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We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…

Microrobots have the potential to impact many areas such as microsurgery, micromanipulation and minimally invasive sensing. Due to their small size, microrobots swim in a regime that is governed by low Reynolds number hydrodynamics. In this…

Nanofluidic systems exhibit transport characteristics that have made technological marvels such as desalination, energy harvesting, and highly sensitive biomolecule sensing possible by virtue of their ability to influence small currents due…

Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…

Microgels made of poly(N-isopropylacrylamide) are the prototype of soft, thermoresponsive particles widely used to study fundamental problems in condensed matter physics. However, their internal structure is far from homogeneous, and…

In this work we show that macroscopic experiments can be used to investigate microscopic systems. Such macroscopic experiments enable testing the assumptions and results obtained by theoretical considerations or simulations that can not be…

Imaging techniques give a fundamental support to medical diagnostics during the pathology discovery as well as for the characterization of biological structures. The imaging methods involve electromagnetic waves in a frequency range that…

A brief review of modeling and simulation methods for a study of polymers at interfaces is provided. When studying truly multiscale problems as provided by realistic polymer systems, coarse graining is practically unavoidable. In this…

A numerical model able to simulate solid-state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element model (FEM) for calculating stresses on a…

Crack microgeometries pose a paramount influence on effective elastic characteristics and sonic responses. Geophysical exploration based on seismic methods are widely used to assess and understand the presence of fractures. Numerical…

In this study the dynamic behaviour of perforated microplates oscillating under the effect of squeeze film damping is analyzed. A numerical approach is adopted to predict the effects of damping and stiffness transferred from the surrounding…

Using molecular simulation to aid in the analysis of neutron reflectometry measurements is commonplace. However, reflectometry is a tool to probe large-scale structures, and therefore the use of all-atom simulation may be irrelevant. This…

Most conventional magnetic materials used in the electronic devices are ferrites, which are composed of micrometer-size grains. But ferrites have small saturation magnetization, therefore the performance at GHz frequencies is rather poor.…

Purpose Surgical simulations play an increasingly important role in surgeon education and developing algorithms that enable robots to perform surgical subtasks. To model anatomy, Finite Element Method (FEM) simulations have been held as the…

Numerical simulations based on electronic structure calculations are finding ever growing applications in many areas of physics. A major limiting factor is however the cubic scaling of the algorithms used. Building on previous work [F. R.…

Micro-Electro-Mechanical-Systems are complex structures, often involving nonlinearites of geometric and multiphysics nature, that are used as sensors and actuators in countless applications. Starting from full-order representations, we…

Efficient injection of spin-polarized current into a semiconductor is a basic prerequisite for building semiconductor-based spintronic devices. Here, we use inelastic electron tunneling spectroscopy to show that the efficiency of…

Microelectromechanical systems (MEMS) gyroscopes are widely used, e.g. in modern automotive and consumer applications, and require signal stability and accuracy in rather harsh environmental conditions. In many use cases, device reliability…

Guided by extensive numerical simulations, we propose a microfluidic device that can sort elastic capsules by their deformability. The device consists of a duct embedded with a semi-cylindrical obstacle, and a diffuser which further…

High-fidelity numerical methods that model the physical layout of a device are essential for the design of many technologies. For methods that characterize electromagnetic effects, these numerical methods are referred to as computational…