Related papers: Molecular Dynamics Simulations Study on Ultrathin …
Suppressing phonon propagation in nanowires is an essential goal towards achieving efficient thermoelectric devices. Recent experiments have shown unambiguously that surface roughness is a key factor that can reduce the thermal conductivity…
Spin-related effects in thermoelectricity can be used to design more efficient refrigerators and offer novel promising applications for the harvesting of thermal energy. The key challenge is to design structural and compositional magnetic…
We use the phase-field method to study the martensitic transformation at the nanoscale. For nanosystems such as nanowires and nanograins embedded in a stiff matrix, the geometric constraints and boundary conditions have an impact on…
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our results show that nanowires of different types of elements,…
We present results on ultra low noise YBa$_2$Cu$_3$O$_{7-\delta}$ nano Superconducting QUantum Interference Devices (nanoSQUIDs). To realize such devices, we implemented high quality YBCO nanowires, working as weak links between two…
Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields.…
Vortex dynamics is strongly connected with the mechanisms responsible for the photon detection of superconducting devices. Indeed, the local suppression of superconductivity by photon absorption may trigger vortex nucleation and motion…
The simulations of the solidification of ternary Al-Cu-Ni alloys by means of a general multi-phase-field model for an arbitrary number of phases reveal that the real microstructure can be generated by coupling the real thermodynamic…
The electrical resistivity of conventional metals, such as copper, is known to increase in thin films due to electron-surface scattering, limiting the performance of metals in nanoscale electronics. Here, we find an unusual reduction of…
We investigate the microwave spectra of ultracold alkali metal dimers in magnetic, electric and combined fields, taking account of the hyperfine structure due to the nuclear spins. We consider the molecules 41K87Rb and 7Li133Cs, which are…
Molecular dynamics simulations performed on <110> Cu nanopillars revealed significant difference in deformation behavior of nanopillars with and without twin boundary. The plastic deformation in single crystal Cu nanopillar without twin…
We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…
In a recent computational study, we found highly structured ground states for coarse-grained polymers adsorbed to ultrathin nanowires in a certain model parameter region. Those tubelike configurations show, even at a first glance, exciting…
High-shear methods have long been used in experiments to refine grain structures in metals, yet the underlying mechanisms remain elusive. We demonstrate a refinement process using molecular dynamic simulations of iron, wherein…
We investigated the vibrational dynamics and the structural relaxation of water nanoconfined in porous silica samples with pore size of 4 nm at different levels of hydration and temperature. We used as spectroscopic technique the…
We investigate the histograms of conductance values obtained during controlled electromigration thinning of Cu thin films. We focus on the question whether the most frequently observed conductance values, apparent as peaks in conductance…
This study incorporates electromagnetic simulations to assess the performance of multi-turn solenoid coils for ultra-low field MR imaging with various conductor materials (superconducting material, low-temperature copper, and…
Nanofluids are known to have significantly different thermal properties relative to the corresponding conventional fluids. Heat transfer at the solid-fluid interface affects the thermal properties of nanofluids. The current work helps in…
The thesis discusses micromagnetic simulation studies on high-frequency magnetic dynamics in three-dimensional ferromagnetic nanoarchitectures made of interconnected magnetic nanowire networks. Such artificial magnetic materials with…
Combined gold and silicon nano-system has spurred tremendous interest in the scientific community due to its application in different metal-semiconductor electronic devices and solar driven water splitting cells. Silicon, fabricated on gold…