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Many disordered crystalline materials show chemical short range order and relaxation of neighboring atoms. Local structural information can be obtained by analyzing the atomic pair distribution function (PDF). The viability of reverse Monte…

Materials Science · Physics 2007-05-23 Th. Proffen

Fractional calculus has been used to describe physical systems with complexity. Here, we show that a fractional calculus approach can restore or include complexity in any physical systems that can be described by partial differential…

Mesoscale and Nanoscale Physics · Physics 2024-08-06 Kyle Rockwell , Ezio Iacocca

We propose a divide-and-conquer approach to filtering which decomposes the state variable into low-dimensional components to which standard particle filtering tools can be successfully applied and recursively merges them to recover the full…

Methodology · Statistics 2022-11-28 Francesca R. Crucinio , Adam M. Johansen

A novel method based on Fast Neutron Resonance Transmission Radiography is proposed for non-destructive, quantitative determination of the weight percentages of oil and water in cores taken from subterranean or underwater geological…

We present a detailed study of the energetics of water clusters (H$_2$O)$_n$ with $n \le 6$, comparing diffusion Monte Carlo (DMC) and approximate density functional theory (DFT) with well converged coupled-cluster benchmarks. We use the…

Materials Science · Physics 2015-06-04 M. J. Gillan , F. R. Manby , M. D. Towler , D. Alfè

We present an extensive Monte Carlo study on light transport in optically thin slabs, addressing both axial and transverse propagation. We completely characterize the so-called ballistic-to-diffusive transition, notably in terms of the…

We consider the homogenization for time-fractional diffusion equations in a periodic structure and we derive the homogenized time-fractional diffusion equation. Then we discuss the determination of the constant diffusion coefficient by…

Analysis of PDEs · Mathematics 2023-03-06 Atsushi Kawamoto , Manabu Machida , Masahiro Yamamoto

We present a general framework for the rigorous numerical analysis of time-fractional nonlinear parabolic partial differential equations, with a fractional derivative of order $\alpha\in(0,1)$ in time. The framework relies on three…

Numerical Analysis · Mathematics 2017-12-05 Bangti Jin , Buyang Li , Zhi Zhou

Diffusion models have established new state of the art in a multitude of computer vision tasks, including image restoration. Diffusion-based inverse problem solvers generate reconstructions of exceptional visual quality from heavily…

Image and Video Processing · Electrical Eng. & Systems 2024-08-21 Zalan Fabian , Berk Tinaz , Mahdi Soltanolkotabi

We simulate liquid water between hydrophobic walls separated by 0.5 nm, to study how the diffusion constant D_\parallel parallel to the walls depends on the microscopic structure of water. At low temperature T, water diffusion can be…

Soft Condensed Matter · Physics 2015-05-30 Francisco de los Santos , Giancarlo Franzese

We calculate the distribution function of the end--to--end distance of a semiflexible polymer with large bending rigidity. This quantity is directly observable in experiments on single semiflexible polymers (e.g., DNA, actin) and relevant…

Condensed Matter · Physics 2009-10-28 Jan Wilhelm , Erwin Frey

In this paper, we prove a result of equivalence in law between a diffusion conditioned with respect to partial observations and an auxiliary process. By partial observations we mean coordinates (or linear transformation) of the process at a…

Probability · Mathematics 2011-05-10 Jean-Louis Marchand

We present computer simulations of anomalous diffusion, $< r^2(t) > \sim a t^{1-\delta}$, in two dimensions. The Monte Carlo calculations are in excellent agreement with previous renormalization group calculations. Interestingly, use of a…

Statistical Mechanics · Physics 2009-10-31 Victor Pham , Michael W. Deem

Recent probing of H2O-D2O mixtures by various means (neutron deep-inelastic scattering, Raman absorption, electrical H+/D+ conductivity) revealed an unexpected dependence of the relevant physical quantities on the isotopic composition of…

Statistical Mechanics · Physics 2007-05-23 M. Buzzacchi , E. Del Giudice , G. Preparata

A high-accuracy solution of the diffraction problem has become necessary for the treatment of certain special questions of statistical physics. This article reports the creation of a computer program that serves as an instrumental method of…

Optics · Physics 2013-08-30 Vladimir V. Savukov , Igor V. Golubenko

Solving the continuum radiative transfer equation in high opacity media requires sophisticated numerical tools. In order to test the reliability of such tools, we present a benchmark of radiative transfer codes in a 2D disc configuration.…

Solar and Stellar Astrophysics · Physics 2015-05-13 C. Pinte , T. J. Harries , M. Min , A. M. Watson , C. P. Dullemond , P. Woitke , F. Menard , M. C. Duran-Rojas

Time-resolved soft-x-ray-diffraction experiments give access to microscopic processes in a broad range of solid-state materials by probing ultrafast dynamics of ordering phenomena. While laboratory-based high-harmonic generation (HHG) light…

In high dimensions, reflective Hamiltonian Monte Carlo with inexact reflections exhibits slow mixing when the particle ensemble is initialised from a Dirac delta distribution and the uniform distribution is targeted. By quantifying the…

Machine Learning · Statistics 2026-03-20 Namu Kroupa , Gábor Csányi , Will Handley

The Diffusion Monte Carlo (DMC) method is applied to the water monomer, dimer, and hexamer, using q-TIP4P/F, one of the most simple, empirical water models with flexible monomers. The bias in the time step ($\Delta\tau$) and population size…

Chemical Physics · Physics 2016-09-28 Joel D. Mallory , Sandra E. Brown , Vladimir A. Mandelshtam

When a plane electromagnetic wave impinges upon a diffraction grating or other periodic structures, reflected and transmitted waves propagate away from the structure in different radiation channels. A diffraction anomaly occurs when the…

Computational Physics · Physics 2022-10-05 Zitao Mai , Ya Yan Lu