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Conditional Generative Modeling for Amorphous Multi-Element Materials

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arXiv 2025年

作者： Li, Honglin Liu, Chuhao Guo, Yongfeng Luo, Xiaoshan Chen, Yijie Liu, Guangsheng Li, Yu Wang, Ruoyu Wang, Zhenyu Wu, Jianzhuo Ma, Cheng Xie, Zhuohang Lv, Jian Ding, Yufei Zhang, Huabin Luo, Jian Zhong, Zhicheng Li, Mufan Wang, Yanchao Li, Wan-Lu Key Laboratory of Material Simulation Methods and Software Ministry of Education College of Physics Jilin University Changchun China Aiiso Yufeng Li Family Department of Chemical and Nano Engineering University of California La Jolla San DiegoCA United States Institute of Molecular Engineering Plus College of Chemistry Fuzhou University Fuzhou China College of Chemistry and Molecular Engineering Peking University Beijing China School of Physics Nankai University Tianjin China Institute of Modern Physics Fudan University Shanghai China Program in Materials Science and Engineering University of California La Jolla San DiegoCA United States School of Artificial Intelligence and Data Science University of Science and Technology of China Hefei230026 China Suzhou Institute for Advanced Research University of Science and Technology of China Suzhou215123 China International Center of Future Science Jilin University Changchun China Department of Computer Science and Engineering University of California La Jolla San DiegoCA United States Center for Renewable Energy and Storage Technologies Physical Science and Engineering Division King Abdullah University of Science and Technology Thuwal Saudi Arabia Suzhou Lab Suzhou215123 China

Amorphous multi-element materials offer unprecedented tunability in composition and properties, yet their rational design remains challenging due to the lack of predictive structure-property relationships and the vast configurational space. Traditional modeling struggles to capture the intricate short-range order that dictates their stability and functionality. We here introduce ApolloX, a pioneering predictive framework for amorphous multi-element materials, establishing a new paradigm by integrating physics-informed generative modeling with particle swarm optimization, using chemical short-range order as an explicit constraint. By systematically navigating the disordered energy landscape, ApolloX enables the targeted design of thermodynamically stable amorphous configurations. It accurately predicts atomic-scale arrangements, including composition-driven metal clustering and amorphization trends, which are well-validated by experiments, while also guiding synthesis by leveraging sluggish diffusion to control elemental distribution and disorder. The resulting structural evolution, governed by composition, directly impacts catalytic performance, leading to improved activity and stability with increasing amorphization. This predictive-experimental synergy transforms the discovery of amorphous materials, unlocking new frontiers in catalysis, energy storage, and functional disordered systems. Copyright © 2025, The Authors. All rights reserved.

关键词： Amorphization

Computational Study of Ventral Ankle-Foot Orthoses During Stance Phase for Post-surgery Spinal Tuberculosis Rehabilitation 1st

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Computational Study of Ventral Ankle-Foot Orthoses During St...

1st International Conference on Electronics, Biomedical engineering, and Health Informatics, ICEBEHI 2020

作者： Putra, Alfian Pramudita Rahmatillah, Akif Pujiyanto Ain, Khusnul Rodiyah, Nur Khafidotur Pawana, I. Putu Alit Syahananta, Lolita Hapsari Dwi Dwiatma, Mohammad Rizki Hidayat, Arief Sofian Biomedical Engineering Study Program Department of Physics Faculty of Science and Technology Universitas Airlangga Surabaya60115 Indonesia Biomedical Signals and Systems Research Group Faculty of Science and Technology Universitas Airlangga Surabaya60115 Indonesia Department of Physics Faculty of Science and Technology Universitas Airlangga Surabaya60115 Indonesia Department of Physical Medicine and Rehabilitation Dr Soetomo General Academic Hospital Surabaya60286 Indonesia

ISBN: (纸本)9789813369252

Spinal Tuberculosis could cause abnormalities in the lower extremity, even after the surgery and can be treated with Ankle-Foot Orthoses (AFO). The patient with that condition has to stabilize their body because it tends to fall forward. Thus, a ventral AFO is needed to support them. This study aims to evaluate AFO design by using Finite Element Method (FEM) with two different thickness (2 and 4 mm). The material used was a Polyethylene Terephthalate (PET). Three subphases in the stance phase were simulated, namely initial contact, midstance, and terminal stance. The external force in the simulation was based on the patient’s weight (50 kg). The result showed that the highest stress was obtained from ventral AFO with a thickness of 2 mm at the terminal stance, 244.7 MPa. This value exceeded the Ultimate Tensile Strength (UTS) of PET which indicates the design would break. The ventral AFO with a thickness of 4 mm had lower stress than the UTS of PET. The strain of both designs was quite low with the maximum value of 0.019 from the ventral AFO with a thickness of 4 mm in the terminal stance. The deformation was also acceptable for both designs with the highest value of 39.67 mm from the ventral AFO with a thickness of 2 mm in the midstance. In conclusion, the ventral AFO with a thickness of 4 mm could be used for post-surgery spinal tuberculosis patient’s rehabilitation. © 2021, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

关键词： Patient rehabilitation

Out-of-equilibrium interactions and collective locomotion of colloidal spheres with squirming of nematoelastic multipoles

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arXiv 2023年

作者： Senyuk, Bohdan Wu, Jin-Sheng Smalyukh, Ivan I. Department of Physics University of Colorado BoulderCO United States Hiroshima University Higashi-Hiroshima Hiroshima Japan Materials Science and Engineering Program University of Colorado BoulderCO United States Renewable and Sustainable Energy Institute National Renewable Energy Laboratory University of Colorado BoulderCO United States

Many living and artificial systems show a similar emergent behavior and collective motions on different scales, starting from swarms of bacteria to synthetic active particles, herds of mammals and crowds of people. What all these systems often have in common is that new collective properties like flocking emerge from interactions between individual self-propelled or externally driven units. Such systems are naturally out-of-equilibrium and propel at the expense of consumed energy. Mimicking nature by making selfpropelled or externally driven particles and studying their individual and collective motility may allow for deeper understanding of physical underpinnings behind the collective motion of large groups of interacting objects or beings. Here, using a soft matter system of colloids immersed into a liquid crystal, we show that resulting so-called nematoelastic multipoles can be set into a bidirectional locomotion by external periodically oscillating electric fields. Out-of-equilibrium elastic interactions between such colloids lead to collective flock-like behaviors, which emerge from time-varying elasticity-mediated interactions between externally driven propelling particles. The repulsive elastic interactions in the equilibrium state can be turned into attractive interactions in the out-of-equilibrium state under applied electric fields. We probe this behavior at different number densities of colloidal particles and show that particles in a dense dispersion collectively select the same direction of a coherent motion due to elastic interactions between near neighbors. In our experimentally implemented design, their motion is highly ordered and without clustering or jamming often present in other colloidal transport systems, which is promising for technological and fundamental-science applications, like nano-cargo transport, out-of-equilibrium assembly and microrobotics. © 2023, CC BY.

关键词： Self assembly

Graph Neural Networks for Radiological/Nuclear Detection with Static Detector Networks

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Graph Neural Networks for Radiological/Nuclear Detection wit...

IEEE Symposium on Nuclear Science (NSS/MIC)

作者： M. D. Verlie D. T. Murnane A. Butko R. Cooper M. Kiran E. Rofors K. Vetter Department of Nuclear Engineering University of California Berkeley Berkeley California United Statesof America Applied Nuclear Physics Program Lawrence Berkeley National Laboratory (LBNL) Berkeley California United States of America Computational Research Division Lawrence Berkeley National Laboratory (LBNL) Berkeley California United States of America

To address the threat posed by the nefarious use of radiological/nuclear sources, there is a growing interest in deploying connected static detector networks in cities. Connected detector networks can have improved detection sensitivity over unconnected networks by using the correlations between detectors. We explore the use of graph neural networks (GNNs) to exploit such correlations in a minimal detector network of two nodes and one edge in downtown Chicago. We compare a GNN model with and without message passing, and find that the model with message passing performs significantly better (p = 0.03), suggesting that it is leveraging spatiotemporal relationships to improve detection performance. Future work includes assessing the performance of GNN models on larger detector networks and benchmarking them against existing algorithms.

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On the X-ray efficiency of the white dwarf pulsar candidate ZTF J190132.9+145808.7

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arXiv 2024年

作者： Bamba, Aya Terada, Yukikatsu Kashiyama, Kazumi Kisaka, Shota Minami, Takahiro Takahashi, Tadayuki Department of Physics Graduate School of Science The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-0033 Japan Research Center for the Early Universe School of Science The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-0033 Japan Trans-Scale Quantum Science Institute The University of Tokyo Tokyo113-0033 Japan Graduate School of Science and Engineering Saitama University 255 Shimo-Ohkubo Saitama Sakura338-8570 Japan Astronomical Institute Tohoku University Sendai980-8578 Japan Kavli Institute for the Physics and Mathematics of the Universe The University of Tokyo Kashiwa277-8583 Japan Physics Program Graduate School of Advanced Science and Engineering Hiroshima University Higashi-Hiroshima739-8526 Japan

Strongly magnetized, rapidly rotating massive white dwarfs (WDs) emerge as potential outcomes of double degenerate mergers. These WDs can act as sources of non-thermal emission and cosmic rays, gethering attention as WD pulsars. In this context, we studied the X-ray emissions from ZTF J190132.9+145808.7 (hereafter ZTF J1901+14), a notable massive isolated WD in the Galaxy, using the Chandra X-ray observatory. Our results showed 3.5σ level evidence of X-ray signals, although it is marginal. Under the assumption of a photon index of 2, we derived its intrinsic flux to be 2.3 (0.9–4.7) ×10−15 erg cm−2s−1 and luminosity 4.6 (2.0–9.5) ×1026 erg s−1 for a 0.5–7 keV band in the 90% confidence range, given its distance of 41 pc. We derived an X-ray efficiency (η) concerning the spin-down luminosity to be 0.012 (0.0022—0.074), a value comparable to that of ordinary neutron star pulsars. The inferred X-ray luminosity may be compatible with curvature radiation from sub-TeV electrons accelerated within open magnetic fields in the magnetosphere of ZTF J1901+14. Conducting more extensive X-ray observations is crucial to confirm whether ZTF J1901+14-like isolated WDs are also significant sources of X-rays and sub-TeV electron cosmic rays, similar to other WD pulsars in accreting systems. © 2024, CC BY-NC-ND.

关键词： White dwarfs

Structural, linear and nonlinear optical characterization of Ni and Al Co-Doped CdO semiconductor nanostructures for nonlinear optical device applications

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Materials Today: Proceedings 2021年 35卷 396-404页

作者： M. Banuprakash B. Abhishek Hrushikesh Acharya Raghavendra Bairy Shashidhara Bhat H. Vijeth M.S. Murari A. Jayarama Richard Pinto Department of PG Studies in Physics Alva’s College Moodabidri 574227 India Department of Physics NMAM Institute of Technology (Visvesvaraya Technological University Belagavi) Nitte Karkala 574110 India Department of Physics Mangalore University Mangalagangothri 574199 India DST PURSE Program Mangalore University Mangalagangothri 574199 India Department of Physics Alva’s Institute of Engineering and Technology Moodabidri 574227 India Department of Electronics and Communication Engineering Alva’s Institute of Engineering and Technology Moodabidri 574227 India

The effects of metallic doping (Ni and Al) on thin film CdO nanostructures have been investigated and their morphological, structural, linear and nonlinear optical properties have been studied. Thin films were grown using spray pyrolysis method with a substrate temperature of 300 °C for different Ni and Al doping concentrations (0, 1, 3, 5 and 10 wt%). Studies of films with Powder X-ray diffraction confirm the polycrystalline nature with the cubic crystal structure. The Scherer rule was employed to determine the crystallite size and found to be enhanced. The elemental analysis confirms the incorporation of Ni and Al into the host CdO matrix. The surface morphology was analysed using the Field Emission Scanning Electron Microscope and the grain size was found to be altered by increasing the doping content. To understand the characteristics of the defect state, open and closed aperture Z-scan measurement was performed using the DPSS continuous wave (532 nm) laser excitation and nonlinear absorption, refractive index and nonlinear susceptibility values of third order were calculated and found to be increasing with the increased concentration of the dopants. The encouraging findings of the nonlinear optical parameters with the increasing concentration of Ni and Al on CdO nanostructures indicate that doped films are a promising source for nonlinear device applications.

关键词： Ni-Al co-doped CdO thin films Spray pyrolysis Z-scan Surface morphology NLO properties Third order NLO

Ultra-Cold Cryogenic TEM with Liquid Helium and High Stability

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arXiv 2024年

作者： Rennich, Emily Sung, Suk Hyun Agarwal, Nishkarsh Gates, Maya Kerns, Robert Hovden, Robert Baggari, Ismail El The Rowland Institute at Harvard Harvard University CambridgeMA02142 United States Department of Mechanical Engineering University of Michigan Ann ArborMI48109 United States Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Michigan Center for Materials Char-acterization University of Michigan Ann ArborMI48109 United States Applied Physics Program University of Michigan Ann ArborMI48109 United States

Cryogenic transmission electron microscopy has revolutionized structural biology and materials science, but achieving temperatures below the boiling point of liquid nitrogen remains a long-standing aspiration. We introduce an ultra-cold liquid helium transmission electron microscope specimen holder, featuring continuous cryogen flow and vibration decoupling. This instrument is compatible with modern aberration-corrected microscopes and achieves sub-25 K base temperature, ±2 mK thermal stability over many hours, and atomic resolution—setting the stage for a new era of cryogenic electron microscopy. © 2024, CC BY.

关键词： High resolution transmission electron microscopy

Polarized Superradiance from CsPbBr3 Quantum Dot Superlattice with Controlled Inter-dot Electronic Coupling

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arXiv 2024年

作者： Luo, Lanyin Tang, Xueting Park, Junhee Wang, Chih-Wei Park, Mansoo Khurana, Mohit Singh, Ashutosh Cheon, Jinwoo Belyanin, Alexey Sokolov, Alexei V. Son, Dong Hee Department of Physics and Astronomy Texas A&M University College StationTX77843 United States Institute of Quantum Science and Engineering Texas A&M University College StationTX77843 United States Department of Chemistry Texas A&M University College StationTX77843 United States Center for Nanomedicine Institute for Basic Science and Graduate Program of Nano Biomedical Engineering Advanced Science Institute Yonsei University Seoul03722 Korea Republic of

Cooperative emission of photons from an ensemble of quantum dots (QDs) as superradiance can arise from the electronically coupled QDs with a coherent emitting excited state. This contrasts with superfluorescence (Dicke superradiance), where the cooperative photon emission occurs via a spontaneous buildup of coherence in an ensemble of incoherently excited QDs via their coupling to a common radiation mode. While superfluorescence has been observed in perovskite QD systems, reports of superradiance from the electronically coupled ensemble of perovskite QDs are rare. Here, we demonstrate the generation of polarized superradiance with a very narrow linewidth ( © 2024, CC BY-NC-ND.

关键词： Perovskite

Radiotherapy delivery error detection with electronic portal imaging device (EPID)-based in vivo dosimetry

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Chinese Medical Journal 2023年第8期136卷 998-1000页

作者： Xueying Yang Lisheng Geng David Huang Kaiwen Li Hongqing Zhuang Jing Cai Ruijie Yang School of Physics Beihang UniversityBeijing 102206China Department of Radiation Oncology Peking University Third HospitalBeijing 100191China Beijing Advanced Innovation Center for Big Data-Based Precision Medicine School of Medicine and EngineeringBeihang UniversityBeijing 100191China Medical Physics Graduate Program Duke Kunshan UniversityKunshanJiangsu 215316China Medical Management Department CAS Ion Medical Technology Co.Ltd.Beijing 100190China Department of Health Technology and Informatics The Hong Kong Polytechnic UniversityHong Kong 999077China

To the Editor:Due to the highly complex nature of intensity-modulated radiotherapy(IMRT)planning and delivery,patient specific quality assurance(PSQA)should be implemented to assure the reliability of treatment delive... 详细信息

关键词： IMRT treatment vivo