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Spatial structure of quasilocalized vibrations in nearly jammed amorphous solids

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Quantitative Analysis of Nanorough Hydrogenated Si(111) Surfaces through Vibrational Spectral Assignment by Periodic DFT Calculations br

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In this work, we use periodic density functional theory(periodic DFT) to rigorously assign vibrational spectra measured on nanorough wet-processed hydrogenated Si(111) surfaces. We compare Si(111)-(1x1) surfaces etched by dilute HF and NH4F, featuring two ...

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State-to-state surface scattering of methane studied by bolometric infrared laser tagging detection

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Perovskite solar cells have emerged as the most promising cheaper photovoltaic technology. Besides solar cells, halide perovskites have a wide range of applications due to their remarkable optoelectronic properties. Starting from 3.8% in 2009, solar to the ...

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Making Molecules Vibrate: Interactive Web Environment for the Teaching of Infrared Spectroscopy

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Infrared spectroscopy (IR) is a staple structural elucidation and characterization technique because of its ability to identify functional groups and its ease of use. Interestingly, it allows the capture of electronic effects via their influence on the bon ...

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VO2:Ge based thermochromic solar absorber coatings

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Flat plate solar collectors face the problem of overheating and the ensuing high thermal stresses and general collector damage lead to high maintenance costs. To address this challenge, absorber coatings with a passive optical switch at critically high ope ...

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Thermal Modelling and Experimental Validation in the Perspective of Tool Steel Laser Polishing

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Laser polishing (LP) is a process that allows a significant reduction of the surface roughness of a metal workpiece via re-melting a shallow layer of material. However, the practical use of LP is limited due to the difficulty of satisfying the high surface ...

MDPI2022

Local excitations in amorphous solids

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Amorphous solids are structurally disordered. They are very common and include glasses, colloids, and granular materials, but are far less understood than crystalline solids. Key aspects of these materials are controlled by the presence of excitations in w ...

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Scaling Description of Creep Flow in Amorphous Solids

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Amorphous solids such as coffee foam, toothpaste, or mayonnaise display a transient creep flow when a stress E is suddenly imposed. The associated strain rate is commonly found to decay in time as gamma_ -t-nu, followed either by arrest or by a sudden flui ...

AMER PHYSICAL SOC2022

Thermal critical points from competing singlet formations in fully frustrated bilayer antiferromagnets

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We examine the ground-state phase diagram and thermal phase transitions in a plaquettized fully frustrated bilayer spin-1/2 Heisenberg model. Based on a combined analysis from sign-problem free quantum Monte Carlo simulations, perturbation theory, and free ...

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Thermally activated flow in models of amorphous solids

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Amorphous solids yield at a critical value Sigma(c) of the imposed stress Sigma through a dynamical phase transition. While sharp in athermal systems, the presence of thermal fluctuations leads to the rounding of the transition and thermally activated flow ...

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Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

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We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

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