

Andrew Knight, Austen Tigges, Anastasia Ilgen, (2018). Adsorption of copper (II) on mesoporous silica: the effect of nano-scale confinement Geochemical Transactions https://doi.org/10.1186/s12932-018-0057-4 Publication ID: 64069

Reese Jones, Jessica Rimsza, Louise Criscenti, (2018). An atomic-scale evaluation of the fracture toughness of silica glass Journal of Physics Condensed Matter https://doi.org/10.1088/1361-648X/aac28b Publication ID: 58897

Louise Criscenti, Jessica Rimsza, Edward Matteo, Reese Jones, (2018). Coupled chemo-mechanical fracture in silica in aqueous solutions https://www.osti.gov/servlets/purl/1518546 Publication ID: 62214

Melissa Teague, Theron Rodgers, Scott Grutzik, Stephen Meserole, (2018). Characterization and modeling of microstructural stresses in alumina Journal of the American Ceramic Society https://doi.org/10.1111/jace.15369 Publication ID: 59008

Scott Grutzik, E. Reedy, (2018). Demonstration of hybrid crack kinking criterion https://www.osti.gov/servlets/purl/1524826 Publication ID: 62336

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