arXiv subjects

Yuwen Zhang

Publications and source records attributed to Yuwen Zhang.

At least 55 records · Page 3Linked to original sources

arXiv2016

Molecular Dynamics Simulation of Condensation on Nanostructured Surface in a Confined Space

Understanding heat transfer characteristics of phase change and enhancing thermal energy transport in nanoscale are of great interest in both theoretical and practical applications. In the present study, we investigated the nanoscale vaporization and condensation by using molecular dynamics simulation. A cuboid system is modeled by placing hot and cold walls in the bottom and top ends and filling with working fluid between the two walls. By setting two different high temperatures for the hot wall, we showed the normal and explosive vaporizations and their impacts on thermal transport. For the cold wall, the cuboid nanostructures with fixed height, varied length, width ranging from 4 to 20 layers, and an interval of 4 layers are constructed to study the effects of condensation induced by different nanostructures. For vaporization, the results showed that higher temperature of the hot wall led to faster transport of the working fluid as a cluster moving from the hot wall to the cold wall. However, excessive temperature of the hot wall causes explosive boiling, which seems not good for the transport of heat due to the less phase change of working fluid. For condensation, the results indicate that nanostructure facilitates condensation, which could be affected not only by the increased surface area but also by the distances between surfaces of the nanostructures and the cold end. There is an optimal nanosctructure scheme which maximizes the phase change rate of the entire system.

physics.comp-ph↗

arXiv2016

Oscillatory Double-Diffusive Convection in a Horizontal Cavity with Soret and Dufour Effects

Oscillatory double-diffusive convection in horizontal cavity with Soret and Dufour effects is investigated numerically based on SIMPLE algorithm with QUICK scheme in non-uniform staggered grid system. The results show that double-diffusive convection develops from steady-state convection-dominated, periodic oscillatory, quasi-periodic oscillatory to chaotic flow, and finally return to periodic oscillation as buoyancy ratio increases. Moreover, fundamental frequency and fluctuation amplitude increase with buoyancy ratio. As Rayleigh number increases, transition trendy of oscillatory convection is similar to that of buoyancy ratio. But the return of periodic oscillation from chaos is not obtained as Rayleigh number increases. As aspect ratio decreases, the oscillatory convection evolves from periodic into steady-state. In addition, fundamental frequency increases at first and then decreases while fluctuation amplitude decreases with aspect ratio.

physics.comp-ph↗

arXiv2016

Atomistic-Continuum Hybrid Simulation of Heat Transfer between Argon Flow and Copper Plates

A simulation work aiming to study heat transfer coefficient between argon fluid flow and copper plate is carried out based on atomistic-continuum hybrid method. Navier-Stokes equations for continuum domain are solved through the Pressure Implicit with Splitting of Operators (PISO) algorithm, and the atom evolution in molecular domain is solved through the Verlet algorithm. The solver is validated by solving Couette flow and heat conduction problems. With both momentum and energy coupling method applied, simulations on convection of argon flows between two parallel plates are performed. The top plate is kept as a constant velocity and has higher temperature, while the lower one, which is modeled with FCC copper lattices, is also fixed but has lower temperature. It is found that, heat transfer between argon fluid flow and copper plate in this situation is much higher than that at macroscopic when the flow is fully developed.

physics.comp-ph↗

arXiv2016

Analysis of Cohesive Microsized Particle Packing Structure Using History-Dependent Contact Models

Granular packing structures of cohesive micro-sized particles with different sizes and size distributions, including mono-sized, uniform and Gaussian distribution, are investigated by using two different history dependent contact models with Discrete Element Method (DEM). The simulation is carried out in the framework of LIGGGHTS which is a DEM simulation package extended based on branch of granular package of widely used open-source code LAMMPS. Contact force caused by translation and rotation, frictional and damping forces due to collision with other particles or container boundaries, cohesive force, van der Waals force, and gravity are considered. The radial distribution functions (RDFs), force distributions, porosities, and coordination numbers under cohesive and non-cohesive conditions are reported. The results indicate that particle size and size distributions have great influences on the packing density for particle packing under cohesive effect: particles with Gaussian distribution have the lowest packing density, followed by the particles with uniform distribution; the particles with mono-sized distribution have the highest packing density. It is also found that cohesive effect to the system does not significantly affect the coordination number that mainly depends on the particle size and size distribution. Although the magnitude of net force distribution is different, the results for porosity, coordination number and mean value of magnitude of net force do not vary significantly between the two contact models.

physics.flu-dyn↗

arXiv2016

Ab initio determination of effective electron-phonon coupling factor in copper

The electron temperature dependent electron density of states, Fermi-Dirac distribution, and electron-phonon spectral function are computed as prerequisites before achieving effective electron-phonon coupling factor. The obtained coupling factor is implemented into a molecular dynamics (MD) and two-temperature model (TTM) coupled simulation of femtosecond laser heating. By monitoring temperature evolutions of electron and lattice subsystems, the result utilizing coupling factor from ab initio calculation, shows a faster decrease of electron temperature and increase of lattice temperature than those using coupling factor from phenomenological treatment. The approach of calculating coupling factor and its implementation into MD-TTM simulation is applicable to other metals.

physics.comp-ph↗

arXiv2016

A multiscale nonequilibrium model for melting of metal powder bed subjected to constant heat flux

A multiscale numerical model based on nonequilibrium thermal effect for melting of metal powder bed subjected to constant heat flux is developed. The volume shrinkage due to density change is taken into account. The nonequilibrium model is discretized by an implicit finite difference method and solved numerically using an iterative tri-diagonal matrix algorithm. The evolutions of powder bed surface temperature and various interfacial locations as well as the melting temperature range during the melting process are investigated. The results show that liquid region, upper and lower parts of mushy zone are formed on the top of unsintered zone as the melting progresses. The duration of the preheating stage shortens and the melting rate accelerates as the initial porosity or initial temperature increases while particle size has much less effect on the melting process. The parametric study shows the melting temperature range of the powder bed widens with increasing initial porosity, decreasing initial temperature or increasing particle size.

cond-mat.mtrl-sci↗

arXiv2016

Advances and Outlooks of Heat Transfer Enhancement by Longitudinal Vortex Generators

In the last several decades, heat transfer enhancements using extended surface (fins) has received considerable attentions. A new heat transfer enhancement technique, longitudinal vortex generators (LVG), has received significant attention since the 1990s. It is activated by a special type of extended surface that can generate vortices with axes parallel to the main flow direction. The vortices result from strong swirling secondary flow caused by flow separation and friction. The state-of-the-art on research and applications of LVG are described here. The topical coverage includes heat transfer enhancement in straight channels and in heat exchangers. Among the latter are plate and wavy fin-and-tube heat exchangers, fin-and-oval-tube heat exchangers, and fin-and-tube heat exchangers with multiple rows of tubes. The trends and future directions of heat transfer enhancement by means of LVG are discussed.

physics.flu-dyn↗

arXiv2016

Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation

On the basis of ab initio quantum mechanics (QM) calculation, the obtained electron heat capacity is implemented into energy equation of electron subsystem in two temperature model (TTM). Upon laser irradiation on the copper film, energy transfer from the electron subsystem to the lattice subsystem is modeled by including the electron-phonon coupling factor in molecular dynamics (MD) and TTM coupled simulation. The results show temperature and thermal melting difference between the QM-MD-TTM integrated simulation and pure MD-TTM coupled simulation. The successful construction of the QM-MD-TTM integrated simulation provide a general way that is accessible to other metals in laser heating.

physics.chem-ph↗

arXiv2016

Uncertainty Analysis of Melting and Resolidification of Gold Film Irradiated by Nano- to Femtosecond Lasers Using Stochastic Method

A sample-based stochastic model is presented to investigate the effects of uncertainties of various input parameters, including laser fluence, laser pulse duration, thermal conductivity constants for electron, and electron-lattice coupling factor, on solid-liquid phase change of gold film under nano- to femtosecond laser irradiation. Rapid melting and resolidification of a free standing gold film subject to nano- to femtosecond laser are simulated using a two-temperature model incorporated with the interfacial tracking method. The interfacial velocity and temperature are obtained by solving the energy equation in terms of volumetric enthalpy for control volume. The convergence of variance (COV) is used to characterize the variability of the input parameters, and the interquartile range (IQR) is used to calculate the uncertainty of the output parameters. The IQR analysis shows that the laser fluence and the electron-lattice coupling factor have the strongest influences on the interfacial location, velocity, and temperatures.

physics.comp-ph↗

arXiv2016

Flow and Heat Transfer in Micro Pin Fin Heat Sinks with Nano-Encapsulated Phase Change Materials

In this paper, a 3D conjugated heat transfer model for Nano-Encapsulated Phase Change Materials (NEPCMs) cooled Micro Pin Fin Heat Sink (MPFHS) is presented. The governing equations of flow and heat transfer are solved using a finite volume method based on collocated grid and the results are validated with the available data reported in the literature. The effect of nanoparticles volume fraction (C = 0.1, 0.2, 0.3), inlet velocity (Vin = 0.015, 0.030, 0.045 m/s), and bottom wall temperature (Twall = 299.15, 303.15, 315.15, 350.15 K) are studied on Nusselt and Euler numbers as well as temperature contours in the system. The results indicate that significant heat transfer enhancement is achieved when using NEPCM slurry as an advanced coolant. The maximum Nusselt number when NEPCM slurry (C = 0.3) with Vin = 0.015, 0.030, 0.045 (m/s) is employed, are 2.27, 1.81, 1.56 times higher than the ones with base fluid, respectively. However, with increasing bottom wall temperature, the Nusselt number first increases then decreases. The former is due to higher heat transfer capability of coolant at temperatures over the melting range of PCM particles due to partial melting of nanoparticles in this range. While, the latter phenomena is due to the lower capability of NEPCM particles and consequently coolant in absorbing heat at coolant temperatures higher than the temperature correspond to fully melted NEPCM. It was observed that NEPCM slurry has a drastic effect on Euler number, and with increasing volume fraction and decreasing inlet velocity, the Euler number increases accordingly.

physics.flu-dyn↗

arXiv2016

Advances in Thermal Modeling of Selective Laser Sintering of Metal Powders

Selective laser sintering (SLS) of single component metal powders is a rapid prototyping technology in which a high-energy laser beam scans, melts, shrinks and consolidates metal powders with single component. For better understanding physical mechanisms during laser sintering of single-component metal particles, a temperature transforming model with the consideration of shrinkage and convective flows is introduced to analyze the thermal/fluid behaviors in selective laser sintering of single powder layer. The model is also applied to investigate the sintering of powders on top of existing sintered layers under single- multiple-line scanning manners according to the practical manufacturing processes.

physics.comp-ph↗

arXiv2016

Heat and Mass Transfer during Chemical Vapor Deposition on the Particle Surface Subjected to Nanosecond Laser Heating

A thermal model of chemical vapor deposition of titanium nitride (TiN) on the spherical particle surface under irradiation by a nanosecond laser pulse is presented in this paper. Heat and mass transfer on a single spherical metal powder particle surface subjected to temporal Gaussian heat flux is investigated analytically. The chemical reaction on the particle surface and the mass transfer in the gas phase are also considered. The surface temperature, thermal penetration depth, and deposited film thickness under different laser fluence, pulse width, initial particle temperature, and particle radius are investigated. The effect of total pressure in the reaction chamber on deposition rate is studied as well. The particle-level model presented in this paper is an important step toward development of multiscale model of LCVI.

physics.comp-ph↗

arXiv2016

First-Principles Molecular Dynamics Investigation of the Atomic-Scale Energy Transport: From Heat Conduction to Thermal Radiation

First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing thermostats to keep constant temperatures of the nanoscale thin layers, initial thermal non-equilibrium between the neighboring layers is established under the vacuum condition. Models with variable gap distances with an interval of lattice constant increment of the simulated materials are set up and statistical comparisons of temperature evolution curves are made. Moreover, the equilibration time from non-equilibrium state to thermal equilibrium state of different silicon or/and germanium layers combinations are calculated. The results show significant distinctions of heat transfer under different materials and temperatures combinations. Further discussions on the equilibrium time are made to explain the simulation results. As the first work of the atomic scale energy transport spanning from heat conduction to thermal radiation, the simulation results here highlights the promising application of the first-principles molecular dynamics in thermal engineering.

physics.comp-ph↗

arXiv2016

Structural, Dynamic, and Vibrational Properties during Heat Transfer in Si/Ge Superlattices: A Car-Parrinello Molecular Dynamics Study

The structural, dynamic, and vibrational properties during the heat transfer process in Si/Ge superlattices, are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.

physics.comp-ph↗

arXiv2016

Femtosecond Laser Processing of Germanium: An Ab Initio Molecular Dynamics Study

An ab initio molecular dynamics study of femtosecond laser processing of germanium is presented in this paper. The method based on the finite temperature density functional theory is adopted to probe the structural change, thermal motion of the atoms, dynamic property of the velocity autocorrelation, and the vibrational density of states. Starting from a cubic system at room temperature (300 K) containing 64 germanium atoms with an ordered arrangement of 1.132 nm in each dimension, the femtosecond laser processing is simulated by imposing the Nose Hoover thermostat to the electronic subsystem lasting for ~100 fs and continuing with microcanonical ensemble simulation of ~200 fs. The simulation results show solid, liquid and gas phases of germanium under adjusted intensities of the femtosecond laser irradiation. We find the irradiated germanium distinguishes from the usual germanium crystal by analyzing their melting and dynamic properties.

physics.comp-ph↗

arXiv2016

Double MRT Thermal Lattice Boltzmann Method for Simulating Natural Convection of Low Prandtl Number Fluids

The purposes of this paper are testing an efficiency algorithm based on LBM and using it to analyze two-dimensional natural convection with low Prandtl number. Steady state or oscillatory results are obtained using double multiple-relaxation-time thermal lattice Boltzmann method. The velocity and temperature fields are solved using D2Q9 and D2Q5 models, respectively. With different Rayleigh number, the tested natural convection can either achieve to steady state or oscillatory. With fixed Rayleigh number, lower Prandtl number leads to a weaker convection effect, longer oscillation period and higher oscillation amplitude for the cases reaching oscillatory solutions. At fixed Prandtl number, higher Rayleigh number leads to a more notable convection effect and longer oscillation period. Double multiple-relaxation-time thermal lattice Boltzmann method is applied to simulate the low Prandtl number fluid natural convection. Rayleigh number and Prandtl number effects are also investigated when the natural convection results oscillate.

physics.comp-ph↗

arXiv2016

Numerical Investigation of Evaporation Induced Self-Assembly of Sub-Micron Particles Suspended in Water

Self-assembly of sub-micron particles suspended in a water film is investigated numerically. The liquid medium is allowed to evaporate leaving only the sub-micron particles. A coupled CFD-DEM approach is used for the simulation of fluid-particle interaction. Momentum exchange and heat transfer between particles and fluid and among particles are considered. A history dependent contact model is used to compute the contact force among sub-micron particles. Simulation is done using the open source software package CFDEM which basically comprises of two other open source packages OpenFOAM and LIGGGHTS. OpenFOAM is a widely used solver for CFD related problems. LIGGGHTS, a modification of LAMMPS, is used for DEM simulation of granular materials. The final packing structure of the sub-micron particles is discussed in terms of distribution of coordination number and radial distribution function (RDF). The final packing structure shows that particles form clusters and exhibit a definite pattern as water evaporates away.

physics.comp-ph↗

arXiv2015

Lattice Boltzmann Method Simulation of 3-D Natural Convection with Double MRT Model

Multiple-relaxation-time model (MRT) has more advantages than the many others approaches in the Lattice Boltzmann Method (LBM). Three-dimensional double MRT model is proposed for the first time for fluid flow and heat transfer simulation. Three types of cubic natural convection problems are solved with proposed method at various Rayleigh numbers. Two opposite vertical walls on the left and right are kept at different temperatures for all three types, while the remained four walls are either adiabatic or have linear temperature variations. For the first two types of cubic natural convections that four walls are either adiabatic or vary linearly, the present results agreed very well with the benchmark solutions or experimental results in the literature. For the third type of cubic natural convection, the front and back surfaces has linearly variable temperature while the bottom and top surface are adiabatic. The results from the third type exhibited more general three-dimensional characters.

physics.comp-ph↗