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Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Machine Learning · Computer Science 2025-08-27 Wenyin Zhou , Christopher Iliffe Sprague , Vsevolod Viliuga , Matteo Tadiello , Arne Elofsson , Hossein Azizpour

Plasticity is inherent to many engineering materials such as metals. While it can degrade the load-carrying capacity of structures via material yielding, it can also protect structures through plastic energy dissipation. To fully harness…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Yingqi Jia , Xiaojia Shelly Zhang

The recent rise of electricity generation based on renewable energy sources increases the demand for transmission capacity. Capacity expansion via the upgrade of transmission line capacity, e.g., by conversion to a high-voltage direct…

Optimization and Control · Mathematics 2016-11-01 Matthias Hotz , Wolfgang Utschick

Flow visualization technologies such as particle tracking velocimetry (PTV) are broadly used in understanding the all-pervasiveness three-dimensional (3D) turbulent flow from nature and industrial processes. Despite the advances in 3D…

Fluid Dynamics · Physics 2022-11-01 Jiaming Liang , Chao Xu , Shengze Cai

Utilizing synthetic dimensions generated by spatial or temporal modulation, topological pumping enables the exploration of higher-dimensional topological phenomena through lower-dimensional physical systems. In this letter, we propose a…

Other Condensed Matter · Physics 2024-04-24 Xianggui Ding , Zongliang Du , Jiachen Luo , Hui Chen , Zhenqun Guan , Xu Guo

The integration of renewable energy into the power grid is often hindered by its fragmented infrastructure, leading to inefficient utilization due to the variability of energy production and its reliance on weather conditions. Battery…

Systems and Control · Electrical Eng. & Systems 2025-02-20 Dhrumil Bhatt , Siddharth Penumatsa , Nirbhay Singhal

Magnetohydrodynamically induced interface instability in liquid metal batteries is analyzed. The batteries are represented by a simplified system in the form of a rectangular cell, in which strong vertical electric current flows through…

Fluid Dynamics · Physics 2018-04-12 Oleg Zikanov

Electrochemically mediated selective adsorption is an emerging electrosorption technique that utilizes Faradaically enhanced redox active electrodes, which can adsorb ions not only electrostatically, but also electrochemically. The superb…

Chemical Physics · Physics 2021-01-05 Fan He , Martin Z. Bazant , T. Alan Hatton

Topology optimization (TopOpt) is a mathematical-driven design procedure to realize optimal material architectures. This procedure is often used to automate the design of devices involving flow through porous media, such as micro-fluidic…

Numerical Analysis · Mathematics 2021-06-01 T. Phatak , K. B. Nakshatrala

Topology optimization is used to systematically design contact-aided thermo-mechanical regulators, i.e. components whose effective thermal conductivity is tunable by mechanical deformation and contact. The thermo-mechanical interactions are…

Computational Engineering, Finance, and Science · Computer Science 2024-06-04 Anna Dalklint , Joe Alexandersen , Andreas Henrik Frederiksen , Konstantinos Poulios , Ole Sigmund

The global energy landscape is undergoing a transformative shift towards renewable energy and advanced storage solutions, driven by the urgent need for sustainable and resilient power systems. Isolated offshore communities, such as islands…

Systems and Control · Electrical Eng. & Systems 2025-05-09 Ann Mary Toms , Xingpeng Li , Kaushik Rajashekara

This paper presents a novel hierarchical framework for real-time, network-admissible coordination of responsive grid resources aggregated into virtual batteries (VBs). In this context, a VB represents a local aggregation of directly…

Systems and Control · Electrical Eng. & Systems 2020-10-08 Sarnaduti Brahma , Nawaf Nazir , Hamid Ossareh , Mads Almassalkhi

Density Functional Theory (DFT) calculations of electrode material properties in high energy density storage devices like lithium batteries have been standard practice for decades. In contrast, DFT modelling of explicit interfaces in…

Materials Science · Physics 2020-06-24 Kevin Leung

A simple analytical model of a layered system comprised of a single passage of a serpentine flow channel and a parallel underlying porous electrode (or porous layer) is proposed. This analytical model is derived from Navier-Stokes motion in…

Fluid Dynamics · Physics 2016-10-20 Xinyou Ke , J. Iwan D. Alexander , Joseph M. Prahl , Robert F. Savinell

This study proposes a novel topology optimization method for unsteady fluid flows induced by actively moving rigid bodies. The key idea of the proposed method is to decouple the design and analysis domains by using separate grids. The…

Optimization and Control · Mathematics 2025-07-01 Yuta Tanabe , Kentaro Yaji , Kuniharu Ushijima

Threading magnetic flux into topological phases can induce bound states that reveal intrinsic properties of the ground state. In a 3D $\mathbb{Z}_2$ topological insulator, a quantized $\pi$ flux traps a pair of 1D helical modes, whereas a…

Mesoscale and Nanoscale Physics · Physics 2025-08-13 Yechen Xun , Rui-Xing Zhang

Liquid metal batteries (LMBs) are a promising grid-scale storage device however, the scalability of this technology and its electrochemical performance is limited by mass transport overpotentials. In this work, a numerical model of a…

Fluid Dynamics · Physics 2024-10-15 Declan Finn Keogh , Mark Baldry , Victoria Timchenko , John Reizes , Chris Menictas

While the spatial arrangement of individual units is essential for the physical implementation of quantum batteries, geometry-dependent interactions are rarely explicitly incorporated into existing theoretical models. To address this, we…

Quantum Physics · Physics 2026-04-28 Yi-Fan Yang , Shun-Cai Zhao

Multi-terminal high voltage direct current (MTHVDC) technology is a promising technology for the offshore wind farm integration, which requires the new control and operation scheme. Therefore, the optimal power flow problem for this system…

Systems and Control · Electrical Eng. & Systems 2020-04-08 Yuhao Zhou , Long Zhao , Wei-Jen Lee , Zhenyuan Zhang , Peng Wang

We study topology optimization governed by the incompressible Navier-Stokes flows using a phase field model. Novel stabilized semi-implicit schemes for the gradient flows of Allen-Cahn and Cahn-Hilliard types are proposed for solving the…

Numerical Analysis · Mathematics 2024-05-09 Jiajie Li , Shengfeng Zhu
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