Zobrazeno 1 - 10
of 331
pro vyhledávání: '"Carrete, J"'
Nested sampling is a promising method for calculating phase diagrams of materials, however, the computational cost limits its applicability if ab-initio accuracy is required. In the present work, we report on the efficient use of a neural-network for
Externí odkaz:
http://arxiv.org/abs/2308.11426
Publikováno v:
Appl. Phys. Lett. 103, 103902 (2013)
Zinc antimony stands out among thermoelectrics because of its very low lattice thermal conductivity, close to the amorphous limit. Understanding the physical reason behind such an unusual crystal property is of fundamental interest for the design of
Externí odkaz:
http://arxiv.org/abs/1810.10679
Autor:
Carrete, J., Vermeersch, B., Thumfart, L., Kakodkar, R. R., Trevisi, G., Frigeri, P., Seravalli, L., Feser, J. P., Rastelli, A., Mingo, N.
We demonstrate an ab-initio predictive approach to computing the thermal conductivity ($\kappa$) of InAs/GaAs superlattices (SLs) of varying period, thickness, and composition. Our new experimental results illustrate how this method can yield good ag
Externí odkaz:
http://arxiv.org/abs/1710.03449
We report a density-functional-theoretic study of the stability and electronic structure of two recently proposed borophene sheets with Pmmn symmetry and nonzero thickness. We then investigate nanoribbons (BNRs) derived from these nanostructures, wit
Externí odkaz:
http://arxiv.org/abs/1610.05534
Publikováno v:
In Materials Today Physics June 2020 13
Publikováno v:
Physica A: Statistical Mechanics and its Applications, Volume 387, Issue 27, 1 December 2008, Pages 6752-6758
Microcanonical equations for several thermodynamic properties of a system, suitable for molecular dynamics simulations, are derived from the nonextensive Tsallis entropy functional. Two possible definitions of temperature, the usual one and a ``physi
Externí odkaz:
http://arxiv.org/abs/0802.3600
Publikováno v:
Phys. Rev. E 77, 022102 (2008)
Entropy production for a system not in the thermodynamic limit is formulated using Hill's nanothermodynamics, in which a macroscopic ensemble of such systems is considered. External influence of the environment on the average nanosystem is connected
Externí odkaz:
http://arxiv.org/abs/0710.4771
Autor:
Varela, L.M., Méndez-Morales, T., Carrete, J., Gómez-González, V., Docampo-Álvarez, B., Gallego, L.J., Cabeza, O., Russina, O.
Publikováno v:
In Journal of Molecular Liquids October 2015 210 Part B:178-188
Autor:
Russina, O., Caminiti, R., Méndez-Morales, T., Carrete, J., Cabeza, O., Gallego, L.J., Varela, L.M., Triolo, A.
Publikováno v:
In Journal of Molecular Liquids May 2015 205:16-21
Publikováno v:
In International Journal of Hydrogen Energy 20 April 2015 40(14):4960-4968