Efficient approach to compute melting properties fully from ab initio with application to Cu

[PDF][PDF] Development of a computational framework to determine the chemical and thermodynamic stability of electrode materials in an electrochemical environment

SH Yoo - 2020 - scholar.archive.org

Solid-electrolyte interfaces are at the heart of various applications, such as batteries,
electrolysis, photo catalytic water splitting, corrosion and others. In order to optimize …

[引用][C] Melting temperatures of the noble gases from ab-initio Monte Carlo simulations: a thesis presented in partial fulfilment of the requirements for the degree of …

OR Smits - 2019 - Massey University

Theoretical investigation of novel electronic, optical, mechanical and thermal properties of metallic hydrogen at 495 GPa

B Peng, K Xu, H Zhang, H Shao, G Ni, J Li, L Wu… - arXiv preprint arXiv …, 2018 - arxiv.org

Atomic metallic hydrogen has been produced in the laboratory at high pressure and low
temperature, prompting further investigations of its different properties. However, purely …

[PDF][PDF] 第一原理計算に基づく理論状態図の構築と準安定物質創成に関する研究

大谷博司 - 豊田研究報告= Reports of Toyota Physical and …, 2022 - toyotariken.jp

In order to respond quickly to strong demands for materials science, such as the reduction
and substitution of rare elements, it is indispensable to establish theoretical phase diagram …

[引用][C] Ab initio based study of precipitate formation in advanced structural Al-based alloys

A Gupta - 2019 - pure.mpg.de

Ab initio based study of precipitate formation in advanced structural Al-based alloys :: MPG.PuRe
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被引用次数：2 相关文章所有 2 个版本

[引用][C] pyiron–an integrated development environment for ab-initio thermodynamics

J Janßen - 2021 - pure.mpg.de

pyiron – an integrated development environment for ab-initio thermodynamics :: MPG.PuRe
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