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Computational Materials Science

Resumen/Descripción – provisto por la editorial en inglés
The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.

Papers that report on modern materials modeling are of interest, including quantum chemical methods, density functional theory, semi-empirical and classical approaches, statistical mechanics, atomic-scale simulations, mesoscale modeling, phase-field techniques, and finite element methods. Reports of advances in technical methodologies, and the application of computational materials science to guide, interpret, inspire, or otherwise enhance related experimental materials research are of significant interest as long as the computational methods or results are a primary focus of the manuscript. Contributions on all types of materials systems will be considered in the form of articles, perspectives, and reviews. Research articles will be assessed based on originality, uniqueness and scientific merit in the form of materials phenomena related insights and/or advancements in computational methods and theory. Manuscripts with significant overlap with other reported works are likely to be inadmissible.

Not all topics that potentially fall under the category of computational materials science are appropriate or will be accepted. For example, submissions that focus on the design of components for structural applications, describe electrical behavior in a device, or characterize thermal or mass transport without extensive accompanying input and associated discussion from computational materials science methods of interest are best suited for other specialized journals. Additionally, papers that focus on mechanical responses of broad classes of materials are likely better suited for journals that specialize in the mechanics of materials. Authors of such papers may wish to consider the following alternative journals:Mechanics of materials:Journal of the Mechanics and Physics of Solids, Mechanics of Materials, International Journal of Mechanical Sciences, Computer Methods in Applied Mechanics and Engineering Thermal and mass transport at the continuum scale:International Journal of Heat and Fluid Flow, Journal of Fluids and Structures, International Journal of Mechanical Sciences Design or testing of components for structural applications: Journal of Manufacturing Processes Design of electronic devices: Materials Science in Semiconductor Processing, Materials Science and Engineering B, Microelectronic Engineering The journal supports the open data movement, and is part of the Open Data Pilot (http://www.elsevier.com/about/research-data/open-data) and encourages authors to make their data available through a repository, and facilitate re-use by making use of the open access journal Data-in-Brief (http://www.journals.elsevier.com/data-in-brief/), for a reduced fee if submitted directly through Computation Materials Science. For more information, please see: http://www.materialstoday.com/computational-materials-science-data-in-brief/

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Palabras clave – provistas por la editorial

No disponibles.

Disponibilidad
Institución detectada Período Navegá Descargá Solicitá
No detectada desde oct. 1992 / hasta dic. 2023 ScienceDirect

Información

Tipo de recurso:

revistas

ISSN impreso

0927-0256

ISSN electrónico

1879-0801

Editor responsable

Elsevier

País de edición

Países Bajos

Fecha de publicación

Tabla de contenidos

Theoretical investigation of hydrogen storage ability of a carbon nanohorn

G. Chen; Q. Peng; H. Mizuseki; Y. Kawazoe

Palabras clave: Computational Mathematics; General Physics and Astronomy; Mechanics of Materials; General Materials Science; General Chemistry; General Computer Science.

Pp. S378-S382

Nanomechanics of single walled carbon nanotube with water interactions under axial tension by using molecular dynamics simulation

V. Vijayaraghavan; C.H. Wong

Palabras clave: Computational Mathematics; General Physics and Astronomy; Mechanics of Materials; General Materials Science; General Chemistry; General Computer Science.

Pp. 519-526

Atomistic-scale simulations of mechanical behavior of suspended single-walled carbon nanotube bundles under nanoprojectile impact

Dongrong Liu; Lin Yang; Xiaodong He; Rongguo Wang; Quantian Luo

Palabras clave: Computational Mathematics; General Physics and Astronomy; Mechanics of Materials; General Materials Science; General Chemistry; General Computer Science.

Pp. 237-243

Nanomechanics and modelling of hydrogen stored carbon nanotubes under compression for PEM fuel cell applications

V. Vijayaraghavan; Jacob F.N. Dethan; A. Garg

Palabras clave: Computational Mathematics; General Physics and Astronomy; Mechanics of Materials; General Materials Science; General Chemistry; General Computer Science.

Pp. 176-183

Tensile strength and failure mechanism of hcp zirconium nanowires: Effect of diameter, temperature and strain rate

Vildan GuderORCID; Sedat SengulORCID

Palabras clave: Computational Mathematics; General Physics and Astronomy; Mechanics of Materials; General Materials Science; General Chemistry; General Computer Science.

Pp. 109551

Probing the atomic-scale deformation mechanism of single-crystal nanowires coated with a multi-component alloyed shell

Kefu GanORCID; Dingshun Yan; Yong Zhang

Palabras clave: Computational Mathematics; General Physics and Astronomy; Mechanics of Materials; General Materials Science; General Chemistry; General Computer Science.

Pp. 112056

Atomistic simulations of temperature-induced switchable morphology in graphene nanodrum

Yang ChenORCID; Zhengrong Guo; Tienchong Chang

Palabras clave: Computational Mathematics; General Physics and Astronomy; Mechanics of Materials; General Materials Science; General Chemistry; General Computer Science.

Pp. 112102