Saved in:
| Main Authors: | Jain, Bhanuj, Olleak, Alaa, He, Junyan, Chaurasia, Adarsh, Di Stefano, Davide |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2601.05917 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
First principles study of the origin and nature of ferromagnetism in (Ga,Mn)As
by: Sanvito, Stefano, et al.
Published: (2000)
by: Sanvito, Stefano, et al.
Published: (2000)
First-principles study on Small Polaron and Li diffusion in layered LiCoO2
by: Ahn, Seryung, et al.
Published: (2022)
by: Ahn, Seryung, et al.
Published: (2022)
High-fidelity modeling of interface crossing in the diffusion welding process at the polycrystalline scale
by: Godinot, Camille, et al.
Published: (2025)
by: Godinot, Camille, et al.
Published: (2025)
A collapsed interface approach to resolve grain boundaries in finite element simulations of polycrystalline diffusion
by: Scholz, Lena, et al.
Published: (2025)
by: Scholz, Lena, et al.
Published: (2025)
The plastic flow of polycrystalline solids
by: Lagos, Miguel
Published: (2025)
by: Lagos, Miguel
Published: (2025)
High-fidelity level-set modeling of diffusive solid-state phase transformations for polycrystalline materials
by: Chandrappa, Nitish, et al.
Published: (2024)
by: Chandrappa, Nitish, et al.
Published: (2024)
First-principles investigation of hydrogen-related reactions on (100)--(2$\times$1)$:$H diamond surfaces
by: Guillaume, Emerick Y., et al.
Published: (2024)
by: Guillaume, Emerick Y., et al.
Published: (2024)
Role of topotactic hydrogen in Superconductivity of Infinite-layer Nickelate NdNiO$_{2}$: A first-principles and variational Monte Carlo study
by: Gupta, Manoj, et al.
Published: (2025)
by: Gupta, Manoj, et al.
Published: (2025)
First principles study of [111]-oriented epitaxially strained Rare-Earth Nickelate NdNiO$_3$
by: Lione, Alexander, et al.
Published: (2025)
by: Lione, Alexander, et al.
Published: (2025)
First-principles study of defects and doping limits in CaO
by: Yuan, Zhenkun, et al.
Published: (2024)
by: Yuan, Zhenkun, et al.
Published: (2024)
Magneto-elastic softening in cold-sprayed polycrystalline nickel studied by resonant ultrasound spectroscopy
by: Janovská, Michaela, et al.
Published: (2025)
by: Janovská, Michaela, et al.
Published: (2025)
First-principles theory of nonlinear long-range electron-phonon interaction
by: Houtput, Matthew, et al.
Published: (2024)
by: Houtput, Matthew, et al.
Published: (2024)
First-principles theory of nonlinear long-range electron-phonon interaction
by: Houtput, Matthew, et al.
Published: (2024)
by: Houtput, Matthew, et al.
Published: (2024)
A multiphase-field model for simulating the hydrogen-induced multi-spot corrosion on the surface of polycrystalline metals: Application to uranium metal
by: Sheng, Jie, et al.
Published: (2023)
by: Sheng, Jie, et al.
Published: (2023)
Effects of mechanical stress, chemical potential, and coverage on hydrogen solubility during hydrogen-enhanced decohesion of ferritic steel grain boundaries: A first-principles study
by: Guzmán, Abril Azócar, et al.
Published: (2024)
by: Guzmán, Abril Azócar, et al.
Published: (2024)
Million-atom heat transport simulations of polycrystalline graphene approaching first-principles accuracy enabled by neuroevolution potential on desktop GPUs
by: Zhou, Xiaoye, et al.
Published: (2024)
by: Zhou, Xiaoye, et al.
Published: (2024)
General expression for the energy and the equation of state for polycrystalline solids
by: Bystrenko, O., et al.
Published: (2025)
by: Bystrenko, O., et al.
Published: (2025)
First-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH$_3$ (X = Li, K)
by: Anupam, et al.
Published: (2024)
by: Anupam, et al.
Published: (2024)
First-principles theory of spin magnetic multipole moments in antiferromagnets
by: Chen, Hua, et al.
Published: (2026)
by: Chen, Hua, et al.
Published: (2026)
First-principles study of photovoltaic and thermoelectric properties of AgBiSCl2
by: Wang, Sihang, et al.
Published: (2026)
by: Wang, Sihang, et al.
Published: (2026)
First-principles study of metal-biphenylene interfaces: structural, electronic, and catalytic properties
by: Lebre, Maicon P., et al.
Published: (2025)
by: Lebre, Maicon P., et al.
Published: (2025)
First-principles study of the energetics and the local chemical ordering of tungsten-based alloys
by: Qian, Yichen, et al.
Published: (2024)
by: Qian, Yichen, et al.
Published: (2024)
Kinetics of hydrogen and vacancy diffusion in iron: A Kinetic Activation Relaxation technique (k-ART) study
by: Khosravi, Aynour, et al.
Published: (2023)
by: Khosravi, Aynour, et al.
Published: (2023)
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
by: Fiorentino, Alfredo, et al.
Published: (2024)
by: Fiorentino, Alfredo, et al.
Published: (2024)
First-principle study of the influence of hydroxyapatite on magnesium surfaces
by: Berg, Anthony Veit, et al.
Published: (2026)
by: Berg, Anthony Veit, et al.
Published: (2026)
The switching of bipolar and unipolar magnetostriction in polycrystalline ZnO film
by: Guchhait, Suman, et al.
Published: (2026)
by: Guchhait, Suman, et al.
Published: (2026)
An assessment of mechanism-based plasticity models for polycrystalline magnesium alloys
by: Vigneshwaran, R., et al.
Published: (2026)
by: Vigneshwaran, R., et al.
Published: (2026)
High-fidelity level-set modeling of polycrystalline grain growth
by: Li, Tianchi, et al.
Published: (2026)
by: Li, Tianchi, et al.
Published: (2026)
Analytical model for predicting induced-stress distributions in polycrystalline materials
by: Mede, Timon, et al.
Published: (2024)
by: Mede, Timon, et al.
Published: (2024)
First-principles transition-state tensorial cluster expansion of vacancy diffusion in Ta-W beyond the kinetically-resolved activation approximation
by: Jeffries, Jacob, et al.
Published: (2026)
by: Jeffries, Jacob, et al.
Published: (2026)
Multiscale modeling of hydrogen diffusion in iron considering the effect of dislocations
by: Álvarez, Gonzalo, et al.
Published: (2025)
by: Álvarez, Gonzalo, et al.
Published: (2025)
A first-principles study of bcc chromium beyond the generalized gradient approximation (GGA)
by: Partos, Alma, et al.
Published: (2026)
by: Partos, Alma, et al.
Published: (2026)
First principles approaches and concepts for electrochemical systems
by: Todorova, Mira, et al.
Published: (2024)
by: Todorova, Mira, et al.
Published: (2024)
Machine-learning-driven modelling of amorphous and polycrystalline BaZrS$_{3}$
by: Paşca, Laura-Bianca, et al.
Published: (2025)
by: Paşca, Laura-Bianca, et al.
Published: (2025)
A comparative nanotribological investigation on amorphous and polycrystalline forms of MoS2
by: Khaksar, Hesam, et al.
Published: (2025)
by: Khaksar, Hesam, et al.
Published: (2025)
Numerical and data-driven modeling of spall failure in polycrystalline ductile materials
by: Saha, Indrashish, et al.
Published: (2025)
by: Saha, Indrashish, et al.
Published: (2025)
Magnetoelectric coupling at the domain level in polycrystalline ErMnO3
by: Schultheiß, J., et al.
Published: (2024)
by: Schultheiß, J., et al.
Published: (2024)
First-principles study of doping influence on twin formation in Ni-Mn-Ga nonmodulated martensite
by: Šesták, Petr, et al.
Published: (2026)
by: Šesták, Petr, et al.
Published: (2026)
A combined First-principles and Boltzmann transport theory methodology for studying magnetotransport in magnetic materials
by: Liu, Zhihao, et al.
Published: (2024)
by: Liu, Zhihao, et al.
Published: (2024)
First principles study on the oxidation resistance of two-dimensional intrinsic and defective GeO2
by: Zhang, Xixiang, et al.
Published: (2025)
by: Zhang, Xixiang, et al.
Published: (2025)
Similar Items
-
First principles study of the origin and nature of ferromagnetism in (Ga,Mn)As
by: Sanvito, Stefano, et al.
Published: (2000) -
First-principles study on Small Polaron and Li diffusion in layered LiCoO2
by: Ahn, Seryung, et al.
Published: (2022) -
High-fidelity modeling of interface crossing in the diffusion welding process at the polycrystalline scale
by: Godinot, Camille, et al.
Published: (2025) -
A collapsed interface approach to resolve grain boundaries in finite element simulations of polycrystalline diffusion
by: Scholz, Lena, et al.
Published: (2025) -
The plastic flow of polycrystalline solids
by: Lagos, Miguel
Published: (2025)