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We present a multiscale modelling framework that integrates density functional theory (DFT) with a phase-field model (PFM) to explore the intricate dynamics of grain growth in nanocrystalline {\alpha}-Fe single-phase alloy in the presence…

Materials Science · Physics 2024-06-13 Sandip Guin , Albert Linda , Yu-Chieh Lo , Somanth Bhowmick , Rajdip Mukherjee

Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides. In this study, we have developed a phase…

As was shown in an earlier paper [1], solids dispersed in a drying drop migrate to the (pinned) contact line. This migration is caused by outward flows driven by the loss of the solvent due to evaporation and by geometrical constraint that…

Soft Condensed Matter · Physics 2007-05-23 Yuri O. Popov , Thomas A. Witten

Ion irradiation during film growth has a strong impact on structural properties. Linear stability analysis is employed to study surface instabilities during ion-assisted growth of binary alloys. An interplay between curvature-dependent…

Materials Science · Physics 2015-05-30 Gintautas Abrasonis , Klaus Morawetz

By equilibrating condensed DNA arrays against reservoirs of known osmotic stress and examining them with several structural probes, it has been possible to achieve a detailed thermodynamic and structural characterization of the change…

chem-ph · Physics 2009-10-28 R. Podgornik , H. H. Strey , K. Gawrisch , D. C. Rau , A. Rupprecht , V. A. Parsegian

We review the impact of tetrahedral order on the macroscopic dynamics of bent-core liquid crystals. We discuss tetrahedral order comparing with other types of orientational order, like nematic, polar nematic, polar smectic, and active polar…

Soft Condensed Matter · Physics 2016-10-21 H. Pleiner , H. R. Brand

Extending previous work [T. Pusztai, L. R\'atkai, A. Sz\'all\'as, and L. Gr\'an\'asy, Phys. Rev. E {\bf 87}, 032402 (2013)], we have studied the formation of eutectic dendrites in a model ternary system within the framework of the…

Materials Science · Physics 2016-02-22 László Rátkai , Attila Szállás , Tamás Pusztai , Tetsuo Mohri , László Gránásy

Optical polarimetry measurements of the orientational order of a discotic liquid crystal based on a pyrene derivative and confined in parallel-aligned nanochannels of monolithic mesoporous alumina, silica, and silicon as a function of…

Homeotropic Nematic Liquid Crystal heated from above present convective Rayleigh-Benard instability for applied thermal gradients greater than $\Delta$Tc. This threshold increase with the intensity of applied external magnetic field…

Fluid Dynamics · Physics 2013-11-19 I. Bove , J. Salán

Heteroepitaxy offers a new type of control mechanism for the crystal structure, the electronic correlations, and thus the functional properties of transition-metal oxides. Here, we combine electrical transport measurements, high-resolution…

High-energy synchrotron x-rays are used to track grain rotations and the micromechanical evolution of a hexagonal Ti-7Al microstructure as it is cyclically loaded below its macroscopic yield stress. The evolution of the grains through 200…

Materials Science · Physics 2020-10-02 Rachel E. Lim , Joel V. Bernier , Darren C. Pagan , Paul A. Shade , Anthony D. Rollett

Soft metals like lithium and sodium play a critical role in battery technology owing to their high energy density. Texture formation by grain selection growth of soft metals during electrochemical processes is a crucial factor affecting…

Kinetic Monte Carlo approach is developed to study aspects of sintering of dispersed nanoparticles of bimodal size distributions. We explore mechanisms of neck development when sintering is initiated at elevated temperatures for nanosize…

Materials Science · Physics 2013-11-06 Vyacheslav Gorshkov , Vasily Kuzmenko , Vladimir Privman

We present adaptive finite element simulations of dendritic and eutectic solidification in binary and ternary alloys. The computations are based on a recently formulated phase-field model that is especially appropriate for modelling…

Materials Science · Physics 2009-11-10 Denis Danilov , Britta Nestler

Based on classical concept, solidification of alloys is a direct transition from liquid phase to solid phase, by which dendrites and dendritic segregation are produced. Through in-situ and real time morphology observation and XRD test…

Materials Science · Physics 2026-05-12 Xiaoping Ma , Dianzhong Li , Zhuo Zhao , Saichao Cao , Donghao Pei , Pei Wang , Yuxi Tao , Paixian Fu , Hongwei Liu , Xiuhong Kang

We study the stability of the ordered phase of flocking models with a scalar order parameter. Using both the active Ising model and a hydrodynamic description, we show that droplets of particles moving in the direction opposite to that of…

Predicting microstructure evolution during thermomechanical treatment is essential for determining the final mechanical properties of a material, yet conventional simulations based on Partial Differential Equations (PDEs) remain…

Materials Science · Physics 2026-03-26 Pungponhavoan Tep , Marc Bernacki

Differentially rotating plasma disks, around compact objects, that are imbedded in a ``seed'' magnetic field are shown to develop vertically localized ballooning modes that are driven by the combined radial gradient of the rotation…

Astrophysics · Physics 2009-06-23 Bruno Coppi

Even though our theoretical understanding of dendritic solidification is relatively well developed, our current ability to model this process quantitatively remains extremely limited. This is due to the fact that the morphological…

Materials Science · Physics 2007-05-23 Jean Bragard , Alain Karma , Youngyih H. Lee , Mathis Plapp

Roughness and orientational order in thin films of anisotropic particles are investigated using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor interactions between the lattice particles were chosen to mimic…

Soft Condensed Matter · Physics 2022-09-08 Eelco Empting , Nicolas Bader , Martin Oettel