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Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…

Materials Science · Physics 2009-09-29 Mihail Vladkov , J. -L. Barrat

Controlling thermal energy transfer at the nanoscale has become critically important in many applications and thermal properties since it often limits device performance. In this work, we study the effects on thermal conductivity arising…

Understanding heat transport at the nanometer scale is critical for semiconductor devices, quantum materials, and thermal management of nanostructures, yet direct local measurements of thermal conductivity and heat capacity remain scarce.…

The nanoparticle packed bed (NPB) as a kind of promising thermal insulation materials has drawn widely concern because of their quite low thermal conductivities (k). In this paper, based on the concept that NPB morphology enable low k, we…

Applied Physics · Physics 2020-01-15 Zizhen Lin , Congliang Huang

Structural characteristics are considered to be the dominant factors in determining the effective properties of granular media, particularly in the scope of transport phenomena. Towards improved heat management, thermal transport in…

Soft Condensed Matter · Physics 2018-09-06 Weijing Dai , Dorian Hanaor , Yixiang Gan

The thermal response function given to a unit-step dissipation accurately characterizes the thermal system. Instead of the thermal response function the so-called structure function describing three-dimensional as the equivalent model of…

Materials Science · Physics 2007-09-13 E. Kollár , V. Szekely

We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Weber potentials via artificial neural networks. Our findings…

Materials Science · Physics 2023-11-20 Rafat Mohammadi , Behrad Karimi , John Kieffer , Daniel Hashemi

As the interface between human and machine becomes blurred, hydrogel incorporated electronics and devices have emerged to be a new class of flexible/stretchable electronic and ionic devices due to their extraordinary properties, such as…

Soft Condensed Matter · Physics 2017-05-04 Ni Tang , Zhan Peng , Rulei Guo , Meng An , Xiaobo Li , Nuo Yang , Jianfeng Zang

Simulation results of the thermal conductivity ${\cal L}$ of Dissipative Particle Dynamics model with Energy Conservation (DPDE) are reported. We also present an analysis of the transport equations and the transport coefficients for DPDE…

Statistical Mechanics · Physics 2015-06-24 Josep Bonet Avalos , Allan D. Mackie

A custom apparatus designed to isolate and replicate the spreading process of metal powder in additive manufacturing demonstrates a sudden and unexplained increase in packing density beyond layers 5 to 10. We replicate the experiments that…

In this paper thermal conductivity and thermal diffusivity of a two layer system is examined from the theoretical point of view. We use the one dimensional heat diffusion equation with the appropriate solution in each layer and boundary…

Condensed Matter · Physics 2009-10-28 G. Gonzalez de la Cruz , Yu. G. Gurevich

Thermal conductivities are routinely calculated in molecular dynamics simulations by keeping the boundaries at different temperatures and measuring the slope of the temperature profile in the bulk of the material, explicitly using Fourier's…

Statistical Mechanics · Physics 2021-04-13 Yuanyang Ren , Kai Wu , David Cubero

Thermally aware design of 2.5D and 3D advanced packaging systems will require fast, accurate, and powerful thermal analysis of chiplets, stacks, and packages. These systems contain multiple materials with non-linear heat transfer properties…

The energy dependent thermoelectric response of a single molecule contains valuable information about its transmission function and its excited states. However, measuring it requires devices that can efficiently heat up one side of the…

Introducing a reduced particle stiffness in discrete element method (DEM) allows for bigger time steps and therefore fewer total iterations in a simulation. Although this approach works well for dry non-adhesive particles, it has been shown…

Soft Condensed Matter · Physics 2018-10-17 Sheng Chen , Wenwei Liu , Shuiqing Li

Disordered forms of carbon are an important class of materials for applications such as thermal management. However, a comprehensive theoretical understanding of the structural dependence of thermal transport and the underlying microscopic…

Materials Science · Physics 2024-12-13 Yanzhou Wang , Zheyong Fan , Ping Qian , Miguel A. Caro , Tapio Ala-Nissila

A new model for predicting the effective thermal conductivity of polycrystalline materials is presented. In contrast to existing models, our new model is based on the thin-interface description of grain boundaries (GBs) and treats GBs as an…

Materials Science · Physics 2020-07-22 fergany Badry , Karim Ahmed

Thermal conductivity measurement techniques for materials with nanoscale dimensions require fabrication of very complicated devices or their applicability is limited to a class of materials. Discovery of new methods with high thermal…

There are several models for the effective thermal conductivity of two-phase composite materials in terms of the conductivity of the solid and the disperse material. In this paper, we generalise three models of Maxwell type (namely, the…

Materials Science · Physics 2019-01-01 Kristian B. Kiradjiev , Svenn Anton Halvorsen , Robert A. Van Gorder , Sam D. Howison

Understanding how pore structure influences flow and transport behaviour in granular materials is essential for addressing a wide range of geotechnical, hydraulic, and environmental challenges. These processes are largely shaped by the…

Soft Condensed Matter · Physics 2025-12-01 Jie Qi , Wenbin Fei , Guillermo A. Narsilio