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Accelerating the Design of Solar Thermal Fuel Materials through High Throughput Simulations

Author
YUN LIU1 ; GROSSMAN, Jeffrey C1
[1] Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
Source

Nano letters (Print). 2014, Vol 14, Num 12, pp 7046-7050, 5 p ; ref : 23 ref

ISSN
1530-6984
Scientific domain
General chemistry, physical chemistry; Crystallography; Nanotechnologies, nanostructures, nanoobjects; Condensed state physics
Publisher
American Chemical Society, Washington, DC
Publication country
United States
Document type
Article
Language
English
Keyword (fr)
Analyse structurale Calcul ab initio Conversion énergie Densité élevée Densité énergie Enthalpie Etat métastable Haute énergie Propriété thermodynamique Simulation numérique Structure moléculaire Transformation phase 6470N 6580 6865 8260Q
Keyword (en)
Structural analysis Ab initio calculations Energy conversion High density Energy density Enthalpy Metastable states High energy Thermodynamic properties Digital simulation Molecular structure Phase transformations
Keyword (es)
Análisis estructural Densidad elevada Alta energía
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60D Equations of state, phase equilibria, and phase transitions / 001B60D70 Specific phase transitions / 001B60D70N Structural transitions in nanoscale materials

Pascal
001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60E Thermal properties of condensed matter / 001B60E80 Thermal properties of small particles, nanocrystals, nanotubes

Pascal
001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60H Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) / 001B60H65 Low-dimensional structures (superlattices, quantum well structures, multilayers): structure, and nonelectronic properties

Pascal
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01E Chemical thermodynamics / 001C01E02 Thermodynamic properties

Discipline
General chemistry and physical chemistry Physics of condensed state : structure, mechanical and thermal properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
29062640

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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