Search

Categories

Materials Chemistry

(1)

Materials Science

(3)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(1)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Keywords

Computational Thermodynamics

Authors

3 results in Keywords: Computational Thermodynamics

Materials Science

Design of Multicomponent Alloys with C14 Laves Phase for Hydrogen Storage assisted by Computational Thermodynamic

Jéssica Bruna Ponsoni, Vinicius Aranda, Tatiane da Silva Nascimento, Renato Belli Strozi, Walter José Botta, Guilherme Zepon

Version 2 posted 28 June 2022

975

Downloads

Physical Chemistry

Role of vacancies in structural thermalization of binary and high-entropy alloys

Henrik Kristoffersen, Jack K. Pedersen, Jan Rossmeisl

Version 1 posted 13 June 2023

222

Downloads

Materials Chemistry

Thermodynamics of Solids Including Anharmonicity Through Quasiparticle Theory

Ernesto Blancas, Álvaro Lobato, Fernando Izquierdo Ruiz, Antonio M. Márquez, J. Manuel Recio, Pinku Nath, José J. Plata, Alberto Otero de la Roza

Version 3 posted 09 October 2024

431

Downloads