Related papers: Molecular Dynamics Study of a Thermal Expansion Co…
The aim of this work is to study how the thermodynamic temperature is related to the known thermometers for nuclei especially in view of studying the microcanonical phase transition. We find within the MMMC-model that the "S-shape" of the…
Thermoelectric coolers (TECs) offer a promising solution for direct cooling of local hotspots and active thermal management in advanced electronic systems. However, TECs present significant trade-offs among spatial cooling, heating and…
Silicon Carbide (SiC) is a wide bandgap semiconductor material recently being used in replacement of traditional semiconductors for high-voltage power device applications. Radiation environments induce defects through displacement damage in…
We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method (MEAM) interatomic potentials are used to describe the interaction between tungsten atoms. The melting temperature of…
A collisional model of a confined quasi-two-dimensional granular mixture is considered to analyze homogeneous steady states. The model includes an effective mechanism to transfer the kinetic energy injected by vibration in the vertical…
The mechanical properties of thermally excited two-dimensional crystalline membranes can depend dramatically on their geometry and topology. A particularly relevant example is the effect on the crumpling transition of holes in the membrane.…
Accurate knowledge of temperatures in power semiconductor modules is crucial for proper thermal management of such devices. Precise prediction of temperatures allows to operate the system at the physical limit of the device avoiding…
The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a…
Small thermodynamic systems exhibit peculiar behavior different from that observed in long-scale systems. Non-equilibrium processes taking place in those systems are strongly influenced by the presence of fluctuations which can be large.…
We use molecular dynamics computer simulations to investigate a critical temperature T_c for a dynamical glass transition as proposed by the mode-coupling theory (MCT) of dense liquids in a glass forming Ni_{0.8}Zr_{0.2}-system. The…
In many physical systems, degrees of freedom are coupled \emph{via} hydrodynamic forces, even in the absence of Hamiltonian interactions. A particularly important and widespread example concerns the transport of microscopic particles in…
Thin liquid films are nanoscopic elements of foams, emulsions and suspensions, and form a paradigm for nanochannel transport that eventually test the limits of hydrodynamic descriptions. Here we use classical dynamical systems…
Theoretically predicted linear correlation between the volume coefficient of thermal expansion and the thermal heat capacity was investigated for highly symmetrical atomic arrangements. Normalizing the data of these thermodynamic parameters…
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine…
In this work we study a quasi-static evolution of thermo-visco-elastic model with homogeneous thermal expansion. We assume that material is subject to two kinds of mechanical deformations: elastic and inelastic. Inelastic deformation is…
Molecular dynamics simulations are performed to study the temperature-dependent dynamics and structures of the hydration shells of elastin-like and collagen-like peptides. For both model peptides, it is consistently observed that, upon…
This paper presents an extended coarse-grained investigation of the elastic properties of polystyrene. In particular, we employ the well-known MARTINI force field and its modifications to perform extended molecular dynamics simulations at…
We discuss a method to calculate with quantum molecular dynamics simulations the rate of energy exchanges between electrons and ions in two-temperature plasmas, liquid metals and hot solids. Promising results from this method were recently…
We focus on a highly nonlinear evolutionary abstract PDE system describing volume processes coupled with surfaces processes in thermoviscoelasticity, featuring the quasi-static momentum balance, the equation for the unidirectional evolution…
Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…