Elastic constants of ice Ihas described by semi-empirical water models-Reference-Cited by-同舟云学术

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Elastic constants of ice Ihas described by semi-empirical water models

Published:2019-01-28 Issue:4 Volume:150 Page:044503
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Franco Pinheiro Moreira Pedro Augusto¹^ORCID,Gomes de Aguiar Veiga Roberto²^ORCID,de Koning Maurice³⁴^ORCID

Affiliation:

1. Departamento de Física, UFSCar, Rodovia Washington Luiz, km 235, CP 676, São Carlos, 13565-905 São Paulo, Brazil

2. Centro de Engenharia, Modelagem e Ciências Sociais Aplicadas, Universidade Federal do ABC, Santo André, 09210-580 São Paulo, Brazil

3. Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, UNICAMP, Campinas, 13083-859 São Paulo, Brazil

4. Center for Computing in Engineering & Sciences, Universidade Estadual de Campinas, UNICAMP, Campinas, 13083-861 São Paulo, Brazil

Funder

CNPq

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5082743

Reference68 articles.

1. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

2. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

3. Ab initio theory and modeling of water

4. A reappraisal of what we have learnt during three decades of computer simulations on water

5. Simulating water with rigid non-polarizable models: a general perspective

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1. Exploring ice Ic nucleation and structural relaxation in supercooled water;Journal of Molecular Liquids;2024-08

2. Developing semi-empirical water model for efficiently simulating temperature-dependent chemisorption of CO₂ in amine solvents;Physical Chemistry Chemical Physics;2024

3. Molecular simulations of premelted films between C-S-H and ice: Implication for cryo-suction in cement-based materials;Cement and Concrete Research;2023-12

4. Does supercooled water retain its universal nucleation behavior under shear at high pressure?;Physical Chemistry Chemical Physics;2023

5. Molecular dynamics analysis of elastic properties and new phase formation during amorphous ices transformations;Scientific Reports;2022-08-03

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