Results 151 to 160 of about 8,869 (306)

Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models

Advanced Science, EarlyView.
Comprehensive evaluation of MLIPs and generative models for TS search using an end‐to‐end benchmark platform. Success rates, TS quality, and barrier prediction errors are systematically compared across models. The results reveal key performance trade‐offs and provide actionable insights for improving ML‐based transition state search and reaction ...
Qiyuan Zhao, Yunhong Han, Duo Zhang, Jiaxu Wang, Peichen Zhong, Taoyong Cui, Bangchen Yin, Yirui Cao, Haojun Jia, Chenru Duan   +9 more
wiley   +1 more source

Tokamak microturbulence and the second law of thermodynamics

, 1980
Allen H. Boozer
openalex   +1 more source

MXene‐Engineered Cs2AgBiBr6 Perovskite Solar Cells: Rational Screening and Interfacial Dynamics for Lead‐Free Photovoltaics

Advanced Science, EarlyView.
The first strategic screening of M2X‐type MXenes for heterojunction design with Cs2AgBiBr6 is investigated by theory and experimental validation, revealing the role of transition metal layers, surface terminations, and work functions in enhanced photovoltaic performances.
Lin Yang, Tianfang Zheng, Ziyan Liu, Naoyuki Shibayama, Peng Li, Jiangang Ma, Xintong Zhang, Hancheng Zhu, Xiao‐Feng Wang, Haiyang Xu, Yichun Liu   +10 more
wiley   +1 more source

Student Reasoning Regarding Work, Heat, and the First Law of Thermodynamics in an Introductory Physics Course [PDF]

, 2001
David E. Meltzer
openalex   +1 more source

Zwitterion‐Stabilized Superlattices and Frank‐Kasper Phases in Charged Block Copolymers for Mechanically Robust Dielectric Soft Materials

Advanced Science, EarlyView.
Superlattices formed by the co‐assembly of acid‐functionalized block copolymers and zwitterions exhibit tunable morphologies, transitioning from lamellae to cylinders to Frank‐Kasper phases. Zwitterion interfacial localization enhances dielectric constant, mechanical strength, and thermal stability, making these materials promising for soft electronics
Jaemin Min, Hojun Lee, Moon Jeong Park
wiley   +1 more source

(Finite-Time) Thermodynamics, Hyperbolicity, Lorentz Invariance: Study of an Example. [PDF]

Entropy (Basel)
Guy B.
europepmc   +1 more source

Achieving Anti‐Disproportionation Performance Enhancement and Distorted Inverse‐Disproportionation Reaction Correction of Zr2Fe‐Based Hydrogen Isotope Storage Alloys via Element Substitution

Advanced Science, EarlyView.
Undesirable phase transition behavior and anti‐disproportionation performance limit the hydrogen isotope storage of Zr2Fe alloy. With theoretical screening and experiments, partial Cu/Ni substitutions achieve full reversibility and significantly improve anti‐disproportionation properties.
Zhiyi Yang, Yuxiao Jia, Yang Liu, Fei Chu, Jiacheng Qi, Tiao Ying, Jiahuan He, Xingwen Feng, Jiangfeng Song, Yan Shi, Wenhua Luo, Xuezhang Xiao, Lixin Chen   +12 more
wiley   +1 more source

Fundamental Nonlinear Theory for Micropolar Electrically Conducting Fluids. Conservation Law, Nonequilibrium Thermodynamics, Peltier Effect.

, 1995
Takahiko TANAHASHI, Taijiro Nakai
openalex   +2 more sources

Landauer's Principle: Past, Present and Future. [PDF]

Entropy (Basel)
Bormashenko E.
europepmc   +1 more source

Unraveling the Atomic Mechanism of the Crystalline Phase‐Dependent Structural Features and Special Spectral Design of α‐, β‐, and Ɛ‐Ga₂O₃

Advanced Science, EarlyView.
Understanding atomic‐scale phase transformations and their spectral responses is key to tailoring semiconductor properties for specific applications. Phase‐dependent thermodynamic responses in α‐, β‐, and ε‐Ga₂O₃ reveal distinct lattice energy dissipation pathways.
Xinqing Han, Yong Liu, Yang Li, Miguel L. Crespillo, Eva Zarkadoula, Wenxiang Mu, Peng Liu   +6 more
wiley   +1 more source