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For the permittivity tensor of photoelastic anisotropic crystals we obtain the exact non-linear dependence on the Cauchy stress tensor. We obtain the same result for its square root whose principal components, the crystal principal…

Classical Physics · Physics 2021-03-17 Fabrizio Davì

We achieved a tripling of the maximum range of perpendicular momentum transfer (q_z) of X-ray scattering from liquid surfaces using a double crystal deflector setup to tilt the incident X-ray beam. This is obtained by using Miller indices…

Materials Science · Physics 2022-10-28 Oleg Konovalov , Valentina Belova , Mehdi Saedi , Irene Groot , Gilles Renaud , Maciej Jankowski

In this paper, based on the analysis of the formula (2.2) for calculating the elastic scattering diagrams of microparticles on a multilayer crystal surface, derived by the author in the article [3], it is shown that the stochastic approach…

General Physics · Physics 2021-10-04 Mikhail Batanov-Gaukhman

We report on ultrafast electron diffraction on high quality single crystal silicon. The ultrafast dynamics of the Bragg peaks exhibits a giant photo-induced response which can only be explained in the framework of dynamical diffraction…

We present a new approach for simulating x-ray nanobeam Bragg coherent diffraction patterns based on the Takagi-Taupin equations. Compared to conventional methods, the current approach can be universally applied to any weakly strained…

Mesoscale and Nanoscale Physics · Physics 2024-07-12 T. Zhou , M. J. Cherukara , S. Kandel , M. Allain , N. Hua , O. Shpyrko , Y. Takamura , Z. Cai , S. O. Hruszkewycz , M. V. Holt

We present simulations of Bragg Coherent X-ray Diffractive Imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on numerical solution of modified Takagi-Taupin…

Materials Science · Physics 2017-08-30 A. G. Shabalin , O. M. Yefanov , V. L. Nosik , V. A. Bushuev , I. A. Vartanyants

Relaxation volume tensors quantify the effect of stress on diffusion of crystal defects. Continuum linear elasticity predicts that calculations of these parameters using periodic boundary conditions do not suffer from systematic deviations…

Materials Science · Physics 2009-11-13 B. Puchala , M. L. Falk , K. Garikipati

Two theoretical models for the description of the diffraction properties of gradient crystals have been developed, one in the framework of the kinematic theory, the other within a transfer matrix formalism based on the dynamical theory of…

Materials Science · Physics 2019-01-04 Klaus-Dieter Liss

We report a first exploration of High-angular-Resolution Electron Backscatter Diffraction, without using simulated Electron Backscatter Diffraction patterns as a reference, for absolute stress and orientation measurements in polycrystalline…

Materials Science · Physics 2018-11-26 Tijmen Vermeij , Marc De Graef , Johan Hoefnagels

Two-dimensional (2D) materials have attracted wide-spread interest due to their unique and tunable properties. Their optoelectronic, mechanical, and thermal properties are greatly influenced by crystal defects, which are, in turn, used to…

Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is efficient and accurate for calculating the elastic and bending…

Materials Science · Physics 2026-03-23 Changpeng Lin , Samuel Poncé , Francesco Macheda , Francesco Mauri , Nicola Marzari

We present calculations of the millielectronvolt-scale x-ray scattering spectra of multilayered dynamic-compression targets comprising an unstructured ablator layer and a crystalline, textured sample layer. Our model builds on the classic…

Applied Physics · Physics 2026-05-21 P. G. Heighway , J. S. Wark

Measurement modalities in Bragg coherent diffraction imaging (BCDI) rely on finding signal from a single nanoscale crystal object, which satisfies the Bragg condition among a large number of arbitrarily oriented nanocrystals. However, even…

The isothermal compressibility of a general crystal is derived and discussed within (classical) density functional theory. Starting from the microscopic particle density, we carefully coarse grain to obtain the thermodynamic compressibility…

Soft Condensed Matter · Physics 2015-07-30 Christof Walz , Grzegorz Szamel , Matthias Fuchs

The problem of neutron scattering by the single magnetic atom is theoretically considered in the second order perturbation theory. It is demonstrated that elastic scattering of unpolarized neutron by magnetic atom is skewed, i.e. contains…

Other Condensed Matter · Physics 2015-05-22 O. G. Udalov

A general symmetry analysis of the optical conductivity or scattering tensor is used to rewrite the conductivity tensor as a sum of fundamental spectra multiplied by simple functions depending on the local magnetization direction. Using…

Strongly Correlated Electrons · Physics 2010-09-17 M. W. Haverkort , N. Hollmann , I. P. Krug , A. Tanaka

To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free energy function with one variable with respect to strain at…

Materials Science · Physics 2015-06-03 Tianjiao Shao , Bin Wen , Roderick Melnik , Shan Yao , Yoshiyuki Kawazoe , Yongjun Tian

Cholesteric liquid crystal elastomers have interesting and potentially very useful photonic properties. In an ideal monodomain configuration of these materials, one finds a Bragg-reflection of light in a narrow wavelength range and a…

Soft Condensed Matter · Physics 2009-11-10 P. Cicuta , A. R. Tajbakhsh , E. M. Terentjev

The Fraunhofer diffraction of quantum particles from materials with sharp electron-density edges or symmetric bond structures is ubiquitous. In contrast, diffraction from atoms with characteristic asymptotically-diffused electron…

The objective of this article is to study the behavior of electromagnetic field under X-ray diffraction by time-dependent deformed crystals. Derived system of differential equations looks like the Takagi equations in the case of…

Computational Physics · Physics 2007-05-23 Svetlana Sytova