相关论文: Atomistic simulation of barocaloric effects

A novel laser cooling mechanism based on many body effects is presented. The method can be applicable for cooling a large class of atoms and molecules in higher density than commonly excepted by existing methods. The cooling mechanism…

Current vapor-compression technology is based on the gas-liquid transition of hazardous gas. The alternative cooling technology focuses on the solid caloric material. A new liquid barocaloric material, i.e. the liquid crystal, is proved to…

We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…

Controlled quantum mechanical devices provide a means of simulating more complex quantum systems exponentially faster than classical computers. Such "quantum simulators" rely heavily upon being able to prepare the ground state of…

Accurate simulations of thermalization in open quantum systems require a reliable representation of the bath correlation function (BCF). Numerical approaches, such as the hierarchical equations of motion and the pseudomode method,…

We discuss the optical stochastic cooling (OSC) method in applications to the beams of charged particles, circulating in accelerators and storage rings. In this publication we concentrated on various OSC schemes in a diluted beam…

Atomistic simulations using accurate energy functions can provide molecular-level insight into functional motions of molecules in the gas- and in the condensed phase. Together with recently developed and currently pursued efforts in…

A semiclassical approach that incorporates quantum mechanical behavior of heat capacity in direct caloric effect simulations is proposed. Application of this methodology to study electrocaloric effect in prototypical ferroelectrics ${ \rm…

The quantum dynamics of colliding Bose-Einstein condensates with 150 000 atoms are simulated directly from the Hamiltonian using the stochastic positive-P method. Two-body correlations between the scattered atoms and their velocity…

We use molecular dynamics simulations for a first principles-based effective Hamiltonian to calculate two important quantities characterizing the electrocaloric effect in BaTiO$_3$, the adiabatic temperature change $\Delta T$ and the…

The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed for a wide range of temperatures (30--900 K) and external…

The barocaloric effect is still an incipient scientific topic, but it has been attracting an increasing attention in the last years due to the promising perspectives for its application in alternative cooling devices. Here, we present giant…

Atomistic spin dynamics (ASD) is a standard tool to model the magnetization dynamics of a variety of materials. The fundamental dynamical model underlying ASD is entirely classical. In this paper, we present two approaches to effectively…

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

Heat-bath algorithmic cooling (HBAC) provides algorithmic ways to improve the purity of quantum states. These techniques are complex iterative processes that change from each iteration to the next and this poses a significant challenge to…

An improved thermodynamic cycle is proposed, where the cooling effect of an electrocaloric refrigerant is enhanced by applying a reversed electric field. In contrast to conventional adiabatic heating or cooling by on-off cycles of the…

In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…

Optically trapped nanoparticles have recently emerged as exciting candidates for tests of quantum mechanics at the macroscale and as versatile platforms for ultrasensitive metrology. Recent experiments have demonstrated parametric feedback…

We demonstrate a technique for performing stochastic simulations of conditional master equations. The method is scalable for many quantum-field problems and therefore allows first-principles simulations of multimode bosonic fields…

Coherent optical bichromatic forces have been shown to be effective tools for rapidly slowing and cooling simple atomic systems. While previous estimates suggest that these forces may also be effective for rapidly decelerating molecules or…