Materials Science Division
Material Dynamics and Kinetics Group
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Defying conventional materials science research by studying the dynamics of materials out of equilibrium.

The Materials Dynamics and Kinetics group has multidisciplinary expertise in the kinetics, transport, and interfacial dynamics of nano- and mesoscale systems using both theoretical and experimental techniques.
Our team explores material dynamics and kinetics via several avenues:
- Material interactions with shockwaves from explosives
- Changing properties of materials over time
- Phase transitions
- Computer modeling of materials under dynamic deformation
- Artificial intelligence and machine learning methods for new materials design
- Theory and simulation of materials at the atomic scale for determining properties of novel nanomaterials, polymers, and complicated metals such as actinides
- Laser-driven shockwave experiments to better inform computer models
We feature world-class facilities and instrumentation for high-pressure and shock wave experiments, including high-power lasers, advanced diagnostics, and capabilities for static high-pressure experiments with diamond anvil cells.
In the news
Our research areas
Our group is composed of three subgroups.
Dynamic Materials Experiments (DME)
DME performs laser-driven and high-pressure diamond anvil cell experiments onsite and remotely around the world, as well as dynamic shockwave experiments on materials at extreme conditions.
Non-Equilibrium Theory (NET)
NET focuses on theory and simulation at the atomic scale to simulate materials far from equilibrium. We perform quantum mechanical simulations for electronic structure, as well as molecular dynamics simulations applied for a range of materials, from polymers to energetic materials to complicated actinides like uranium and plutonium.
Simulation and Design for Complex Hydrodynamics and Materials (SDCHM)
This subgroup grew out of the DarkStar project, in which AI was applied to problems of shockwave hydrodynamics and material design. SDCHM uses AI to discover new methods of controlling shockwaves and other kinds of hydrodynamic behavior and develop new performing systems.
Our team
Group members















Our publications
ChIMES Carbon 2.0: A Transferable Machine-Learned Interatomic Model Harnessing Multifidelity Training Data
ChemRxiv, 2024 (Preprint)
L. R. Lindsey, S. Bastea, S. Hamel, Y. Lyu, N. Goldman, V. Lordi
Suppression of Richtmyer-Meshkov Instability via Special Pairs of Shocks and Phase Transitions
Phys. Rev. Lett., 2024
W. J. Schill, M. R. Armstrong, J. H. Nguyen, D. M. Sterbentz, D. A. White, L. X. Benedict, R. N. Rieben, A. Hoff, H. E. Lorenzana, B. M. La Lone, M. D. Staska
A reactive molecular dynamics model for uranium/hydrogen containing systems
Journal of Chemical Physics, 2024
A. Soshnikov, R. Lindsey, A. Kulkarni, N. Goldman
Inference of strength and phase transition kinetics in dynamically-compressed tin
J. Appl. Phys., 2023
W. J. Schill, K. L. Schmidt, R. A. Austin, W. W. Anderson, J. L. Belof, J. L. Brown, N. R. Barton
Linear shaped-charge jet optimization using machine learning methods
J. Appl. Phys., 2023
D. M. Sterbentz, C. F. Jekel, D. A. White, R. N. Rieben, J. L. Belof
Scaling Law for the Onset of Solidification at Extreme Undercooling
Phys. Rev. Lett., 2023
P. C. Myint, D. M. Sterbentz, J. L. Brown, B. S. Stoltzfus, J.-P. R. Delplanque, J. L. Belof
Influence of Temperature History and Flow Mixing on the Vapor-Phase Speciation of Uranium Oxide Nanoparticles
ACS Earth and Space Chemistry, 2023
K. Rodriguez, E. N. Weerakkody, Z. Dai, K. B. Knight, B. Koroglu, T. P. Rose, E. Balboni
Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials
Journal of Chemical Physics, 2023
N. Goldman, L. E. Fried, R. K. Lindsey, C. H. Pham, R. Dettori
Hugoniot properties of porous stainless steel: Insights from molecular dynamics simulations
Journal of Applied Physics, 2023
C. H. Pham, H. E. Lorenzana, J. L. Belof, N. Goldman
Hydrogen in disordered titania: connecting local chemistry, structure, and stoichiometry through accelerated exploration
Journal of Materials Chemistry A, 2023
J. Chapman, K. E. Kweon, Y. Zhu, K. Bushick, L. B. B. Aji, C. A. Colla, H. Mason, N. Goldman, N. Keilbart, S. R. Qiu, T. W. Heo, J. Rodriguez, B. C. Wood
Design optimization for Richtmyer–Meshkov instability suppression at shock-compressed material interfaces (Editor’s Pick)
Physics of Fluids, 2022
Dane M. Sterbentz, Charles F. Jekel, Daniel A. White, Sylvie Aubry, Hector E. Lorenzana, Jonathan L. Belof
Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO₂
Applied Sciences, 2022
N. Goldman, L. Zepeda-Ruiz, R. G. Mullen, R. K. Lindsey, C. H. Pham, L. E. Fried, J. L. Belof
Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction
Journal of Applied Physics, 2022
M. R. Armstrong, H. B. Radousky, R. A. Austin, O. Tschauner, S. Brown, A. E. Gleason, N. Goldman, E. Granados, P. Grivickas, N. Holtgrewe, M. P. Kroonblawd, H. J. Lee, S. Lobanov, B. Nagler, I. Nam, V. Prakapenka, C. Prescher, E. J. Reed, E. Stavrou, P. Walter, A. F. Goncharov, J. L. Belof
Multiscale Strategy for Predicting Radiation Chemistry in Polymers
Journal of Chemical Theory and Computation, 2022
M. P. Kroonblawd, A. Yoshimura, N. Goldman, A. Maiti, J. P. Lewicki, A. P. Saab
Machine-Learning a Solution for Reactive Atomistic Simulations of Energetic Materials
Propellants, Explosives, Pyrotechnics, 2022
R. K. Lindsey, C. H. Pham, N. Goldman, S. Bastea, L. E. Fried
Elucidating the Initial Steps in α-Uranium Hydriding Using First-Principles Calculations
Langmuir, 2022
A. Soshnikov, A. Kulkarni, N. Goldman
Ab initio Calculations for Void Swelling Bias in 𝛼- and 𝛿-Plutonium
Physical Review Materials, 2022
B. Sadigh, P. Söderlind, N. Goldman, M. P. Surh
Reducing Optimal Training Set Design with Many-Body Repulsive Potentials for High Accuracy Density-Functional Tight Binding Models
APS March Meeting Abstracts, 2022
H. Pham, R. Lindsey, L. Fried, N. Goldman
Quantifying the Atomistic Free-Volume Morphology of Materials with Graph Theory
Computational Materials Science, 2022
J. Chapman, N. Goldman
Efficient and Universal Characterization of Atomic Structures Through a Topological Graph Order Parameter
npj Computational Materials, 2022
J. Chapman, N. Goldman, B. C. Wood
Terahertz Circular Dichroism Spectroscopy of Molecular Assemblies and Nanostructures
Journal of the American Chemical Society, 2022
W. J. Choi, S. H. Lee, B. C. Park, N. A. Kotov
Strength of tantalum to 276 GPa determined by two x-ray diffraction techniques using diamond anvil cells
Journal of Applied Physics, 2022
C. Perreault, L. Q. Huston, K. Burrage, S. C. Couper, L. Miyagi, E. K. Moss, J. S. Pigott, J. S. Smith, N. Velisavljevic, Y. Vohra, B. T. Sturtevant
A First-Principles Study of Hydrogen Surface Coverage on δ-Pu (100), (111), and (110) Surfaces
The Journal of Chemical Physics, 2021
R. Gotchy Mullen, N. Goldman
Heat capacity, entropy, formation energy and spin-fluctuation behavior of U₃Si₅ from 2.4 to 397.4 K
Journal of Nuclear Materials, 2021
J. L. Baker, J. T. White, A. Chen, T. Ulrich, R. R. Roback, H. Xu
Constitutive Model of Radiation Aging Effects in Filled Silicone Elastomers under Strain
A. Maiti, W. Small, M. P. Kroonblawd, J. P. Lewicki, N. Goldman, T. S. Wilson, A. P. Saab
The Journal of Physical Chemistry B, 2021
Characterization of carrier behavior in photonically excited 6H silicon carbide exhibiting fast, high voltage, bulk transconductance properties
Scientific Reports, Volume 11, Article number: 6859 (2021)
S. E. Sampayan, P. V. Grivickas, A. M. Conway, K. C. Sampayan, I. Booker, M. Bora, G. J. Caporaso, V. Grivickas, H. T. Nguyen, K. Redeckas, A. Schoner, L. F. Voss, M. Vengris, L. Wang
Terahertz circular dichroism spectroscopy of biomaterials enabled by kirigami polarization modulators
Nature Materials, 2019
Won Jin Choi, Gong Cheng, Zhengyu Huang, Shuai Zhang, Theodore B. Norris, Nicholas A. Kotov
Ultrafast shock synthesis of nanocarbon from a liquid precursor
Nature Communications, 2020
M. R. Armstrong, R. K. Lindsey, N. Goldman, M. H. Nielsen, E. Stavrou, L. E. Fried, J. M. Zaug, S. Bastea