相关论文: Temperature Effects in the thermal conductivity of…
After a review of temperature-dependent experimental x-ray absorption near-edge structure (XANES) and related theoretical developments, we present the Al K-edge XANES spectra of corundum and beryl for temperature ranging from 300K to 930K.…
The design of low temperature bolometric detectors for rare event searches necessitates careful selection and characterization of structural materials based on their thermal properties. We measure the thermal conductivities of…
Polytetrafluoroethylene can be considered as a model for calorimetric studies of complex systems with thermodynamics transitions at ambient temperature. This polymer exhibits two phase transitions of different nature at 292 K and 303 K. We…
Loosely packed granular materials are intensively studied nowadays. Electrical and thermal transport properties should reflect the granular structure as well as intrinsic properties. We have compacted crystalline $CaAl$ based metallic…
We report an anomalous temperature-induced transition in thermal conductivity in germanene monolayer around a critical temperature $T_c = 350 \, \text{K}$. Equilibrium molecular dynamics simulations reveal a transition from $\kappa \sim…
The multifaceted applications of polymers are often limited by their thermal conductivity. Therefore, understanding the mechanisms of thermal transport in polymers is of vital interest. Here, we leverage molecular layer deposition to grow…
1,2-Ethanediol, 1,2-propanediol and their aqueous solutions are widely used as heat transfer fluids. Their thermal conductivity is a vital physical property, yet there are only few reports in literature. In this paper, thermal conductivity…
Additive manufacturing parameters of high-performance polymers greatly affect the thermal history and consequently quality of the end-part. For fused deposition modeling (FDM), this may include printing speed, filament size, nozzle, and…
In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal conductivity is investigated using non-equilibrium molecular…
Semi-crystalline polymers have been shown to have greatly increased thermal conductivity compared to amorphous bulk polymers due to effective heat conduction along the covalent bonds of the backbone. However, the mechanisms governing the…
Molecular process of crystallization from an oriented amorphous state was reproduced by molecular dynamics simulation for a realistic polyethylene model. Initial oriented amorphous state was obtained by uniaxial drawing an isotropic glassy…
Tuning the heat flow is fundamentally important for the design of advanced functional materials. Here, polymers are of particular importance because they provide different pathways for the energy transfer. More specifically, the heat flow…
Parylene C thin films have significant applications in advanced packaging of microelectronics. Their thermal properties are critical for thermal management of electronic devices. However, a unified understanding of the tunable structure and…
Low thermal conductivity of polymers, which is one of the considerable drawbacks of commonly used composite structures, has been the focus of many researchers aiming to achieve high-performance polymer-based nanocomposites through the…
The plastic deformation of Polybutylene terephthalate (PBT) is investigated at three temperatures (120$^\circ$C, 150$^\circ$C, 180$^\circ$C) representative of the span between glass transition, $T_g \approx 55^\circ$C and melting $T_m…
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…
Motivated by recent experiments, we present here a systematic ab-initio study of the length dependence of the thermal conductance of single-molecule junctions. We make use of a combination of density functional theory with non-equilibrium…
First principle calculations are performed to investigate the effect of polar order strength on the thermoelectric (TE) properties of GeTe alloy in its rhombohedral structure. The variation in the polarization state using various…
Molecular dynamics simulations are increasingly being used to investigate the structural evolution of polymers during mechanical deformation, but relatively few studies focus on the influence of boundary conditions on this evolution, in…
Edge-localized-mode (ELM) filaments are crucial for cross-field transport at the tokamak edge; yet, their dynamics are often analyzed using the cold-ion approximation, despite experimental data indicating that Ti~Te . This study employs a…