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Characterizing crystal structures and interfaces down to the atomic level is an important step for designing advanced materials. Modern electron microscopy routinely achieves atomic resolution and is capable to resolve complex arrangements…

Hydrogen plays critical roles in materials science, particularly for advancing technologies in hydrogen storage and phase manipulation, while also posing challenges like hydrogen embrittlement. Understanding its behavior, vital for…

材料科学 · 物理学 2025-07-28 Pengcheng Li , Chenglin Pua , Zehao Dong , Zhengxiong Su , Tao Liu , Chao Cai , Huahai Shen , Lin Gu , Zhen Chen

We develop a generalized theory for the scattering process produced by interface roughness on charge carriers and which is suitable for any semiconductor heterostructure. By exploiting our experimental insights into the three-dimensional…

Functional properties of nanomaterials strongly depend on their surface atomic structure, but they often become largely different from their bulk structure, exhibiting surface reconstructions and relaxations. However, most of the surface…

材料科学 · 物理学 2021-10-01 Juhyeok Lee , Chaehwa Jeong , Yongsoo Yang

We extend thresholding methods for numerical realization of mean curvature flow on obstacles to the anisotropic setting where interfacial energy depends on the orientation of the interface. This type of schemes treats the interface…

数值分析 · 数学 2021-06-09 Siddharth Gavhale , Karel Svadlenka

Mesoscale water-hydrophobic interfaces are of fundamental importance in multiple disciplines, but their molecular properties have remained elusive for decades due to experimental complications and alternate theoretical explanations.…

化学物理 · 物理学 2024-05-06 Lixue Shi , R. Allen LaCour , Xiaoqi Lang , Joseph P. Heindel , Teresa Head-Gordon , Wei Min

We introduce Soft Anisotropic Diagrams (SAD), an explicit and differentiable image representation parameterized by a set of adaptive sites in the image plane. In SAD, each site specifies an anisotropic metric and an additively weighted…

计算机视觉与模式识别 · 计算机科学 2026-04-28 Laki Iinbor , Zhiyang Dou , Wojciech Matusik

We derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. Each ChemCam passive sky observation acquires spectra at two different elevation…

Evidence for capillary waves at a liquid/vapor interface are presented from extensive molecular dynamics simulations of a system containing up to 1.24 million Lennard-Jones particles. Careful measurements show that the total interfacial…

统计力学 · 物理学 2009-10-31 Scott W. Sides , Gary S. Grest , Martin-D. Lacasse

Recent advances in scanning transmission electron and scanning tunneling microscopies allow researchers to measure materials structural and electronic properties, such as atomic displacements and charge density modulations, at an Angstrom…

Photonic crystals (PCs) offer unique ways to control light-matter interactions. The measurement of dispersion relations is a fundamental prerequisite if we are to create novel functionalities in PC devices. Angle-resolved spectroscopic…

Depth profiling of thin films by inert gas sputtering is one of the most important applications of Auger electron spectroscopy and X-ray photoelectron spectroscopy. Such an analysis monitors the elemental in-depth composition of the thin…

材料科学 · 物理学 2021-01-05 Uwe Scheithauer

The interface between semiconductors and ion-conducting electrolytes is characterised by charge distributions and potential drops that vary substantially with the evolution of surface states. These surface states at the very interface to…

材料科学 · 物理学 2025-12-23 Marco Flieg , Margot Guidat , Matthias M. May

This paper presents our current measurements in a vapor nanocell aiming at a test of the distance-dependence of the atom-surface interaction, when simple asymptotic descriptions may turn to be not valid. A state-of-the-art of atom-surface…

We describe and illustrate a simple procedure for identifying a liquid interface from atomic coordinates. In particular, a coarse grained density field is constructed, and the interface is defined as a constant density surface for this…

软凝聚态物质 · 物理学 2014-09-09 Adam P. Willard , David Chandler

The band alignment of semiconductor-metal interfaces plays a vital role in modern electronics, but remains difficult to predict theoretically and measure experimentally. For interfaces with strong band bending a main difficulty originates…

We explore photo-electron spectra (PES) and photo-electron angular distributions (PAD) of C$_{60}$ with time-dependent density functional theory (TDDFT) in real time. To simulate experiments in gas phase, we consider isotropic ensembles of…

原子与分子团簇 · 物理学 2014-12-12 C. -Z. Gao , P. Wopperer , P. M. Dinh , E. Suraud , P. -G. Reinhard

Highly anisotropic interfaces play an important role in the development of material microstructure. Using the diffusive atomistic phase-field crystal (PFC) formalism, we determine the capability of the model to quantitatively describe these…

材料科学 · 物理学 2018-08-29 Nana Ofori-Opoku , James A. Warren , Peter W. Voorhees

We dispersively interface an ensemble of one thousand atoms trapped in the evanescent field surrounding a tapered optical nanofiber. This method relies on the azimuthally-asymmetric coupling of the ensemble with the evanescent field of an…

量子物理 · 物理学 2015-03-19 S. T. Dawkins , R. Mitsch , D. Reitz , E. Vetsch , A. Rauschenbeutel

Microscopic understanding of liquid properties is essential for advancing a wide range of applications from energy applications such as nuclear reactors and batteries to biomedical applications including drug delivery and microfluidics.…

化学物理 · 物理学 2026-03-24 Jaeyun Moon