Related papers: Numerical Modeling of Effective Thermal Conductivi…
With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly important. This study presents a novel method: the Site-projected Thermal Conductivity…
mDCThermalC is a program written in Python for computing lattice thermal conductivity of crystalline bulk materials using the modified Debye-Callaway model. Building upon the traditional Debye-Callaway theory, the modified model obtains the…
To assess the durability of structures, heat and moisture transport need to be analyzed. To provide a reliable estimation of heat and moisture distribution in a certain structure, one needs to include all available information about the…
We calculate the temperature dependence of the transport properties of heavy-fermion systems such as resistivity, optical conductivity, thermoelectric power, the electronic part of the thermal conductivity, and the "figure of merit." The…
We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…
Controlling the transport of thermal energy is key to most applications of metal-organic frameworks. Analyzing the evolution of the effective local temperature, the interfaces between the metal nodes and the organic linkers are identified…
Ultrahigh lattice thermal conductivity materials hold great importance since they play a critical role in the thermal management of electronic and optical devices. Models using machine learning can search for materials with outstanding…
The efficiency of thermal pressurisation as a dynamic weakening mechanism relies on the thermal and hydraulic properties of the rocks forming the fault core. Here, we assess the effectiveness of thermal pressurisation by comparing…
Accurate evaluation of the thermal conductivity of a material can be a challenging task from both experimental and theoretical points of view. In particular for the nanostructured materials, the experimental measurement of thermal…
Finite element method (FEM) modeling of the volumetric expansion phenomenon associated with the accumulation of irradiation was performed on rocks in a concrete for nuclear power plant. The FEM mesh of sandstone, tuff, and granite was…
With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions using classical molecular dynamics (MD) simulations. Considering…
Linear-scaling electronic structure methods based on the calculation of moments of the underlying electronic Hamiltonian offer a computationally efficient and numerically robust scheme to drive large-scale atomistic simulations, in which…
We establish an approach to compute linear-response functions to elucidate heat waves and non-local thermal transport. The theory is able to describe the response of a system to external heat sources that are nonuniform in space and time.…
Thermal conductivity of compacted bentonite is one of the most important properties in the design of high-level radioactive waste repositories where this material is proposed for use as a buffer. In the work described here, a thermal probe…
We present a rigorous asymptotic analysis framework for investigating the thermal conductivity of shell lattice metamaterials, extending prior work from mechanical stiffness to heat transfer. Central to our analysis is a new metric, the…
Instantaneous heat transfer between different phases is a common assumption for modeling heat transfer in porous media, known as Local Thermal Equilibrium (LTE). This assumption may not hold in certain technical and environmental…
The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…
Metallic glasses are a promising class of materials celebrated for their exceptional thermal and mechanical properties. However, accurately predicting and understanding the melting temperature (T_m) and glass transition temperature (T_g)…
Understanding heat transport in low-dimensional and nano-architectured materials remains a central challenge in nonequilibrium statistical physics due to persistent deviations from Fourier's law. These deviations are driven by…
In this paper, we present an Online Generalized Multiscale Finite Element Method(Online GMsFEM) for heat and mass transfer problem in heterogeneous media with artificial ground freezing pipes. The mathematical model of the process is based…