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We apply a recently developed technique utilizing machine learning for statistical analysis of computational nitrogen K-edge spectra of aqueous triglycine. This method, the emulator-based component analysis, identifies spectrally relevant…

软凝聚态物质 · 物理学 2024-02-14 Eemeli A. Eronen , Anton Vladyka , Florent Gerbon , Christoph. J. Sahle , Johannes Niskanen

We demonstrate the measurement and manipulation of the temperature of cold CO molecules in a microchip environment. Through the use of time-resolved spatial imaging, we are able to observe the phase-space distribution of the molecules, and…

Understanding microstructural evolution under extreme thermal conditions is essential for advancing metal additive manufacturing (AM). This work demonstrates the feasibility of employing micro-electro-mechanical system (MEMS) heating…

材料科学 · 物理学 2026-01-12 C. Koenig , P. Mayr , J. R. Jinschek , A. Bastos Fanta

Femtosecond coherent multidimensional spectroscopy is demonstrated for an ultracold gas. For this, a setup for phase modulation spectroscopy is used to probe the $3^2\mathrm{S}_{1/2} - 2^2\mathrm{P}_{1/2, 3/2}$ transition in an 800…

原子物理 · 物理学 2023-01-16 Friedemann Landmesser , Tobias Sixt , Katrin Dulitz , Lukas Bruder , Frank Stienkemeier

A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the resulting model the first-principles-based phonon dispersion…

材料科学 · 物理学 2009-11-07 Sven P. Rudin , M. D. Jones , C. W. Greeff , R. C. Albers

X-ray absorption fine structure (XAFS) and x-ray emission spectroscopy (XES) are advanced x-ray spectroscopies that impact a wide range of disciplines. However, unlike the majority of other spectroscopic methods, XAFS and XES are…

The high thermal conductivity of boron arsenide (BAs) makes it a promising material for optoelectronic applications in which thermal management is central. In this work, we study the finite temperature optoelectronic properties of BAs by…

材料科学 · 物理学 2019-06-18 Ivona Bravić , Bartomeu Monserrat

Non-equilibrium (NE) molecular dynamics (MD), or NEMD, gives a "direct" simulation of thermal conductivity kappa. Heat H(x) is added and subtracted in equal amounts at different places x. After steady state is achieved, the temperature T(x)…

材料科学 · 物理学 2016-12-06 Philip B. Allen , Yerong Li

In this article, we present a simulation study of the linear and nonlinear spectroscopy of dense atomic vapors. Motivated by recent experiments, we focus on double quantum spectroscopy which directly probes dipole-dipole interactions. By…

原子物理 · 物理学 2023-07-17 Cyril Falvo , Hebin Li

Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approximation up to temperatures $T$ of order the Fermi…

材料科学 · 物理学 2023-03-29 Tun S. Tan , J. J. Kas , S. B. Trickey , J. J. Rehr

Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room temperature. Nevertheless most {\it ab-initio} studies are…

介观与纳米尺度物理 · 物理学 2016-06-06 Alejandro Molina-Sánchez , Maurizia Palummo , Andrea Marini , Ludger Wirtz

We demonstrate a technique for obtaining the density of atomic vapor, by doing a fit of the resonant absorption spectrum to a density-matrix model. In order to demonstrate the usefulness of the technique, we apply it to absorption in the…

原子物理 · 物理学 2017-06-15 Harish Ravi , Mangesh Bhattarai , Vasant Natarajan

We develop a first-principles scheme based on the continued fraction approach an d ultrasoft pseudopotentials to calculate K-edge X-ray absorption spectra in solids. The method allows for calculations of K-edge X-ray absorption spectra in…

材料科学 · 物理学 2009-06-29 Christos Gougoussis , Matteo Calandra , Ari P. Seitsonen , Francesco Mauri

Time-resolved X-ray absorption spectroscopy (TR-XAS), based on laser-pump/X-ray probe method, is powerful in capturing the change of geometrical and electronic structure of the absorbing atom upon excitation. TR-XAS data analysis is…

化学物理 · 物理学 2017-03-08 Fei Zhan , Ye Tao , Haifeng Zhao

We develop ion-ion pair potentials for Al, Na and K for densities and temperatures relevant to the warm-dense-matter (WDM) regime. Furthermore, we emphasize non-equilibrium states where the ion temperature $T_i$ differs from the electron…

材料科学 · 物理学 2015-03-19 Louis Harbour , M. W. Chandre Dharma-wardana , Dennis D. Klug , Laurent J. Lewis

Electrically detected electron spin resonance (EDESR) signals were acquired as a function of temperature in the 0.3-4.2 K temperature range in a AlGaAs/GaAs multiple quantum well sample at the filling factor at 5.7 T. In the particular…

介观与纳米尺度物理 · 物理学 2009-11-07 Eugene Olshanetsky , Manyam Pilla , Joshua D. Caldwell , Shu-chen Liu , Clifford R. Bowers , Jerry A. Simmons , John L. Reno

Analysis of extended X-ray absorption fine structure (EXAFS) data by the use of sparse modeling is presented. We consider the two-body term in the n-body expansion of the EXAFS signal to implement the method, together with calculations of…

We present an experimental set-up developed to perform optical spectroscopy experiments (Raman scattering and photoluminescence measurements) with a micrometer spatial resolution, in an extreme environment of low temperature, high magnetic…

We investigated plasma heating enhancement using a high-intensity, high-contrast laser and a cone-attached target. Fast electron spectra and X-ray emission were measured with an electron spectrometer and a Bragg crystal spectrometer. The…