Zobrazeno 1 - 10
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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
Autor:
Wanzenböck R; Institute of Materials Chemistry, TU Wien 1060 Vienna Austria georg.madsen@tuwien.ac.at., Heid E; Institute of Materials Chemistry, TU Wien 1060 Vienna Austria georg.madsen@tuwien.ac.at., Riva M; Institute of Applied Physics, TU Wien 1040 Vienna Austria., Franceschi G; Institute of Applied Physics, TU Wien 1040 Vienna Austria., Imre AM; Institute of Applied Physics, TU Wien 1040 Vienna Austria., Carrete J; Instituto de Nanociencia y Materiales de Aragón, CSIC-Universidad de Zaragoza 50009 Zaragoza Spain., Diebold U; Institute of Applied Physics, TU Wien 1040 Vienna Austria., Madsen GKH; Institute of Materials Chemistry, TU Wien 1060 Vienna Austria georg.madsen@tuwien.ac.at.
Publikováno v:
Digital discovery [Digit Discov] 2024 Sep 16; Vol. 3 (10), pp. 2137-2145. Date of Electronic Publication: 2024 Sep 16 (Print Publication: 2024).
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:
Pan L; Department of Physics, Guangxi University, Nanning 530004, China.; Institute of Materials Chemistry, TU Wien, 1060 Vienna, Austria., Carrete J; Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC-Universidad de Zaragoza, E-50009 Zaragoza, Spain.; Institute of Materials Chemistry, TU Wien, 1060 Vienna, Austria., Wang Z; Department of Physics, Guangxi University, Nanning 530004, China., Madsen GKH; Institute of Materials Chemistry, TU Wien, 1060 Vienna, Austria.
Publikováno v:
The journal of physical chemistry. C, Nanomaterials and interfaces [J Phys Chem C Nanomater Interfaces] 2024 Jun 22; Vol. 128 (26), pp. 11024-11032. Date of Electronic Publication: 2024 Jun 22 (Print Publication: 2024).
Autor:
Cazorla C; Departament de Física, Universitat Politècnica de Catalunya, Campus Nord B4-B5, Barcelona 08034, Spain., Bichelmaier S; Institute of Materials Chemistry, TU Wien, A-1060 Vienna, Austria., Escorihuela-Sayalero C; Departament de Física, Universitat Politècnica de Catalunya, Campus Nord B4-B5, Barcelona 08034, Spain., Íñiguez J; Materials Research and Technology Department, Luxembourg Institute of Science and Technology (LIST), Avenue des Hauts-Fourneaux 5, L-4362 Esch/Alzette, Luxembourg.; Department of Physics and Materials Science, University of Luxembourg, 41 Rue du Brill, L-4422 Belvaux, Luxembourg., Carrete J; Institute of Materials Chemistry, TU Wien, A-1060 Vienna, Austria., Rurali R; Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus UAB, 08193 Bellaterra, Spain. rrurali@icmab.es.
Publikováno v:
Nanoscale [Nanoscale] 2024 May 02; Vol. 16 (17), pp. 8335-8344. Date of Electronic Publication: 2024 May 02.