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Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-11 Zhenzhong Wang , Haowei Hua , Wanyu Lin , Ming Yang , Kay Chen Tan

The recent surge in Multimodal Large Language Models (MLLMs) has showcased their remarkable potential for achieving generalized intelligence by integrating visual understanding into Large Language Models.Nevertheless, the sheer model size…

Computation and Language · Computer Science 2024-07-30 Shilin Xu , Xiangtai Li , Haobo Yuan , Lu Qi , Yunhai Tong , Ming-Hsuan Yang

Measuring the three-dimensional (3D) distribution of chemistry in nanoscale matter is a longstanding challenge for metrological science. The inelastic scattering events required for 3D chemical imaging are too rare, requiring high beam…

The calculation of chemical shifts in solids has enabled methods to determine crystal structures in powders. The dependence of chemical shifts on local atomic environments sets them among the most powerful tools for structure elucidation of…

Block copolymers often create droplets when placed on a substrate. Such nanostructured droplets can be arranged into regular microstructured arrays, thereby forming hierarchically organized materials that can be used in microelectronics,…

Soft Condensed Matter · Physics 2026-05-04 Artem Petrov , Guillermo A. Hernández-Mendoza , Alfredo Alexander-Katz

Using a strategy that may be applied in theory or in experiments, we identify the regime in which a model binary soft matter mixture forms quasicrystals. The system is described using classical density functional theory combined with…

Soft Condensed Matter · Physics 2021-01-22 A. Scacchi , W. R. C. Somerville , D. M. A. Buzza , A. J. Archer

This article presents a numerical simulation of solvent diffusion in transition metal dichalcogenide based nanomaterials during solvothermal reaction, leading to layer exfoliation and, consequently, a reduction in the average nanoparticle…

Materials Science · Physics 2026-04-14 Geetika Sahu

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…

Materials Science · Physics 2009-10-31 J. Schiøtz , T. Vegge , K. W. Jacobsen

The shape of nanocrystals is crucial in determining their surface area, reactivity, optical properties, mechanical strength, and self-assembly behavior. Traditionally, shape control has been achieved through empirical methods, highlighting…

Materials Science · Physics 2024-10-15 Carlos L. Bassani , Michael Engel

Nanodiamonds (NDs) are key materials for building nanoscale quantum sensing, imaging and communication devices. Scalable configuration of single NDs on heterogeneous platforms, forming photonic quantum source arrays, will be an essential…

The nucleation and structure of silicon nanocrystals formed by different preparation conditions and silicon concentration (28 - 70 area %) have been studied using Transmission Electron Microscopy (TEM), Energy Filtered TEM (EFTEM) and…

The use of biomaterials - with techniques such as DNA-directed assembly or bio-directed synthesis - can surpass top-down fabrication techniques in creating plasmonic superstructures, in terms of spatial resolution, range of functionality…

Context: Recent reaction rate evaluations include reaction rate uncertainties that have been determined in a statistically meaningful manner. Furthermore, reaction rate probability density distributions have been determined and published in…

Instrumentation and Methods for Astrophysics · Physics 2015-06-11 Richard Longland

Statistical shape modeling (SSM) is an enabling quantitative tool to study anatomical shapes in various medical applications. However, directly using 3D images in these applications still has a long way to go. Recent deep learning methods…

Computer Vision and Pattern Recognition · Computer Science 2023-10-04 Abu Zahid Bin Aziz , Jadie Adams , Shireen Elhabian

Amorphous solids exhibit structural short-range order despite lacking long-range crystalline order, with this structural descriptor found to be important for determining mechanical properties. Nanobeam electron diffraction offers a…

Materials Science · Physics 2026-05-21 Junjie Wu , Timothy J. Rupert

The ability to predict the morphology of crystals formed by chemical reactions is of fundamental importance for the shape-controlled synthesis of nanostructures. Based on the atomistic mechanism for crystal growth under different driving…

Materials Science · Physics 2009-11-13 B. Viswanath , Paromita Kundu , B. Mukherjee , N. Ravishankar

Copper nanoparticles (Cu NPs) have a broad applicability, yet their synthesis is sensitive to subtle changes in reaction parameters. This sensitivity, combined with the time- and resource-intensive nature of experimental optimization, poses…

The optical response of a suspension microdroplet is governed not only by the properties of the dispersed phase, but also by the finite size and optical structure of the droplet itself. As a result, the interpretation of scattered-light…

Applied Physics · Physics 2026-04-09 Yaroslav Shopa , Kwasi Nyandey , Daniel Jakubczyk

Fluid ferroelectrics, a recently discovered class of liquid crystals that exhibit switchable, long-range polar order, offer opportunities in ultrafast electro-optic technologies, responsive soft matter, and next-generation energy materials.…