17 papers · ranked by Valyu relevance
Qi Zhang, Wei Li, Kaiyao Qiao, Yilong Han
The nature of liquid-to-glass transition is a major puzzle in science. A similar challenge exists in glass-to-liquid transition, i.e., glass melting, especially for the poorly investigated surface effects. Here, we assemble colloidal glasses by vapor deposition and melt them by tuning particle attractions. The…
David T. Limmer, David Chandler
Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar…
Liang Wang, Xingming Zhang, Lei Deng, Jianfeng Tang + 3 more
'Huiqiu Deng' 'Wangyu Hu'] We systematic investigate the collapse of a set of open-cell nanoporous Cu (np-Cu) with the same porosity and shapes, but different specific surface area, during thermal annealing, via performing large-scale molecular dynamics simulations. Surface premelting is dominated in their collapses…
Yang Yang, Mark Asta, Brian B. Laird
We report the observation of a premelting transition at chemically sharp solid-liquid interfaces using molecular-dynamics simulations. The transition is observed in the solid-Al/liquid-Pb system and involves the formation of a liquid interfacial film of Al with a width that grows logarithmically as the bulk melting…
A. Danzig, Ori Scaly, E. Polturak
Melting of 3D solids is often preceded by a melting of their surface, a distinct process which begins at a temperature lower than TM. Until now, surface melting was investigated mostly by diffraction or other non-contact techniques, revealing how the surface becomes progressively disordered with temperature. We…
Zun Liang, Han Du, Hongtao Liang, Yang Yang
We employ molecular-dynamics (MD) simulations to study grain boundary (GB) premelting in ices confined in two-dimensional hydrophobic nano-channels. Premelting transitions are observed in symmetric tilt GBs in monolayer ices and involve the formation of a premelting band of liquid phase water with a width that grows…
M. Torabi Rad, G. Boussinot, M. Apel
The mechanical strength of a polycrystalline material can be drastically weakened by a phenomenon known as grain boundary (GB) premelting that takes place, owing to the so-called disjoining potential, when the dry GB free energy $\sigma _{gb}$ exceeds twice the free energy of the solid-liquid interface $\sigma _{sl}$.…
Mohammad Gavahian Jahromi, Reza Shoja Razavi, Zia Valefi, hamed Naderi + 1 more
'hamed Naderi' 'Saeid Taghi-Ramezani'] This research study was conducted to investigate the laser melting parameters of NiCrAlY-APS coating. High-temperature oxidation was investigated using yttria partially stabilized zirconia (YSZ) ceramic coating. Also, the oxidation behavior of the TBC coating was investigated and…
Manuela Galati, Paolo Minetola, Giovanni Rizza
Electron Beam Melting (EBM) is a metal powder bed fusion (PBF) process in which the heat source is an electron beam. Differently from other metal PBF processes, today, EBM is used for mass production. As-built EBM parts are clearly recognisable by their surface roughness, which is, in some cases, one of the major…
Kai Li, Zhenyu Zhao, Houming Zhou, Hao Zhou + 4 more
'Guiyao Zhou' 'Nikolaos Tapoglou'] As a surface finishing technique for rapid remelting and re-solidification, laser polishing can effectively eliminate the asperities so as to approach the feature size. Nevertheless, the polished surface quality is significantly sensitive to the processing parameters, especially with…
Beytullah Aydogan, Kevin Chou, Danyang Lin, Hong Bian + 1 more
The simulation of additive manufacturing has become a prominent research area in the past decade. Process physics simulations are employed to replicate laser powder bed fusion (L-PBF) manufacturing processes, aiming to predict potential issues through simulated data. This study focuses on calculating surface roughness…
Monique S. Straub, Oliver F. Harder, Nathan J. Mowry, Sarah V. Barrass + 3 more
Sample preparation remains a bottleneck for protein structure determination by cryo-electron microscopy. A frequently encountered issue is that proteins adsorb to the air-water interface of the sample in a limited number of orientations. This makes it challenging to obtain high-resolution reconstructions or may even…
Christopher T. Lee, Justin G. Laughlin, Nils Angliviel de La Beaumelle, Rommie E. Amaro + 4 more
Recent advances in electron microscopy have, for the first time, enabled imaging of single cells in 3D at a nanometer length scale resolution. An uncharted frontier for in silico biology is the ability to simulate cellular processes using these observed geometries. Enabling such simulations will require a system for…
Authors not listed
In this contribution, we will review the concepts and principles used to characterize and discuss the structure, stability, adsorption properties and catalytic reactivity of bimetallic surfaces in an atomic scale picture. Starting from early stages, we will emphasize recent experimental and theoretical findings that…
Jiankang Wang, Qiyuan Cao, Ye Chen, Wataru Natsu + 2 more
'Reza Teimouri'] The Electrochemical Machining (ECM) method is one of the most widely used processing methods in metal surface processing, due to its unique advantages. However, the electrolyte in ECM causes stray corrosion on the workpiece. To overcome these shortcomings, we have developed a no-stray-corrosion ECM…
Suzanne E. Enos, Brian D. Cook, Hamidreza Rahmani, Sarah M. Narehood + 8 more
Single-particle cryogenic electron microscopy (cryoEM) is a widely used technique for structure determination of biomacromolecules to near-atomic resolution. Random distributions of these molecules in vitrified ice are necessary to accumulate enough two-dimensional views to generate a complete three-dimensional (3-D)…
Toshiyuki Oda
SurfStamp is an application that is used to generate textures for surface models of proteins. The textures contain information about surface residues and the information is drawn directly on the 3D object of the models. This approach is more intuitive than the labeling functions that most three-dimensional (3D)…