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Polycrystalline hcp metals - an important class of engineering materials - typically exhibit complex plasticity because of a limited number of slip systems. Among these metals, deformation is even more complicated in cobalt as it commonly…

Researchers are currently exploring nanoporous two-dimensional materials, such as hexagonal boron nitride (hBN), as potential desalination membranes. Here, we study the effect of grain boundaries (GBs) and interfacial electrostatic…

Materials Science · Physics 2022-02-22 Ananth Govind Rajan , Bharat Bhushan Sharma

Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play an essential role in defining the materials properties across…

Analysis of PDEs · Mathematics 2020-08-31 Yekaterina Epshteyn , Chun Liu , Masashi Mizuno

Standard approaches to controlling dynamical systems involve biologically implausible steps such as backpropagation of errors or intermediate model-based system representations. Recent advances in machine learning have shown that…

Statistical Mechanics · Physics 2025-07-11 Carlos Floyd , Aaron R. Dinner , Suriyanarayanan Vaikuntanathan

Nanoindentation involves probing a hard diamond tip into a material, where the load and the displacement experienced by the tip is recorded continuously. This load-displacement data is a direct function of material's innate stress-strain…

Computational Engineering, Finance, and Science · Computer Science 2016-12-13 Salah U. Hamim

A nonlinear dynamical system model that approximates a microscopic Gibbs field model for the yielding of a viscoplastic material subjected to varying external stress recently reported in [1] is presented. The predictions of the model are in…

Soft Condensed Matter · Physics 2016-10-04 Sainudiin Raazesh , Moyers-Gonzalez Miguel , Burghelea Teodor

Understanding non-equilibrium phenomena, such as growth, and connecting them to equilibrium phase behavior is a major challenge, in particular for complex multicomponent materials. We use X-ray reflectivity to determine the surface…

Grain boundary (GB) migration governs microstructure evolution and can mediate plastic deformation through sliding or shear coupling. Numerous experimental and numerical studies have reported a wide range of behaviors associated with…

Materials Science · Physics 2026-02-03 Brandon Runnels

Weakly stationary Gaussian processes (GPs) are the principal tool in the statistical approaches to the design and analysis of computer experiments (or Uncertainty Quantification). Such processes are fitted to computer model output using a…

Methodology · Statistics 2019-02-28 Victoria Volodina , Daniel B. Williamson

Continuum mechanics simulators, numerically solving one or more partial differential equations, are essential tools in many areas of science and engineering, but their performance often limits application in practice. Recent modern machine…

Machine Learning · Computer Science 2021-06-10 Mario Lino , Chris Cantwell , Anil A. Bharath , Stathi Fotiadis

We present a data-driven machine-learning approach for modeling space-time socioeconomic dynamics. Through coarse-graining fine-scale observations, our modeling framework simplifies these complex systems to a set of tractable mechanistic…

Machine Learning · Computer Science 2024-07-26 James Koch , Pranab Roy Chowdhury , Heng Wan , Parin Bhaduri , Jim Yoon , Vivek Srikrishnan , W. Brent Daniel

We describe numerical solutions of two non potential models of pattern formation in nonequilibrium systems to address the motion and decay of grain boundaries separating domains of stripe configurations of different orientations. We first…

Soft Condensed Matter · Physics 2009-11-11 Zhi-Feng Huang , Jorge Vinals

Predicting the molecular friction and energy landscapes under nonequilibrium conditions is key to coarse-graining the dynamics of selective solute transport through complex, fluctuating and responsive media, e.g., polymeric materials such…

Soft Condensed Matter · Physics 2025-07-03 Sebastian Milster , Joachim Dzubiella , Gerhard Stock , Steffen Wolf

While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is known about the effect of GB segregation on GB diffusion.…

Materials Science · Physics 2020-08-17 R. K. Koju , Y. Mishin

Rate of grain growth, which aides in achieving desired properties in polycrystalline materials, is conventionally estimated by measuring the size of grains and tracking its change in micrographs reflecting the temporal evolution. Techniques…

Materials Science · Physics 2024-06-17 Manoj Prabakar , P G Kubendran Amos

Coarse-grained (CG) models facilitate an efficient exploration of complex systems by reducing the unnecessary degrees of freedom of the fine-grained (FG) system while recapitulating major structural correlations. Unlike structural…

Chemical Physics · Physics 2023-01-18 Jaehyeok Jin , Kenneth S. Schweizer , Gregory A. Voth

Recent advancements in learned 3D representations have enabled significant progress in solving complex robotic manipulation tasks, particularly for rigid-body objects. However, manipulating granular materials such as beans, nuts, and rice,…

Robotics · Computer Science 2025-03-10 Wei-Cheng Tseng , Ellina Zhang , Krishna Murthy Jatavallabhula , Florian Shkurti

Modern detector technology and highly brilliant fourth-generation synchrotrons allow to improve the temporal resolution in time-resolved diffraction studies. Profiting from this, we applied temperature scanning X-ray photon correlation…

Engineering simulations using boundary-value partial differential equations often implicitly assume that the uncertainty in the location of the boundary has a negligible impact on the output of the simulation. In this work, we develop a…

Tissues and Organs · Quantitative Biology 2024-06-11 S. Gerry Gralton , Farah Alkhatib , Ben Zwick , George Bourantas , Adam Wittek , Karol Miller

The variational static formulation contributed in [International Journal of Engineering Science 143, 73-91 (2019)] is generalized in the present paper to model axial and flexural dynamic behaviors of elastic nano-beams by nonlocal strain…