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pro vyhledávání: '"Arnaud Marmier"'
Autor:
Arnaud Marmier
Publikováno v:
Mechanical Behaviour of Metal – Organic Framework Materials ISBN: 9781839164088
This chapter describes in detail the framework of anisotropic elasticity to introduce exotic elastic and thermoelastic properties that are often prevalent and extreme in MOFs: negative linear compressibility (NLC), negative thermal expansion (NTE) an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3c64681b8b8af00bbff320105efb16ed
https://doi.org/10.1039/9781839166594-00065
https://doi.org/10.1039/9781839166594-00065
Publikováno v:
Materials Today Communications. 35:105810
Autor:
Arnaud Marmier, João Pedro Paiva, Mohamedosman Elmalik, Joshua Toudup, Alexander Kirke, Kenneth E. Evans, Stefan Biesheuvel, Max P. Langhof
Publikováno v:
Materials Letters. 210:255-257
The microstructure of wood is highly anisotropic, which suggests that this material could exhibit unusual elastic properties. A few studies have suggested the possibility of auxeticity, or negative Poisson’s ratio (NPR) in some wood samples. In ord
Publikováno v:
Symington, A, Molinari, M, Parker, S, Marmier, A & Tse, J 2019, ' surfinpy: A Surface Phase Diagram Generator ', The Journal of Open Source Software, vol. 4, no. 34, 1210 . https://doi.org/10.21105/joss.01210
A surface phase diagram is a graphical representation of the different physical states of a surface under different conditions. The surface represents the first point of contact between the material and the environment. Thus, understanding the state
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
Journal of physical chemistry. C 120 (2016): 5624–5629. doi:10.1021/acs.jpcc.5b09867
info:cnr-pdr/source/autori:Cecchini, Raimondo; Kohary, Krisztian; Fernandez, Asuncion; Cabibbo, Marcello; Marmier, Arnaud/titolo:Determination of the Anisotropic Elastic Properties of Rocksalt Ge2Sb2Te5 by XRD, Residual Stress, and DFT/doi:10.1021%2Facs.jpcc.5b09867/rivista:Journal of physical chemistry. C/anno:2016/pagina_da:5624/pagina_a:5629/intervallo_pagine:5624–5629/volume:120
instname
Journal of physical chemistry. C 120 (2016): 5624–5629. doi:10.1021/acs.jpcc.5b09867
info:cnr-pdr/source/autori:Cecchini, Raimondo; Kohary, Krisztian; Fernandez, Asuncion; Cabibbo, Marcello; Marmier, Arnaud/titolo:Determination of the Anisotropic Elastic Properties of Rocksalt Ge2Sb2Te5 by XRD, Residual Stress, and DFT/doi:10.1021%2Facs.jpcc.5b09867/rivista:Journal of physical chemistry. C/anno:2016/pagina_da:5624/pagina_a:5629/intervallo_pagine:5624–5629/volume:120
The chalcogenide material GeSbTe is the prototype phase-change material, with widespread applications for optical media and random access memory. However, the full set of its independent elastic properties has not yet been published. In this study, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de8d0431c6155b80fbcb2f2abb1f0f87
http://hdl.handle.net/10261/190985
http://hdl.handle.net/10261/190985
Publikováno v:
The Journal of Physical Chemistry C. 116:13240-13251
We report atom-level simulations of the surface selectivity and the resulting surface phase diagrams for the {100}, {110}, {111}, and {310} surfaces of CaO and MgO as a function of varying CO2 and H2O partial pressures. This work extends the traditio
Publikováno v:
Mechanics of Materials. 46:123-128
Most materials compress axially in all directions when loaded hydrostatically. Contrary to this, some materials have been discovered that exhibit negative linear compressibility and, as such, expand along a specific axis or plane. This paper analyses
Autor:
Kenneth E. Evans, Chris Smith, Arnaud Marmier, Richard I. Walton, Stephen C. Parker, Zoe A. D. Lethbridge
Publikováno v:
Computer Physics Communications. 181:2102-2115
The continuum theory of elasticity has been used for more than a century and has applications in many fields of science and engineering. It is very robust, well understood and mathematically elegant. In the isotropic case elastic properties are easil
Publikováno v:
Acta Materialia. 58:6444-6451
The relationship between elastic anisotropy and extreme Poisson’s ratio behaviour (either positive or negative) in single-crystalline materials has been investigated using experimentally determined single-crystal elastic constants for a wide range
Autor:
R. P. Bruin, Ilian T. Todorov, Helen F. Chappell, Stephen C. Parker, I Frame, Martin T. Dove, J. M. Pruneda, T. O. H. White, Arnaud Marmier, Andrew Walker, Kostya Trachenko, Gen-Tao Chiang, Kerstin Kleese van Dam, Kat Austen, M. Calleja, Emilio Artacho, Andrew L. Goodwin, R. P. Tyer, Ekhard K. H. Salje
Publikováno v:
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 367:967-985
We review the work carried out within the e Minerals project to develop eScience solutions that facilitate a new generation of molecular-scale simulation work. Technological developments include integration of compute and data systems, developing of