Diamond under extremes
Diamond is, by virtue of the covalent bonding between atoms and the very strong carbon to
carbon bonds, the hardest natural material. It has been a fascinating material since its …
carbon bonds, the hardest natural material. It has been a fascinating material since its …
[HTML][HTML] On-the-fly machine learned force fields for the study of warm dense matter: Application to diffusion and viscosity of CH
We develop a framework for on-the-fly machine learned force field (MLFF) molecular
dynamics (MD) simulations of warm dense matter (WDM). In particular, we employ an MLFF …
dynamics (MD) simulations of warm dense matter (WDM). In particular, we employ an MLFF …
Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions
JT Willman, JM Gonzalez, K Nguyen-Cong… - The Journal of …, 2024 - pubs.aip.org
Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional
opportunity to advance the fundamental understanding of carbon under extreme conditions …
opportunity to advance the fundamental understanding of carbon under extreme conditions …
Diffuse scattering from dynamically compressed single-crystal zirconium following the pressure-induced phase transition
The prototypical α→ ω phase transition in zirconium is an ideal test bed for our
understanding of polymorphism under extreme loading conditions. After half a century of …
understanding of polymorphism under extreme loading conditions. After half a century of …
Shock compression pathways to pyrite silica from machine learning simulations
S Pan, J Shi, Z Liang, C Liu, J Wang, Y Wang… - Physical Review B, 2024 - APS
Silica is a fundamental component of planetary interiors, and the knowledge of its high-
pressure polymorphs is essential for constructing planetary models. The pyrite silica has …
pressure polymorphs is essential for constructing planetary models. The pyrite silica has …
First-principles molecular dynamics of exciton-driven initial stage of plasma phase transition in warm dense molecular nitrogen
ID Fedorov, VV Stegailov - The Journal of Chemical Physics, 2024 - pubs.aip.org
Understanding the properties of molecular nitrogen N 2 at extreme conditions is the
fundamental problem for atomistic theory and the important benchmark for the capabilities of …
fundamental problem for atomistic theory and the important benchmark for the capabilities of …
Molecular Dynamics Simulations of Shock in Silicon and Diamond
AC Li - 2024 - search.proquest.com
The dynamic behavior of materials under shock has been a deeply studied topic due to the
different ways materials respond to high strain rate situations compared to static …
different ways materials respond to high strain rate situations compared to static …
[HTML][HTML] Es noticia
S Romero - muyinteresante.com
Hace unos 6 millones de años, un suceso en África dio lugar a un cambio evolutivo muy
significativo. En la zona del Rift, en África Occidental, la fragmentación del continente—que …
significativo. En la zona del Rift, en África Occidental, la fragmentación del continente—que …
Section 5–Large-Scale Atomistic Simulation Using Machine Learning-Based Interatomic Potentials
A Thompson - Roadmap for the development of machine learning … - iopscience.iop.org
Atomistic simulation provides insight that is complementary to experimental and theoretical
studies. By making very few approximations, other than the choice of interatomic potential, it …
studies. By making very few approximations, other than the choice of interatomic potential, it …
[引用][C] Decomposition of PFAS and Synthesis of BC8 Super-Diamond: Rotations of Electromagnetic Waves for Novel Chemical Dynamics
RB Little - European Journal of Applied Physics, 2024