相关论文: Commensuration Effects in Layered Nanoparticle Sol…
A numerical model is constructed for modelling macroscale damping effects induced by the first order martensite phase transformations in a shape memory alloy rod. The model is constructed on the basis of the modified Landau-Ginzburg theory…
In recent years, much study has been made by applying the {\it non-extensive statistics} (NES) to various non-extensive systems where the entropy and/or energy are not necessarily proportional to the number of their constituent subsystems.…
Self-heating in next-generation, high-power-density field-effect transistor limits performance and complicates fabrication. Here, we introduce NEP-FET, a machine-learned framework for device-scale heat transport simulations of field-effect…
In the framework of four-band envelope-function formalism, developed earlier for spherical semiconductor nanocrystals, we study the electronic structure and optical properties of quantum-confined lead-salt (PbSe and PbS) nanowires (NWs)…
The one-dimensional confinement of quasiparticles in individual carbon nanotubes (CNTs) leads to extremely anisotropic electronic and optical properties. In a macroscopic ensemble of randomly oriented CNTs, this anisotropy disappears…
The transport of nanoparticles (NPs) in polymer networks, as a typical simplified model describing various structures in living systems, is profoundly important in biomedical engineering and nanotechnology. Predicting the effective…
We numerically investigate the interplay of disorder and electron-electron interactions in the integer quantum Hall effect. In particular, we focus on the behaviour of the electronic compressibility as a function of magnetic field and…
1/f noise is a critical figure of merit for the performance of transistors and circuits. For two-dimensional devices (2D-FETs), and especially for applications in the GHz range where short-channel FETs are required, velocity saturation (VS)…
By developing a two-dimensional (2D) full quantum simulation, the attributes of carbon nanotube field-effect transistors (CNTFETs) in different temperatures have been comprehensively investigated. Simulations have been performed by…
We investigate the application of Hybrid Effective Field Theory (HEFT) -- which combines a Lagrangian bias expansion with subsequent particle dynamics from $N$-body simulations -- to the modeling of $k$-Nearest Neighbor Cumulative…
Charge order pervades the phase diagrams of quantum materials where it competes with superconducting and magnetic phases, hosts electronic phase transitions and topological defects, and couples to the lattice generating intricate structural…
In this work, we simulate the expected device performance and the scaling perspectives of Carbon nanotube Field Effect Transistors (CNT-FETs), with doped source and drain extensions. The simulations are based on the self-consistent solution…
The main aim of the present work is to analyse the effect of dipolar interaction strength $\lambda$, particle size $D$ and temperature $T$ on the hysteresis mechanism in ordered arrays of magnetic nanoparticles (MNPs) using computer…
The hard sphere repulsion among ions can be considered in the Poisson-Nernst-Planck (PNP) equations by combining the fundamental measure theory (FMT). To reduce the nonlocal computational complexity in 3D simulation of biological systems, a…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
The beam-normal single-spin asymmetry, $B_n$, exists in the scattering of high energy electrons, polarized transverse to their direction of motion, from nuclear targets. To first order, this asymmetry is caused by the interference of the…
We present fully GRMHD simulations of the merger of binary neutron star (BNS) systems. We consider BNSs producing a hypermassive neutron star (HMNS) that collapses to a spinning black hole (BH) surrounded by a magnetized accretion disk in a…
We report $^{93}$Nb and $^{121}$Sb NMR and $^{57}$Fe M\"{o}ssbauer studies combined with DFT calculations of Nb$_{1-x}$Ti$_x$FeSb ($0\leqslant x \leqslant0.3$), one of the most promising thermoelectric systems for applications above 1000 K.…
The phase diagram of a half-filled hard core boson two-leg ladder in a flux is investigated by means of numerical simulations based on the Density Matrix Renormalization Group (DMRG) algorithm and bosonization. We calculate experimentally…
We construct a quantum Ginsburg-Landau theory to study the quantum phases and transitions in electron hole bilayer system. We propose that in the dilute limit as distance is increased, there is a first order transition from the excitonic…