PRX Energy - September 2023

PRX Energy View Email Online   Volume 2, Issue 3 July - September 2023   View Issue   Advertisement Upcoming Physical Review Journal Club session October 23 | 11:30 a.m. ET: Antonio Chahine (Institut de Mecanique des Fluides de Toulouse) on the Physical Review Fluids paper: "Caterpillar like motion of droplet in a shear flow". Registration is free and a video recording will be provided to all registrants.     Advertisement Make your manuscript publication-ready with Author Services from APS! Do you need language assistance for your next submission? Take advantage of new translation, figure assistance, and text editing services provided by APS and Editage. Experience exceptional support, expertise, and dedication for all your publishing needs. Get a quote.     Advertisement Submit Your Abstract for APS March Meeting 2024 The abstract submission deadline is quickly approaching! Don't miss this opportunity to showcase your work to a global audience of physicists, scientists, and students representing 32 APS Units and Committees and explore groundbreaking research from industry, academia, and major labs. Submit your abstract by October 20.     Not an APS member? Join today to start connecting with a community of more than 50,000 physicists.   To Review Is to Be Randall D. Kamien PRX Energy 2, 030001 (2023) – Published 25 September 2023   Air-Sensitivity Study on LiNiO2 Layered Cathode Materials by Using Ab Initio Molecular Dynamics Simulations Xian-Qi Xu, Jun-Yan Chen, Jia-Hua Liu, Yi-Ning Jia, Chi Fang, Jun-Yu Jiao, Feng Pan, Jia-Xin Zheng, Yao Jiang, Bo Xu, and Chu-Ying Ouyang PRX Energy 2, 033001 (2023) – Published 6 July 2023 Using simulations, this study explores the atomic-scale mechanism of air sensitivity of a LiNiO2 cathode material; consequently, doping strategies are proposed to improve stability for lithium batteries.     Quantum Dynamics for Energetic Advantage in a Charge-Based Classical Full Adder João P. Moutinho, Marco Pezzutto, Sagar Silva Pratapsi, Francisco Ferreira da Silva, Silvano De Franceschi, Sougato Bose, António T. Costa, and Yasser Omar PRX Energy 2, 033002 (2023) – Published 12 July 2023 A proposal for quantum-based classical computation shows how approaches from quantum computing may enable energy-efficient classical information processing and highlights energy costs that currently limit this technology.     Geodesic Lower Bound of the Energy Consumption to Achieve Membrane Separation within Finite Time Jin-Fu Chen, Ruo-Xun Zhai, C. P. Sun, and Hui Dong PRX Energy 2, 033003 (2023) – Published 19 July 2023 Membrane technologies promise energy-efficient processes for separation of mixtures. The tradeoff between operation time and energy consumption posts constraint on the optimization of such processes. Here the authors establish an equivalence between optimizing the energy consumption within given operation time to finding the geodesic curve in a geometric space.     Thermal Contributions to the Local and Long-Range Structural Disorder in CH3NH3PbBr3 Nicholas J. Weadock, Cameron MacKeen, Xixi Qin, Louis Waquier, Yevgeny Rakita, Julian A. Vigil, Hemamala I. Karunadasa, Volker Blum, Michael F. Toney, and Frank Bridges PRX Energy 2, 033004 (2023) – Published 21 July 2023 A combination of experimental techniques and simulations show that thermally activated dynamics are the main component of structural disorder in lead halide perovskites, rather than static disorder.     Comparative Study of Magnetocaloric Properties for Gd3+ Compounds with Different Frustrated Lattice Geometries EliseAnne C. Koskelo, Paromita Mukherjee, Cheng Liu, Alice C. Sackville Hamilton, Harapan S. Ong, Claudio Castelnovo, M.E. Zhitomirsky, and Siân E. Dutton PRX Energy 2, 033005 (2023) – Published 31 July 2023 Using experiment and simulations, a comparison of four candidate magnetocaloric materials provides insight for the design of efficient refrigerant materials.     How Charge Carrier Exchange between Absorber and Contact Influences Time Constants in the Frequency Domain Response of Perovskite Solar Cells Sandheep Ravishankar, Zhifa Liu, Yueming Wang, Thomas Kirchartz, and Uwe Rau PRX Energy 2, 033006 (2023) – Published 2 August 2023 A model is developed to describe the frequency domain response of perovskite solar cells, with an emphasis on the role of transport layers. Application to experimental data identifies that measured time constants are limited by charge carrier extraction rather than recombination.     Revisiting and Modeling Power-Law Distributions in Empirical Outage Data of Power Systems Bálint Hartmann, Shengfeng Deng, Géza Ódor, and Jeffrey Kelling PRX Energy 2, 033007 (2023) – Published 4 August 2023 Toward mitigating large-scale power outages, connections are established between energy research and statistical-nonlinear physics to understand the emergence of pervasive heavy tails in outage statistics.     Transitions From Monotonicity to Chaos in Gas Mixture Dynamics in Pipeline Networks Luke S. Baker, Saif R. Kazi, and Anatoly Zlotnik PRX Energy 2, 033008 (2023) – Published 9 August 2023 With implications for hydrogen transport and decarbonization of gas and electricity networks, the blending of hydrogen with natural gas for transport via existing infrastructures is explored by computing transitions between monotonic, periodic, and chaotic responses to boundary conditions.     Discontinuous Jump Behavior of the Energy Conversion in Wind Energy Systems Pyei Phyo Lin, Matthias Wächter, M. Reza Rahimi Tabar, and Joachim Peinke PRX Energy 2, 033009 (2023) – Published 16 August 2023 The unpredictable and intermittent nature of wind and its interaction with wind turbines pose challenges for stable energy production; here, the development of stochastic analysis techniques leads to insight that can benefit wind turbine performance.     Coupling Microkinetics with Continuum Transport Models to Understand Electrochemical CO2 Reduction in Flow Reactors Nitish Govindarajan, Tiras Y. Lin, Thomas Roy, Christopher Hahn, and Joel B. Varley PRX Energy 2, 033010 (2023) – Published 21 August 2023 Using ab initio microkinetic simulations coupled with a two-dimensional continuum transport model, this study models electrochemical CO2 reduction in a flow reactor with spatial resolution of key reaction parameters.     Grain-Boundary-Activity Correlation for Electrocatalytic Oxygen Evolution in High-Entropy Alloys Tao Zhang, Niu Gao, Zheng-Jie Chen, Hui-Feng Zhao, Ya-Song Wang, Jun-Qing Yao, Jing Peng, Yuan-Miao Sun, Hai-Bin Yu, and Xin-Wang Liu PRX Energy 2, 033011 (2023) – Published 22 August 2023 Toward developing efficient electrocatalysts for the oxygen evolution reaction, the grain boundary density of high entropy alloys can be increased to enhance electrocatalytic activity.     Be2C5 Monolayer with Quasiplanar Pentacoordinate Carbon Atoms and Ultrahigh Energy Density as a Dirac Anode for Potassium-Ion Batteries Feilong Wang, Meiling Xu, Shuyi Lin, Jian Hao, Yanchao Wang, Hong Jian Zhao, and Yinwei Li PRX Energy 2, 033012 (2023) – Published 24 August 2023 Structure prediction methods and first-principles calculations are combined to propose a Dirac anode material for potassium ion batteries, namely a thermodynamically stable Be2C5 monolayer.     Rapid Optoelectronic Characterization of Semiconductors by Combining Bayesian Inference with Metropolis Sampling Calvin Fai, Charles J. Hages, and Anthony J.C. Ladd PRX Energy 2, 033013 (2023) – Published 1 September 2023 Extraction of material parameters from experimental time-resolved photoluminescence measurements can be problematic; here, a Bayesian inference approach, with Metropolis Monte Carlo sampling, is demonstrated to quickly and accurately infer essential optoelectronic parameters from the characterization measurements.     Phase-Field Computational Framework for Addressing Challenges in Solid-State Batteries Tammo K. Schwietert, Pierfrancesco Ombrini, Laura S. Ootes, Leon Oostrum, Victor Azizi, Daniel Cogswell, Juner Zhu, Martin Z. Bazant, Marnix Wagemaker, and Alexandros Vasileiadis PRX Energy 2, 033014 (2023) – Published 12 September 2023 Toward optimization of safe and sustainable solid-state batteries, a computational framework is developed for modeling of versatile solid-state systems.       American Physical Society: 1 Physics Ellipse, College Park, MD 20740 ©2023 American Physical Society | All rights reserved   You are receiving this email because you are subscribed to Table of Content alerts. If you no longer wish to receive these emails, please update your preferences.