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Membrane budding and wrapping of particles, such as viruses and nano-particles, play a key role in intracellular transport and have been studied for a variety of biological and soft matter systems. We study nano-particle wrapping by…

Soft Condensed Matter · Physics 2013-07-25 Sabyasachi Dasgupta , Thorsten Auth , Gerhard Gompper

Nanoparticles of very small size (below 10 nm) of TiO2 material are nowadays the functional building blocks of many developing technological applications. Nano is clearly different from bulk or extended systems as regards surface area,…

Materials Science · Physics 2016-09-07 Gianluca Fazio , Lara Ferrighi , Cristiana Di Valentin

The recent geopolitical crisis resulted in a gas price surge. Although lithium-ion batteries represent the best available rechargeable battery technology, a significant energy and power density gap exists between LIBs and petrol/gasoline.…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Dibakar Datta

Silicon presents itself as a high-capacity anode material for lithium-ion batteries with a promising future. The high ability for lithiation comes along with massive volume changes and a problematic voltage hysteresis, causing reduced…

Materials Science · Physics 2024-08-05 Lukas Köbbing , Yannick Kuhn , Birger Horstmann

Using a modified Cahn-Hilliard-Cook theory for spinodal decomposition in a binary mixture that exhibits both diffusion and interconversion dynamics, we derive the time-dependent structure factor for concentration fluctuations. We compare…

The evolution of the microstructure due to spinodal decomposition in phase separated mixtures has a strong impact on the final material properties. In the late stage of coarsening, the system is characterized by the growth of a single…

Soft Condensed Matter · Physics 2021-12-09 Björn König , Olivier J. J. Ronsin , Jens Harting

Lithium-ion batteries rely on particulate porous electrodes to realize high performance, especially the fast-charging capability. To minimize the particle-wise reaction heterogeneities that may lead to local hot spots, deeper understandings…

Materials Science · Physics 2022-04-15 Shubham Agrawal , Peng Bai

We construct a simple two-phase equation of state intended to resemble that of compressed baryon-rich matter and then introduce a gradient term in the compressional energy density to take account of fintie-range effects in non-uniform…

Nuclear Theory · Physics 2009-06-30 Jorgen Randrup

The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…

Soft Condensed Matter · Physics 2014-11-17 Jakub Pękalski , Alina Ciach , Noé G. Almarza

We investigate a nanoscale dielectric capacitor model consisting of two-dimensional, hexagonal h-BN layers placed between two commensurate and metallic graphene layers using self-consistent field density functional theory. The separation of…

Mesoscale and Nanoscale Physics · Physics 2013-07-30 V. Ongun Özçelik , S. Ciraci

We present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes…

Chemical Physics · Physics 2016-09-29 Shiva Rudraraju , Anton Van der Ven , Krishna Garikipati

By modifying and extending recent ideas [C. Seoanez et al., Europhys. Lett. 78, 60002 (2007)], a theoretical framework to describe dissipation processes in the surfaces of vibrating micro- and nanoelectromechanical devices, thought to be…

Mesoscale and Nanoscale Physics · Physics 2008-03-08 C. Seoanez , F. Guinea , A. H. Castro Neto

This review presents the recent progress in computational materials design, experimental realization, and control methods of spinodal nanodecomposition under three- and two-dimensional crystal-growth conditions in spintronic materials, such…

Materials Science · Physics 2015-12-23 T. Dietl , K. Sato , T. Fukushima , A. Bonanni , M. Jamet , A. Barski , S. Kuroda , M. Tanaka , Pham Nam Hai , H. Katayama-Yoshida

Collisions between amorphous Fe nanoparticles were studied using molecular-dynamics simulation. For head-on collisions of nanoparticles with radii $R =$ 1.4 nm, $R =$ 5.2 nm, and $R =$ 11 nm, sticking was observed at all simulated…

Computational Physics · Physics 2019-02-05 William C. Tucker , Adrienne R. Dove , Patrick K. Schelling

Coherent grazing-incidence small-angle X-ray scattering is used to investigate the average kinetics and the fluctuation dynamics during self-organized nanopatterning of silicon by Ar$^+$ bombardment at 65$^{\circ}$ polar angle. At early…

Silicon anodes offer high energy densities for next-generation lithium-ion batteries; however, their application is limited by severe volume expansion during cycling. Making silicon porous or nanostructured mitigates this expansion but…

The structural, electronic and optical properties of Si nanocrystals of different size and shape, passivated with hydrogens, OH groups, or embedded in a SiO2 matrix are studied. The comparison between the embedded and free, suspended…

Materials Science · Physics 2010-09-01 Roberto Guerra , Elena Degoli , Stefano Ossicini

Optical bistability is fundamental for all-optical switches, but typically requires high-Q cavities with micrometer sizes. Through boosting nonlinearity with photo-thermo-optical effects, we achieve bistability in a silicon Mie resonator…

As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…

Numerical Analysis · Mathematics 2024-08-07 Raphael Schoof , Johannes Niermann , Alexander Dyck , Thomas Böhlke , Willy Dörfler

Materials with nanoscale phase separation are considered. These materials are formed by a mixture of several phases, so that inside one phase there exist nanosize inclusions of other phases, with random shapes and random spatial locations.…

Mesoscale and Nanoscale Physics · Physics 2014-03-31 V. I. Yukalov , E. P. Yukalova