Using the replica-exchange molecular dynamics method (REMD), we have investigated the size dependence of the melting behavior of iron nanoparticles. Comparing to conventional molecular dynamics (MD), the REMD method is found to be very efficient in determining the melting point by avoiding superheating and undercooling phenomena. With accurate determination of the melting point, we find that th...

Molecular dynamics simulations were used to study the change in the mechanism of iron cluster melting with increasing cluster size. Melting of smaller clusters (e.g., Fe55 and Fe100) occurs over a large temperature interval where the phase of the cluster repeatedly oscillates between liquid and solid. In contrast, larger clusters (e.g., Fe300) have sharper melting points with surface melting pr...

This work described study protocols on the production of Palm-Based Standard Reference Materials for iodine value and slip melting point. Thirty-three laboratories collaborated in the inter-laboratory proficiency tests for characterization of iodine value, while thirty-two laboratories for characterization of slip melting point. The iodine value and slip melting point of palm oil, palm olein an...

sahand volcanic-sub-volcanic dome, along with several other magmatic domes in northwest iran and the southern part of tabriz fault show adakitic geochemical characteristics. sahand dome has mainly dacitic composition. the sio2 content and mg number of sahand dome range from 64 to 73 wt% and 27 to 57 respectively. sahand dome can be classified as high silica adakitic (hsa) type. the rocks studie...

purpose: to describe a case with a rare complication of posterior chamber intraocular lens (pc-iol) implantation in a patient who had undergone extracapsular cataract extraction (ecce) two years before case report: a 80-year-old diabetic woman presented with an exposed pc-iol in her left eye with a history of mechanical trauma. slit-lamp examination revealed an extruded pc-iol lied on the anter...

This paper provides ready-to-use equations to describe variations in uranium-series (U-series) disequilibrium as a function of elemental distribution coefficients, melting porosity, melting rate, and melting time. The effects of these melting parameters on U-series disequilibria are quantitatively evaluated in both an absolute and relative sense. The importance of net elemental fractionation an...

Paraffin wax has been exploited in microactuators because it exhibits a volumetric expansion of ∼15%, at around its melting point. In order to nderstand paraffin wax actuation, for the first time, the melting process has been investigated using a combination of analytical modelling (using tefan’s problem and Neumann’s solution), finite element method (FEM) simulations and actuation data from me...

The title compound, C(13)H(16)N(3)O(+)·PF(6) (-), which has an imide group in the imidazolium cation, is a new ionic liquid above its melting point. Two neighbouring mol-ecules are connected by a weak non-classical C-H⋯O hydrogen bond with the formation of centrosymmetric 14-membered dimers.

The solid-to-liquid phase transition in water nanofilms confined between plates, with varying separations and water-plate interactions ranging from strongly hydrophobic to strongly hydrophilic, was simulated using a coarse-grained monatomic water model (mW) and the generalized replica exchange method (gREM). Extensive gREM simulations combined with the statistical temperature weighted histogram...

Various melting-related phenomena (like surface melting, size dependence of melting temperature, melting of few nm-size particles and overheating at a very fast heating rate) are of great fundamental and applied interest, although the corresponding theory is still lacking. Here we develop an advanced phase-field theory of melting coupled to mechanics, which resolves numerous existing contradict...