相关论文: Tempering of Au nanoclusters: capturing the temper…

The thermodynamic and structural properties of (NH$_4$Cl)$_n$ clusters, n=3-10 are studied. Using the method of simulated annealing, the geometries of several isomers for each cluster size are examined. Jump-walking Monte Carlo simulations…

The melting of Al clusters in the size range 49 <= N <= 62 has been studied using two model interatomic potentials. The results for the two models are significantly different. The glue potential exhibits a smooth relatively featureless heat…

Molecular dynamics simulation is employed to understand the thermodynamic behavior of cuboctahedron (cub) and icosahedron (ico) nanoparticles with 2-20 number of shells (55-28741 atoms). The embedded atom method was used to describe the…

An approach based on He scattering is used to develop an atomic-level structural model for an epitaxially grown disordered sub-monolayer of Ag on Pt(111) at 38K. Quantum scattering calculations are used to fit structural models to the…

Core-shell Au@pNIPAM nanocomposites are assembled through a simple and inexpensive approach where drops of bulk nanoparticle solution are left to dry on ITO surfaces at fixed and finely tuned temperatures. Interparticle distances are…

We analyse the possible contribution of topological defects to cosmic microwave anisotropies, both temperature and polarisation. We allow for the presence of both inflationary scalars and tensors, and of polarised dust foregrounds that may…

Localized defects, unavoidable in real solids, may be simulated in (generically defect-free) cold-atom systems, e.g., via modifications of the optical lattice. We study the Hubbard model on a square lattice with single impurities, pairs of…

The peculiar linear temperature-dependent swelling of core-shell microgels has been conjectured to be linked to the core-shell architecture combining materials of different transition temperatures. Here the structure of pNIPMAM-core and…

Using the string melting version of a multiphase transport model, we focus on the evolution of thermodynamic properties of the central cell of parton matter produced in Au$+$Au collisions ranging from 200 GeV down to 2.7 GeV. The…

Understanding heat transfer characteristics of phase change and enhancing thermal energy transport in nanoscale are of great interest in both theoretical and practical applications. In the present study, we investigated the nanoscale…

We study the heat transfer between two nanoparticles held at different temperatures that interact through nonreciprocal forces, by combining molecular dynamics simulations with stochastic thermodynamics. Our simulations reveal that it is…

The phase stability of NiAl clusters of nanometer size was studied by using the embedded atom model and Monte Carlo simulation techniques. For temperatures of 500 and 1000 K and for a range of compositions below 70 at.% Al, the equilibrium…

We have studied tunneling into individual Au nanoparticles of estimated diameters 2-5 nm, at dilution refrigerator temperatures. The I-V curves indicate resonant tunneling via discrete energy levels of the particle. Unlike previously…

In this paper, we investigated the annealing experiments of poly(mercaptopropylmethylsiloxane, PMMS) confined within two types of porous templates (anodic aluminium oxide, AAO, and silica) characterized by different pore diameter, d=…

Thermally stimulated process such as evaporation, phase transition, or solid-liquid transition of a solid consumes each a certain portion of the solid cohesive energy that is the sum of bond energy over all the coordinates of all the…

Here we investigate how local properties of particles in a thermal bath influence the thermodynamics of the bath. We utilize nanothermodynamics, based on two postulates: that small systems can be treated self-consistently by coupling to an…

We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…

Nanoparticle (NP) are promising agents to absorb external energy excitation and generate heat. Cluster of NPs or NP array heating have found essential roles for biomedical applications, diagnostic techniques and chemical catalysis. Various…

Nanoalloys (or alloy nanoparticles) are an important class of materials that are promising for their functional properties. However, designing synthesis protocols to control their structure and chemical ordering is rather challenging. Part…

We formulate a finite-temperature scheme of the variational cluster approximation (VCA) particularly suitable for an exact-diagonalization cluster solver. Based on the analytical properties of the single-particle Green's function matrices,…