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Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…

Soft Condensed Matter · Physics 2016-08-08 I. Nezbeda , J. Jirsák , F. Moučka , W. R. Smith

Precipitation patterns emerging in a 2D moving front are investigated on the example of NaOH diffusing into a gel containing AlCl_3. The time evolution of the precipitate Al(OH)_3 can be observed since the precipitate redissolves in the…

Statistical Mechanics · Physics 2015-05-14 A. Volford , I. Lagzi , F. Molnar , Z. Racz

Two-dimensional dendritic growth due to solute precipitation was simulated using a phase-field model reported earlier [Z. Xu and P. Meakin, J. Chem. Phys. 129, 014705 (2008)]. It was shown that diffusion-limited precipitation due to the…

Chemical Physics · Physics 2018-08-03 Zhijie Xu , Paul Meakin

Segregation to grain boundaries affects their cohesion, corrosion and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and phase separation at grain boundaries, we derive a…

Oxidization of a dilute Si(Ge) alloy is modeled using an original protocol based on molecular dynamics simulation and rules for the oxygen insertions. These rules, deduced from ab-initio calculations, favor the formation of SiO_2 against…

Materials Science · Physics 2012-08-01 Patrick Ganster , Andrès Saúl , Guy Tréglia

While nanoalloys are of paramount scientific and practical interests, the main processes leading to their formation are still poorly understood. Key structural features in the alloy systems, including crystal phase, chemical ordering, and…

Fractionation is necessary for self-assembly in multicomponent mixtures. Here, reversible fractionation and crystallization are realized and studied in a two-dimensional binary colloids which is supersaturated by enhancing the attraction…

Soft Condensed Matter · Physics 2020-08-20 Lian Dan Yao , Hong Yu Chen , Yan Shi , Ying Liang , Tian Hui Zhang

The two-dimensional dislocation dynamics approach has been recently used for analyzing plastic deformation in metals and alloys at elevated temperatures. The two-dimensional approach, however, only accounts for the dislocation climbing…

Materials Science · Physics 2018-01-29 Amirreza Keyhani

The search for effective methods to fabricate bulk single-phase quasicrystalline Al-Cu-Fe alloys is currently an important task. Crucial to solving this problem is to understand mechanisms of phase formation in this system. Here we study…

Chemical Physics · Physics 2020-01-08 L. V. Kamaeva , I. V. Sterkhova , V. I. Ladyanov , R. E. Ryltsev , N. M. Chtchelkatchev

Pinning of dislocations at nanosized obstacles like precipitates, voids and bubbles, is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often explored…

Materials Science · Physics 2014-10-22 A. Dutta , M. Bhattacharya , P. Barat

We discuss the interplay between a slow continuous drift of temperature, which induces continuous phase separation, and the non-linear diffusion term in the $\phi^4$-model for phase separation of a binary mixture. This leads to a bound for…

Statistical Mechanics · Physics 2012-05-31 Juergen Vollmer

Nanoscale particles embedded in a metallic matrix are of considerable interest as a route towards identifying and tailoring material properties. We present a detailed investigation of the electronic structure, and in particular the Fermi…

Materials Science · Physics 2011-04-12 J. Laverock , S. B. Dugdale , M. A. Alam , M. V. Roussenova , J. Wensley , J. Kwiatkowska , N. Shiotani

\theta' (Al2Cu) precipitates in Al-Cu-Ag alloys were examined using high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). The precipitates nucleated on dislocation loops on which assemblies of {\gamma}'…

Materials Science · Physics 2012-09-28 Julian M Rosalie , Laure Bourgeois

We study order transitions and defect formation in a model high-entropy alloy (CuNiCoFe) under ion irradiation by means of molecular dynamics simulations. Using a hybrid Monte-Carlo/molecular dynamics scheme a model alloy is generated which…

The most extreme deformations that can be explored in heavy-ion collisions at Fermi-energies are collimated flows of nuclear matter which recall jet dynamics. From microphysics to the cosmological scale, jets are rather common topologies.…

Nuclear Theory · Physics 2019-05-06 P. Napolitani , M. Colonna

Motivated by recent experiments on the supersolid behavior of $^4$He, we study the effect of an edge dislocation in promoting superfluidity in a Bose crystal. Using Landau theory, we couple the elastic strain field of the dislocation to the…

Other Condensed Matter · Physics 2015-05-27 D. Goswami , K. Dasbiswas , C. -D. Yoo , Alan T. Dorsey

The early stage of the chromium precipitation in copper was analyzed at the atomic scale by Atom Probe Tomography (APT). Quantitative data about the precipitate size, 3D shape, density, composition and volume fraction were obtained in a…

Materials Science · Physics 2012-07-17 Abdelahad Chbihi , Xavier Sauvage , Didier Blavette

An algorithm is presented to fit precipitates in atom probe tomographic data sets as equivalent ellipsoids. Unlike previous techniques, which measure only the radius of gyration, these ellipsoids retain the moments of inertia and principle…

Materials Science · Physics 2007-06-06 Richard A. Karnesky , Chantal K. Sudbrack , David N. Seidman

Precipitation hardening, which relies on a high density of intermetallic precipitates, is a commonly utilized technique for strengthening structural alloys. Structural alloys are commonly strengthened through a high density of small size…

Materials Science · Physics 2018-05-29 Sourabh B Kadambi , Srikanth Patala

While lean Mg-Zn-Ca alloys are promising materials for temporary implants, questions remain on the impact of Zn and Ca. In this context, the precipitation in Mg-1.5Zn-0.25Ca (ZX20, in wt.%) was investigated upon linear heating from about…