Zobrazeno 1 - 10
of 200
pro vyhledávání: '"harju, Ari"'
Autor:
Kumar, Avijit, Banerjee, Kaustuv, Ervasti, Mikko M., Kezilebieke, Shawulienu, Dvorak, Marc, Rinke, Patrick, Harju, Ari, Liljeroth, Peter
Publikováno v:
ACS Nano 15(6), 9945 (2021)
Organic charge-transfer complexes (CTCs) formed by strong electron acceptor and strong electron donor molecules are known to exhibit exotic effects such as superconductivity and charge density waves. We present a low-temperature scanning tunneling mi
Externí odkaz:
http://arxiv.org/abs/2102.09275
Autor:
Fan, Zheyong, Garcia, Jose Hugo, Cummings, Aron W., Barrios-Vargas, Jose Eduardo, Panhans, Michel, Harju, Ari, Ortmann, Frank, Roche, Stephan
In recent years, predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed matter, including Dirac and topological materials. The simulation of qu
Externí odkaz:
http://arxiv.org/abs/1811.07387
Publikováno v:
Phys. Rev. B 97, 094305 (2018)
Molecular dynamics simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using Fourier's law in
Externí odkaz:
http://arxiv.org/abs/1805.00269
Publikováno v:
Phys. Rev. B 99, 064308 (2019)
The standard equilibrium Green-Kubo and nonequilibrium molecular dynamics (MD) methods for computing thermal transport coefficients in solids typically require relatively long simulation times and large system sizes. To this end, we revisit here the
Externí odkaz:
http://arxiv.org/abs/1805.00277
Autor:
Azizi, Khatereh, Hirvonen, Petri, Fan, Zheyong, Harju, Ari, Elder, Ken R, Ala-Nissila, Tapio, Allaei, S Mehdi Vaez
Publikováno v:
Carbon 125, 384 (2017)
We study heat transport across individual grain boundaries in suspended monolayer graphene using extensive classical molecular dynamics (MD) simulations. We construct bicrystalline graphene samples containing grain boundaries with symmetric tilt angl
Externí odkaz:
http://arxiv.org/abs/1709.09529
Autor:
Fan, Zheyong, Hirvonen, Petri, Pereira, Luiz, Ervasti, Mikko, Elder, Ken, Donadio, Davide, Harju, Ari, Ala-Nissila, Tapio
Grain boundaries in graphene are inherent in wafer-scale samples prepared by chemical vapor deposition. They can strongly influence the mechanical properties and electronic and heat transport in graphene. In this work, we employ extensive molecular d
Externí odkaz:
http://arxiv.org/abs/1709.09498
Publikováno v:
Phys. Rev. B 96, 064511 (2017)
We study the dynamics of the Bogoliubov wave packet in superconductors and calculate the supercurrent carried by the wave packet. We discover an anomalous contribution to the supercurrent, related to the quantum metric of the Bloch wave function. Thi
Externí odkaz:
http://arxiv.org/abs/1705.04542
We present GPUQT, a quantum transport code fully implemented on graphics processing units. Using this code, one can obtain intrinsic electronic transport properties of large systems described by a real-space tight-binding Hamiltonian together with on
Externí odkaz:
http://arxiv.org/abs/1705.01387
Autor:
Mortazavi, Bohayra, Lherbier, Aurélien, Fan, Zheyong, Harju, Ari, Rabczuk, Timon, Charlier, Jean-Christophe
Publikováno v:
Nanoscale, 2017, 9, 16329 - 16341
For centuries, cutting and folding the papers with special patterns have been used to build beautiful, flexible and complex three-dimensional structures. Inspired by the old idea of kirigami (paper cutting), and the outstanding properties of graphene
Externí odkaz:
http://arxiv.org/abs/1704.03685
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