Related papers: An efficient algorithm to calculate intrinsic ther…
This work presents a general thermodynamic approach to describe particle diffusion on a lattice, a model used to study transport processes in solids and on surfaces. By treating each lattice site as an open thermodynamic system, the effects…
An important step to incorporate information in the second law of thermodynamics was done by Landauer, showing that the erasure of information implies an increase in heat. Most attempts to justify Landauer's erasure principle are based on…
We study driven finite quantum systems in contact with a thermal reservoir in the regime in which the system changes slowly in comparison to the equilibration time. The associated isothermal adiabatic theorem allows us to control the full…
Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we present a general first-principles approach to predict, in…
The construction of models from data is a significant contributor to the energetic costs of computation. Because of this, understanding how foundational thermodynamic bounds apply to modeling algorithms will be increasingly important. Here,…
A method combining the Lagrange-mesh and the complex Kohn variational methods is developed for computing the $\mathcal{S}$ matrix of a 2$+$1 elastic scattering in the frame of three-body Coulomb systems. Resonance parameters can be obtained…
This study presents fast and accurate analytical methods for transient thermal modeling in multi-layer composites with an arbitrary number of layers. The proposed approach accounts for internal heat generation and non-homogeneities in the…
We present a general method for calculating coherent electronic transport in quantum wires and tunnel junctions. It is based upon a real space high order finite difference representation of the single particle Hamiltonian and wave…
The Landauer principle sets a fundamental thermodynamic constraint on the minimum amount of heat that must be dissipated to erase one logical bit of information through a quasi-statically slow protocol. For finite time information erasure,…
We report the machine learning (ML)-based approach allowing thermoelectric generator (TEG) efficiency evaluation directly from 5 parameters: 2 physical properties - carriers density and energy gap, and 3 engineering parameters - external…
Ordinary differential equations (ODEs) are widely used to describe dynamical systems in science, but identifying parameters that explain experimental measurements is challenging. In particular, although ODEs are differentiable and would…
The space- and temperature-dependent electron distribution $n(r,T)$ determines optoelectronic properties of disordered semiconductors. It is a challenging task to get access to $n(r,T)$ in random potentials, avoiding the time-consuming…
The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resulting from all relevant phonon interactions…
A quantum limit of the thermoelectric efficiency for heterogeneous media with weak links is established with a use of the Landauer-type formulae.
In this work we explore the use of thermodynamic length to improve the performance of experimental protocols. In particular, we implement Landauer erasure on a driven electron level in a semiconductor quantum dot, and compare the standard…
Spatially-resolved heating and cooling in nanostructures is nowadays measured with various nanoscale thermometry techniques, including scanning thermometry. Yet the most commonly used theory of nanoscale heating and thermoelectricity --…
Materials with ring-shaped electronic bands are promising thermoelectric candidates, since their unusual dispersion shape is predicted to give large power factors. While previous calculations of these materials have relied on the assumption…
In this work, we introduce new integral formulations based on the convolution quadrature method for the time-domain modeling of perfectly electrically conducting scatterers that overcome some of the most critical issues of the standard…
The dispersion laws of Langmuir and transverse waves are calculated in the relativistic non-magnetized formalism for several isotropic particle distributions: thermal, power-law, relativistic Lorentzian $\kappa,$ and hybrid $\beta$. For…
To further reduce the lattice thermal conductivity of thermoelectric materials, the technique of embedding nano-inclusions into bulk matrix materials, in addition to point defect scattering via alloying, was widely applied. Differential…