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A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…

Optically-levitated nanoparticles in vacuum offer a pristine platform for high-quality mechanical oscillators, enabling a wide range of precision measurements and quantum technologies. A key performance metric in such systems is the…

Molecular dynamic simulations are used to study the heating of a gold nanorod of 2624 atoms. We show that roughening of surface {110} facets leads to a shape transformation and structural rearrangement of surface and bulk atoms in the rod,…

统计力学 · 物理学 2007-05-23 Yanting Wang , S. Teitel , Christoph Dellago

While recent efforts have shown how local structure plays an essential role in the dynamic heterogeneity of homogeneous glass-forming materials, systems containing interfaces such as thin films or composite materials remain poorly…

软凝聚态物质 · 物理学 2022-04-27 Entao Yang , James F. Pressly , Bharath Natarajan , Robert Colby , Karen I. Winey , Robert A. Riggleman

Understanding the size- and shape-dependent properties of platinum nanoparticles is critical for enabling the design of nanoparticle-based applications with optimal and potentially tunable functionality. Toward this goal, we evaluated nine…

介观与纳米尺度物理 · 物理学 2021-08-05 Ingrid M. Padilla Espinosa , Tevis D. B. Jacobs , Ashlie Martini

Nanocrystalline bulk materials are desirable for many applications as they combine mechanical strength and specific electronic transport properties. Our bottom up approach starts with tailored nanoparticles. Compaction and thermal treatment…

介观与纳米尺度物理 · 物理学 2015-05-20 D. Schwesig , G. Schierning , R. Theissmann , N. Stein , N. Petermann , H. Wiggers , R. Schmechel

Plasmonic resonances in metallic nanoparticles are exploited to create efficient optical filtering functions. A Finite Element Method is used to model metallic nanoparticles gratings. The accuracy of this method is shown by comparing…

Many natural patterns and shapes, such as meandering coastlines, clouds, or turbulent flows, exhibit a characteristic complexity mathematically described by fractal geometry. In recent years, the engineering of self-similar structures in…

The effect of smooth shape changes of metallic nanoparticles on localized surface plasmon resonances is assessed with a boundary integral equation method. The boundary integral equation method allows compact expressions of nanoparticle…

介观与纳米尺度物理 · 物理学 2013-02-19 Titus Sandu

Milled nanodiamonds containing nitrogen-vacancy (NV) centers provide an excellent platform for sensing applications as they are optically robust, have nanoscale quantum sensitivity, and form colloidal dispersions which enable bottom-up…

介观与纳米尺度物理 · 物理学 2023-11-28 Henry J. Shulevitz , Tzu-Yung Huang , Jun Xu , Steven Neuhaus , Raj N. Patel , Lee C. Bassett , Cherie R. Kagan

Superlubricity, or alternatively termed structural (super)lubrictiy, is a concept where ultra-low friction is expected at the interface between sliding surfaces if these surfaces are incommensurate and thus unable to interlock. In this…

介观与纳米尺度物理 · 物理学 2018-03-14 Dirk Dietzel , Astrid S. de Wijn , Matthias Vorholzer , Andre Schirmeisen

Bubble nucleation in liquid confined in nanochannel is studied using molecular dynamics simulations and compared against nucleation in the liquid over smooth (i.e. without confinement). Nucleation is achieved by heating part of a surface to…

流体动力学 · 物理学 2022-01-24 Manish Gupta , Shalabh C. Maroo

Oxygen vacancies, especially their distribution, are directly coupled to the electromagnetic properties of oxides and related emergent functionalities that have implication in device applications. Here using a homoepitaxial strontium…

Hypothesis: Sample-spanning particle networks are used to induce structure and a yield stress, necessary for 3D printing of porous ceramics and paints. In capillary suspensions, a small quantity of immiscible secondary fluid is incorporated…

软凝聚态物质 · 物理学 2024-04-17 Lingyue Liu , Jens Allard , Erin Koos

We model within the kinetic Monte Carlo method the initiation of neck formation and then later evolution of the resulting bridging regions for configurations involving small particles initially positioned fitted between large particles for…

材料科学 · 物理学 2014-11-14 Vyacheslav Gorshkov , Vasily Kuzmenko , Vladimir Privman

Scanning probe imaging and manipulation of matter is of crucial importance for nanoscale science and technology. However, its resolution and ability to manipulate matter at the atomic scale is limited by rather poor control over the fine…

介观与纳米尺度物理 · 物理学 2015-03-17 Vasilii I. Artyukhov

We have assessed mechanical bending as a powerful controlling tool for the electronic structure and optical properties of phosphorene nanoribbons. We use state-of-the-art density functional approximations in our work. The overall…

材料科学 · 物理学 2021-12-08 Bimal Neupane , Hong Tang , Niraj K. Nepal , Adrienn Ruzsinszky

We present a novel approach for finding and evaluating structural models of small metallic nanoparticles. Rather than fitting a single model with many degrees of freedom, the approach algorithmically builds libraries of nanoparticle…

Galvanic replacement reactions on metal nanoparticles are often used for the preparation of hollow nanostructures with tunable porosity and chemical composition, leading to tailored optical and catalytic properties. However, the precise…

Photo-induced synthesis and control over the size and shape of colloidal silver nanoparticles is investigated in contrast to photo-stimulated aggregation of small nanoparticles into large fractal-type structures. The feasibility of…

光学 · 物理学 2007-05-23 A. K. Popov , J. Brummer , R. S. Tanke , G. Taft , A. Wruck , M. Loth , R. Langlois , R. Schmitz