From Thermal Rectifiers to Thermoelectric Devices

Benenti, Giuliano; Casati, Giulio; Mejía‐Monasterio, Carlos; Peyrard, Michel

doi:10.1007/978-3-319-29261-8_10

Cited by 37 publications

(37 citation statements)

References 166 publications

(271 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The discovery of thermal rectification in lowdimensional non-linear lattice models [61,62] fostered significant efforts to identify efficient thermal diodes [63][64][65], which would lay the cornerstone of nanophononic circuitry [2,66]. In this context NEMD has been extensively used to probe thermal rectification in asymmetric graphene-based nanodevices, including branched nanoribbons, triangular patches and multilayer junctions [67][68][69][70][71].…”

Section: F Thermal Rectification In Asymmetric Graphene-based Systemsmentioning

confidence: 99%

Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids

Xiong

Sievers

et al. 2019

The Journal of Chemical Physics

166

View full text Add to dashboard Cite

Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at different temperatures are used to generate a nonequilibrium steady state with a constant heat flux. Conventionally, the thermal conductivity of a finite system is calculated as the ratio between the heat flux and the temperature gradient extracted from the linear part of the temperature profile away from the local thermostats. Here we show that, with a proper choice of the thermostat, the nonlinear part of the temperature profile should actually not be excluded in thermal transport calculations. We compare NEMD results against those from the atomistic Green's function method in the ballistic regime, and those from the homogeneous nonequilibrium molecular dynamics method in the ballistic-to-diffusive regime. These comparisons suggest that in all the transport regimes, one should directly calculate the thermal conductance from the temperature difference between the heat source and sink and, if needed, convert it to the thermal conductivity by multiplying it with the system length. Furthermore, we find that the Langevin thermostat outperforms the Nosé-Hoover (chain) thermostat in NEMD simulations because of its stochastic and local nature. We show that this is particularly important for studying asymmetric carbon-based nanostructures, for which the Nosé-Hoover thermostat can produce artifacts leading to unphysical thermal rectification. Our findings are important to obtain correct results from molecular dynamics simulations of nanoscale heat transport as the accuracy of the interatomic potentials is rapidly improving. :1905.11024v1 [cond-mat.mes-hall] arXiv

show abstract

Section: F Thermal Rectification In Asymmetric Graphene-based Systemsmentioning

confidence: 99%

Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids

Xiong

Sievers

et al. 2019

The Journal of Chemical Physics

166

View full text Add to dashboard Cite

show abstract

“…Some works relied, as in [2], on a chain segmented into two or more regions with different properties, but using other lattice models such as the Frenkel-Kontorova (FK) model [12,13]. The fundamental ingredient for having rectification was attributed to nonlinear forces in the chain [5,[12][13][14][15][16], which lead to a temperature dependence of the phonon bands or power spectral densities. The bands may match or mismatch at the interfaces depending on the sign of the temperature bias of the baths, allowing or obstructing heat flow [2,17].…”

Section: Introductionmentioning

confidence: 99%

Asymmetric heat transport in ion crystals

et al. 2019

View full text Add to dashboard Cite

We numerically demonstrate heat rectification for linear chains of ions in trap lattices with graded trapping frequencies, in contact with thermal baths implemented by optical molasses. To calculate the local temperatures and heat currents we find the stationary state by solving a system of algebraic equations. This approach is much faster than the usual method that integrates the dynamical equations of the system and averages over noise realizations. * miguelangel.simon@ehu.eus † jg.muga@ehu.es

show abstract

“…This is a particularly fascinating challenge for future nanotechnologies where quantum mechanics is necessary for an accurate description (for reviews see, e.g. [1][2][3][4][5][6][7][8][9][10][11][12]). Aspects of this quest include the study of the role of coherence and entanglement, quantum measurements, minimum temperature achievable in small quantum chillers, quantum statistics and quantum fluctuations as well as feedback effects [13,14] and engineered non-equilibrium distributions for the baths [15].…”

Section: Introductionmentioning

confidence: 99%

Minimal motor for powering particle motion from spin imbalance

et al. 2017

Self Cite

View full text Add to dashboard Cite

We introduce a minimalistic quantum motor for coupled energy and particle transport. The system is composed of two spins, each coupled to a different bath and to a particle which can move on a ring consisting of three sites. We show that the energy flowing from the baths to the system can be partially converted to perform work against an external driving, even in the presence of moderate dissipation. We also analytically demonstrate the necessity of coupling between the spins. We suggest an experimental realization of our model using trapped ions or quantum dots.

show abstract

From Thermal Rectifiers to Thermoelectric Devices

Cited by 37 publications

References 166 publications

Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids

Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids

Asymmetric heat transport in ion crystals

Minimal motor for powering particle motion from spin imbalance

Contact Info

Product

Resources

About