:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Martin, Baptiste, Yao, Shukai, Li, Chunyu, Bocahut, Anthony, Jackson, Matthew, Strachan, Alejandro
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	https://arxiv.org/abs/2508.15592
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Spall strength of symmetric tilt grain boundaries in 6H silicon carbide
by: Li, Chunyu, et al.
Published: (2025)

Influence of Polymer on Shock-Induced Pore Collapse: Hotspot Criticality through Reactive Molecular Dynamics
by: Macatangay, Jalen, et al.
Published: (2024)

Microstructure-Aware Deep Learning Bridges Atomistics to Macroscale for Shock-to-Detonation Prediction
by: Gonzalez-Zapata, Simon, et al.
Published: (2026)

Multi-Fidelity Predictive Model for Shock Response of Energetic Materials Using Conditional U-Net
by: Lee, Brian H., et al.
Published: (2026)

Preferential Composition during Nucleation and Growth in Multi-Principal Elements Alloys
by: Mishra, Saswat, et al.
Published: (2023)

Nuclear Quantum Effects in Multi-Step Condensed Matter Chemistry: A Path Integral Molecular Dynamics Study of Thermal Decomposition
by: Macatangay, Jalen, et al.
Published: (2026)

Modeling Framework to Predict Melting Dynamics at Microstructural Defects in TNT-HMX High Explosive Composites
by: Holbrook, Ethan, et al.
Published: (2025)

Data Fusion of Deep Learned Molecular Embeddings for Property Prediction
by: Appleton, Robert J, et al.
Published: (2025)

A Data-Driven Parametric Reduced-Order Chemical Kinetics Model Derived from Atomistic Simulations
by: Sakano, Michael N., et al.
Published: (2026)

Exploration of Hexagonal, Layered Carbides and Nitrides as Ultra-High Temperature Ceramics
by: Nykiel, Kat, et al.
Published: (2025)

Evaluating LLM-generated code for domain-specific languages: molecular dynamics with LAMMPS
by: Holbrook, Ethan, et al.
Published: (2026)

Bridging the Synthesizability Gap in Perovskites by Combining Computations, Literature Data, and PU Learning
by: Desai, Rushik, et al.
Published: (2025)

Machine learning descriptors for predicting the high temperature oxidation of refractory complex concentrated alloys
by: Bejjipurapu, Akhil, et al.
Published: (2025)

Finite-strain constitutive model for shape memory alloys formulated in the logarithmic strain space
by: Moskovka, Alexej, et al.
Published: (2025)

Accelerating active learning materials discovery with FAIR data and workflows: a case study for alloy melting temperatures
by: Harwani, Mohnish, et al.
Published: (2024)

Gas-phase condensation of carbonated silicate grains
by: Rouillé, Gaël, et al.
Published: (2024)

Harnessing Machine Learning for Quantum-Accurate Predictions of Non-Equilibrium Behavior in 2D Materials
by: Zhang, Yue, et al.
Published: (2025)

A collaborative digital twin built on FAIR data and compute infrastructure
by: Deucher, Thomas M., et al.
Published: (2025)

Exploring the defect landscape and dopability of chalcogenide perovskite BaZrS3
by: Desai, Rushik, et al.
Published: (2025)

Graph neural network coarse-grain force field for the molecular crystal RDX
by: Lee, Brian H., et al.
Published: (2024)

Assessing generative modeling approaches for free energy estimates in condensed matter
by: Schebek, Maximilian, et al.
Published: (2025)

Ultrasensitive strain modulation of terahertz magnons at a magnetic phase transition
by: Wang, Lichen, et al.
Published: (2026)

A phase field model with arbitrary misorientation dependence of grain boundary energy
by: Staublin, Philip, et al.
Published: (2026)

On recovering intragranular strain fields from grain-averaged strains obtained by high-energy X-ray diffraction microscopy
by: Cocke, C. K., et al.
Published: (2025)

Pressure and strain effects on the $\textit{ab initio}$ $GW$ electronic structure of La$_3$Ni$_2$O$_7$
by: de Vaulx, Jean-Baptiste, et al.
Published: (2025)

Active Learning Discovery of High Temperature Oxidation Resistant Refractory Complex Concentrated Alloys
by: Bejjipurapu, Akhil, et al.
Published: (2025)

Superionic Amorphous Li 2 ZrCl 6 and Li 2 HfCl 6
by: Shukai Yao, et al.
Published: (2026)

Quantitative analysis of the prediction performance of a Convolutional Neural Network evaluating the surface elastic energy of a strained film
by: Encinar, Luis Martín, et al.
Published: (2024)

High-Pressure Inelastic Neutron Spectroscopy: A true test of Machine-Learned Interatomic Potential energy landscapes
by: Armstrong, Jeff, et al.
Published: (2026)

Mass uptake during oxidation of metallic alloys: literature data collection, analysis, and FAIR sharing
by: Mishra, Saswat, et al.
Published: (2023)

Biaxial strain tuning of exciton energy and polarization in monolayer WS2
by: Kourmoulakis, G., et al.
Published: (2023)

Machine-learning potentials for structurally and chemically complex MAB phases: strain hardening and ripplocation-mediated plasticity
by: Koutná, Nikola, et al.
Published: (2025)

Realization of strain induced multiple topological phases in Cu$_2$SnS$_3$: An $ab$-$initio$ study
by: Pandey, Prakash, et al.
Published: (2025)

Combined electrostatic and strain engineering of BiFeO$_3$ thin films at the morphotropic phase boundary
by: Nordlander, Johanna, et al.
Published: (2020)

Physics-informed neural networks incorporating energy dissipation for the phase-field model of ferroelectric microstructure evolution
by: Shang, Lan, et al.
Published: (2024)

A textured polar phase in strained SrTiO3
by: Wang, Huaiyu Hugo, et al.
Published: (2026)

Atomic-scale Frustrated Josephson Coupling and Multi-condensate Visualization in FeSe
by: Sharma, Nileema, et al.
Published: (2025)

Parallel and GPU accelerated code for phase-field and reaction-diffusion simulations
by: Silber, Steven A., et al.
Published: (2025)

Prediction of local elasto-plastic stress and strain fields in a two-phase composite microstructure using a deep convolutional neural network
by: Saha, Indrashish, et al.
Published: (2023)

Quantitative kinetic rules for plastic strain-induced $α$-$ω$ phase transformation in Zr under high pressure
by: Dhar, Achyut, et al.
Published: (2024)