Stress intensity thresholds for development of reliable brittle materials 

The Journal of the American Ceramic Society featuring the Sandia research projects.
Cover of the Journal of the American Ceramic Society

Brittle material failure can appear random and unpredictable at subcritical stresses. A fundamental understanding of how structural and environmental factors impact fracture propagation is necessary to predict fracture in these systems. Through this project, a physics-based model of glass fracture was developed to limit uncertainties in predicting crack growth. An experimental and computational approach composed of molecular dynamic (MD) simulations, numerical modeling, and atomic force microscopy (AFM) was used. AFM characterization identified crack growth rates as slow as 10-13 m/s. MD simulations identified the role of inelastic relaxation in crack propagation including evolution of the local atomic structure during relaxation. A numerical model for the existence of a stress intensity threshold was developed and is being incorporated into mission programs.  

The project included collaboration with faculty and students from Sandia Alliance partner Purdue University and with the Missouri University of Science and Technology. This work has resulted in five publications, with one, “Inelastic relaxation in silica via reactive molecular dynamics,” selected for the cover of the Journal of the American Ceramic Society. PI Jessica Rimsza was also selected to participate in the 7th World Materials Research Institutes Forum Workshop for Early Career Scientists for her work on fracture in nuclear waste. 


Three examples of inelastic relaxation in cracks propagation.
Three examples of inelastic relaxation in cracks propagation.

Sandia researchers linked to work 

  1. Jessica Rimsza 
  2. Craig Nakakura 
  3. Kevin Strong 
  4. 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

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

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

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

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

Scott Ellis, David Chandler, Joseph Michael, Craig Nakakura, (2021). Ultrafast Electron Microscopy for Spatial-Temporal Mapping of Charge Carriers https://doi.org/10.2172/1828105 Publication ID: 76379

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

David Scrymgeour, Andrew Fisher, Calvin Chan, Jason Meeks, Daniel Ward, Craig Nakakura, (2019). Localized Electromagnetic Probing for Failure Analysis in Noisy Environments https://doi.org/10.2172/1569344 Publication ID: 65132

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

Craig Nakakura, Kimberlee Celio, (2019). Novel Applications of Scanning Ultrafast Electron Microscopy (SUEM) https://doi.org/10.2172/1564040 Publication ID: 65005

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Craig Nakakura, Aaron Katzenmeyer, (2018). Novel Applications of Near-Field Scanning Optical Microscopy (NSOM) https://doi.org/10.2172/1475250 Publication ID: 59186

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

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

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

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

Jessica Rimsza, Reese Jones, Louise Criscenti, (2018). Atomistic-scale evaluation of the fracture toughness of silicates in aqueous solutions https://www.osti.gov/servlets/purl/1515326 Publication ID: 62143

Jessica Rimsza, Reese Jones, Louise Criscenti, (2018). Interaction of NaOH solutions with silica surfaces Journal of Colloid and Interface Science https://doi.org/10.1016/j.jcis.2018.01.049 Publication ID: 60345

Jessica Rimsza, Reese Jones, Louise Criscenti, (2018). Crack propagation in silica from reactive classical molecular dynamics simulations Journal of the American Ceramic Society https://doi.org/10.1111/jace.15292 Publication ID: 58818

Jessica Rimsza, Reese Jones, Louise Criscenti, (2018). Atomistic-scale evaluation of the fracture toughness of silicates in aqueous solutions https://www.osti.gov/servlets/purl/1503090 Publication ID: 61154

Sunday Aduloju, Wenjia Gu, Timothy Truster, John Emery, E. Reedy, Scott Grutzik, (2018). Designing brittle fracture specimens to investigate environmentally assisted crack growth Conference Proceedings of the Society for Experimental Mechanics Series https://www.osti.gov/servlets/purl/1373028 Publication ID: 51216

Scott Grutzik, E. Reedy, (2018). Crack Path Selection in Thermally Loaded Borosilicate/Steel Bibeam Specimen Experimental Mechanics https://doi.org/10.1007/s11340-017-0297-8 Publication ID: 56506

Louise Criscenti, Richard Muller, Reese Jones, Jessica Rimsza, Edward Matteo, (2017). Chemical-Mechanical Modeling of Subcritical-to-Critical Fracture in Geomaterials https://www.osti.gov/servlets/purl/1485515 Publication ID: 54563

Louise Criscenti, Jessica Rimsza, Edward Matteo, Reese Jones, (2017). Nanoscale Stress-Corrosion of Geo-materials in Aqueous Solutions https://www.osti.gov/servlets/purl/1487001 Publication ID: 54632

Jincheng Du, Jessica Rimsza, (2017). Atomistic computer simulations of water interactions and dissolution of inorganic glasses npj Materials Degradation https://doi.org/10.1038/s41529-017-0017-y Publication ID: 58490

Jessica Rimsza, Reese Jones, Louise Criscenti, (2017). Atomistic-scale evaluation of the fracture toughness of silicates in aqueous solutions https://www.osti.gov/servlets/purl/1483125 Publication ID: 54271

Melissa Teague, Scott Grutzik, Stephen Meserole, Theron Rodgers, (2017). Characterization and Modeling of Microstructural level Stresses in Brittle Materials https://www.osti.gov/servlets/purl/1480184 Publication ID: 53615

Jessica Rimsza, (2017). Dissolution and fracture properties of amorphous silica through classical molecular dynamics simulations https://www.osti.gov/servlets/purl/1480655 Publication ID: 53907

Scott Grutzik, (2017). LANL Bi2Te3 Crack Detection https://www.osti.gov/servlets/purl/1481343 Publication ID: 53972

Melissa Teague, Melissa Teague, Theron Rodgers, Theron Rodgers, Scott Grutzik, Scott Grutzik, Stephen Meserole, Stephen Meserole, (2017). Microstructural Modeling of Brittle Materials for Enhanced Performance and Reliability https://doi.org/10.2172/1377754 Publication ID: 58138

Jessica Rimsza, Louise Criscenti, Reese Jones, Jincheng Du, Jeffrey Kelber, Lu Deng, Haseeb Kazi, Frank Pasquale, Adri Duin, Seung Ho, Jejoon Yun, (2017). Dissolution and fracture of amorphous silica https://www.osti.gov/servlets/purl/1465003 Publication ID: 57974

Louise Criscenti, Jessica Rimsza, Edward Matteo, Reese Jones, (2017). Nanoscale Stress-Corrosion of Silicate Glass in Aqueous Solutions https://www.osti.gov/servlets/purl/1464066 Publication ID: 57818

Scott Grutzik, (2017). Fracture Mechanics: Essential Concepts and Examples https://www.osti.gov/servlets/purl/1806462 Publication ID: 57123

Scott Grutzik, Stephen Meserole, Kevin Strong, Thomas Buchheit, Melissa Teague, (2017). Full stress tensor measurement using fluorescence spectroscopy https://www.osti.gov/servlets/purl/1457862 Publication ID: 56128

Jessica Rimsza, Reese Jones, Louise Criscenti, Susan Altman, (2017). Atomistic-scale evaluation of the fracture toughness of silica https://www.osti.gov/servlets/purl/1367253 Publication ID: 56416

Jessica Rimsza, Reese Jones, Louise Criscenti, (2017). Fracture toughness of amorphous silica from atomistic scale simulations https://www.osti.gov/servlets/purl/1367294 Publication ID: 56450

Louise Criscenti, Jessica Rimsza, Reese Jones, Edward Matteo, (2017). Nanoscale stress-corrosion of silicate glass in aqueous solutions: Simulations and experiments https://www.osti.gov/servlets/purl/1367299 Publication ID: 56455

Thomas Buchheit, Scott Grutzik, Kevin Strong, Stephen Meserole, (2017). Charcterization and Modeling of Microstructural level Stresses in Brittle Materials https://www.osti.gov/servlets/purl/1457916 Publication ID: 56246

Scott Grutzik, S Aduloju, W Gu, E. Reedy, John Emery, T Truster, Scott Grutzik, (2017). Designing brittle fracture specimnes to investigate environmentally assisted crack growth https://www.osti.gov/servlets/purl/1458049 Publication ID: 56507

Jessica Rimsza, Reese Jones, Louise Criscenti, (2017). Surface Structure and Stability of Partially Hydroxylated Silica Surfaces Langmuir https://doi.org/10.1021/acs.langmuir.7b00041 Publication ID: 55334

Jessica Rimsza, Reese Jones, Louise Criscenti, (2017). Atomistic-scale evaluation of the fracture toughness of silicates https://www.osti.gov/servlets/purl/1431613 Publication ID: 55583

Reese Jones, Louise Criscenti, Jessica Rimsza, (2017). Assessing the fracture strength of geological and related materials via an atomistically based J-integral https://www.osti.gov/servlets/purl/1426534 Publication ID: 55286

Scott Grutzik, Stephen Meserole, Kevin Strong, Thomas Buchheit, Melissa Teague, (2017). Full stress tensor measurement using flourescence spectroscopy https://www.osti.gov/servlets/purl/1424552 Publication ID: 55087

Sunday Aduuloju, Wenjia Gu, Scott Grutzik, E. Reedy, John Emery, Tim Truster, (2017). Designing brittle fracture specimnes to investigate environmentally assisted crack growth https://www.osti.gov/servlets/purl/1455324 Publication ID: 54883

Scott Grutzik, E. Reedy, (2017). Development of glass/steel bibeam specimen for study of brittle crack path stability Conference Proceedings of the Society for Experimental Mechanics Series https://doi.org/10.1007/978-3-319-42028-8_8 Publication ID: 48447

Scott Grutzik, (2016). Fracture Mechanics Seminar: EPFM propagation and dynamic effects https://www.osti.gov/servlets/purl/1414997 Publication ID: 48326

Reese Jones, Louise Criscenti, Jessica Rimsza, (2016). Assessing the fracture strength of geological and related materials via an atomistically based J-integral https://www.osti.gov/servlets/purl/1415171 Publication ID: 48374

Scott Grutzik, Thomas Buchheit, Melissa Teague, Raegan Johnson, Stephen Meserole, David Tallant, Kevin Ewsuk, (2016). Characterization of residual stress at the microscale using photoluminescence spectroscopy https://www.osti.gov/servlets/purl/1415715 Publication ID: 47758

Melissa Teague, Kevin Ewsuk, Thomas Buchheit, Scott Grutzik, (2016). Micro-structural Stress Modeling of Brittle Materials for Enhanced Performance and Reliability https://www.osti.gov/servlets/purl/1422121 Publication ID: 48033

Scott Grutzik, (2016). Introduction to Fracture Mechanics: Theory of Linear Elastic Fracture https://www.osti.gov/servlets/purl/1408360 Publication ID: 47518

Scott Grutzik, Kevin Strong, Kevin Ewsuk, (2016). Predicting and Controlling Brittle Materials/Systems Performance and Reliability https://www.osti.gov/servlets/purl/1405236 Publication ID: 47290

Reese Jones, Louise Criscenti, Jessica Rimsza, (2016). Assessing the fracture strength of geological and related materials via an atomistically based J-integral https://www.osti.gov/servlets/purl/1405257 Publication ID: 47313

Melissa Teague, Kevin Ewsuk, Thomas Buchheit, Scott Grutzik, (2016). Micro-structural Stress Modeling of Brittle Materials for Enhanced Performance and Reliability https://www.osti.gov/servlets/purl/1420240 Publication ID: 47573

Craig Nakakura, Joseph Michael, Meredith Dyck, Jeffry Sniegowski, (2016). Novel Applications of the Multi-Beam SEM https://doi.org/10.2172/1562396 Publication ID: 52266

Reese Jones, Louise Criscenti, Jessica Rimsza, (2016). Assessing the fracture strength of geological and related materials via an atomistically based J-integral https://www.osti.gov/servlets/purl/1505455 Publication ID: 52152

Kevin Strong, Clay Newton, Mark Wilson, Michael Chandross, Scott Grutzik, John Emery, E. Reedy, Kevin Ewsuk, (2016). Slow Crack Growth Behavior in Glass-Ceramics https://www.osti.gov/servlets/purl/1378837 Publication ID: 51908

Scott Grutzik, E. Reedy, (2016). Crack Path Selection in Thermally Loaded Borosilicate/Steel Bibeam Specimen https://www.osti.gov/servlets/purl/1368798 Publication ID: 50179

Scott Grutzik, E. Reedy, (2016). Quasi-Static Brittle Fracture in Thermally Loaded Bimaterial Beam Specimen https://www.osti.gov/servlets/purl/1365149 Publication ID: 49408

Scott Grutzik, Erik Milosevic, Brad Boyce, Alan Zehnder, (2015). Oxide driven strength evolution of silicon surfaces Journal of Applied Physics https://doi.org/10.1063/1.4936118 Publication ID: 48208

Scott Grutzik, Erik Milosevik, Brad Boyce, Alan Zehnder, (2015). Oxide driven strength evolution of silicon surfaces https://doi.org/10.1063/1.4936118 Publication ID: 45686

Joseph Michael, Craig Nakakura, (2015). Applications of high-throughput multibeam SEM in materials science https://www.osti.gov/servlets/purl/1296536 Publication ID: 45036

Craig Nakakura, (2012). Scanning Electron Microscopy https://www.osti.gov/servlets/purl/1658516 Publication ID: 29393

Gary Kellogg, Craig Nakakura, (2010). Imaging doped silicon test structures using low energy electron microscopy https://doi.org/10.2172/993607 Publication ID: 17066

Gary Kellogg, Craig Nakakura, (2008). Imaging Doped Silicon Structures Using Low-Energy Electron Microscopy https://www.osti.gov/servlets/purl/1142536 Publication ID: 14772

Meredith Dyck, Craig Nakakura, Gary Kellogg, Kevin Saiz, (2008). Imaging Oxide-Covered Doped Silicon Structures Using Low-Energy Electron Microscopy https://www.osti.gov/servlets/purl/1146016 Publication ID: 12512

Kenton Childs, Anthony Farino, Craig Nakakura, Todd Bauer, Ellis Errett, Michael Rye, (2007). CINT Optics & Transport Discovery Platform https://www.osti.gov/servlets/purl/1147611 Publication ID: 10558

Craig Nakakura, Ralph Young, Murat Okandan, Bruce Draper, Meredith Dyck, (2006). Quantitative analysis of microelectromechanical-based field effect transistors using scanning capacitance microscopy and device simulations Proposed for publication in Applied Physics Letters. https://www.osti.gov/biblio/884702 Publication ID: 6707

Meredith Dyck, Paiboon Tangyunyong, Thomas Hill, Craig Nakakura, Thomas Headley, Michael Rye, (2005). Transmission electron microscopy and scanning capacitance microscopy analysis of dislocation-induced leakages in n-channel I/O transistors https://www.osti.gov/biblio/884701 Publication ID: 6046

Meredith Dyck, Paiboon Tangyunyong, Thomas Hill, Craig Nakakura, Thomas Headley, Michael Rye, (2005). Transmission Electron Microscopy and Scanning Capacitance Microscopy Analysis of Dislocation-Induced Leakages in n-channel I/O Transistors Proposed for publication in the Conference proceedings from the 31st International Symposium for Testing and Failure Analysis. https://www.osti.gov/biblio/885112 Publication ID: 5952

Paiboon Tangyunyong, Thomas Headley, Michael Rye, Thomas Hill, Craig Nakakura, Jerry Soden, Edward Cole, Richard Flores, Marty Shaneyfelt, Robert Dockerty, (2003). Novel application of transmission electron microscopy and scanning capacitance microscopy for defect root cause identification and yield enhancement https://www.osti.gov/biblio/1004355 Publication ID: 2528

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