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arXiv 2024年

作者： Hillberry, Logan E. Piroli, Lorenzo Vernier, Eric Halpern, Nicole Yunger Prosen, Tomaž Carr, Lincoln D. Department of Physics The University of Texas at Austin AustinTX78712 United States Dipartimento di Fisica e Astronomia Università di Bologna INFN Sezione di Bologna via Irnerio 46 BolognaI-40126 Italy Laboratoire de Probabilités Statistique et Modélisation CNRS Université Paris Cité Sorbonne Université Paris France Joint Center for Quantum Information and Computer Science NIST University of Maryland College ParkMD20742 United States Institute for Physical Science and Technology University of Maryland College ParkMD20742 United States Faculty of Mathematics and Physics University of Ljubljana Jadranska 19 LjubljanaSI-1000 Slovenia Institute of Mathematics Physics and Mechanics Jadranska 19 LjubljanaSI-1000 Slovenia Quantum Engineering Program Colorado School of Mines GoldenCO80401 United States Department of Physics Colorado School of Mines GoldenCO80401 United States Department of Applied Mathematics and Statistics Colorado School of Mines GoldenCO80401 United States

Goldilocks quantum cellular automata (QCA) have been simulated on quantum hardware and produce emergent small-world correlation networks. In Goldilocks QCA, a single-qubit unitary is applied to each qubit in a one-dimensional chain subject to a balance constraint: a qubit is updated if its neighbors are in opposite basis states. Here, we prove that a subclass of Goldilocks QCA—including the one implemented experimentally—map onto free fermions and therefore can be classically simulated efficiently. We support this claim with two independent proofs, one involving a Jordan–Wigner transformation and one mapping the integrable six-vertex model to QCA. We compute local conserved quantities of these QCA and predict experimentally measurable expectation values. These calculations can be applied to test large digital quantum computers against known solutions. In contrast, typical Goldilocks QCA have equilibration properties and quasienergy-level statistics that suggest nonintegrability. Still, the latter QCA conserve one quantity useful for error mitigation. Our work provides a parametric quantum circuit with tunable integrability properties with which to test quantum hardware. © 2024, CC BY.

关键词： Qubits

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Cold atmospheric plasma-enabled platelet vesicle incorporated iron oxide nano-propellers for thrombolysis

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Materials Today Bio 2023年 23卷 100876页

作者： Jheng, Pei-Ru Chiang, Chia-Che Kang, Jiunn-Horng Fan, Yu-Jui Wu, Kevin C.-W. Chen, Yan-Ting Liang, Jia-Wei Bolouki, Nima Lee, Jyh-Wei Hsieh, Jang-Hsing Chuang, Er-Yuan Graduate Institute of Nanomedicine and Medical Engineering Graduate Institute of Biomedical Materials and Tissue Engineering Institute of Biomedical Optomechatronics International Ph.D. Program in Biomedical Engineering School of Biomedical Engineering College of Biomedical Engineering Professional Master Program in Artificial Intelligence in Medicine College of Medicine Taipei Medical University Taipei11031 Taiwan Department of Physical Medicine and Rehabilitation Taipei Medical University Hospital Taipei Taiwan Institute of Biomedical Engineering & Nanomedicine National Health Research Institute Keyan Road Zhunan Miaoli City350 Taiwan Department of Chemical Engineering National Taiwan University No.1 Sec. 4 Roosevelt Rd Taipei10617 Taiwan Department of Plasma Physics and Technology Faculty of Science Masaryk University Brno Czech Republic Center for Plasma and Thin Film Technologies Ming Chi University of Technology New Taipei City Taiwan Department of Materials Engineering Ming Chi University of Technology New Taipei City Taiwan Cell Physiology and Molecular Image Research Center Taipei Medical University-Wan Fang Hospital Taipei11696 Taiwan

A new approach to treating vascular blockages has been developed to overcome the limitations of current thrombolytic therapies. This approach involves biosafety and multimodal plasma-derived theranostic platelet vesicle incorporating iron oxide constructed nano-propellers platformed technology that possesses fluorescent and magnetic features and manifold thrombus targeting modes. The platform is capable of being guided and visualized remotely to specifically target thrombi, and it can be activated using near-infrared phototherapy along with an actuated magnet for magnetotherapy. In a murine model of thrombus lesion, this proposed multimodal approach showed an approximately 80 % reduction in thrombus residues. Moreover, the new strategy not only improves thrombolysis but also boosts the rate of lysis, making it a promising candidate for time-sensitive thrombolytic therapy. © 2023 The Authors

关键词： Infrared devices

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Interaction of Hydrogen with Ceria: Hydroxylation, Reduction, and Hydride Formation on the Surface and in the Bulk

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Chemistry - A European Journal 2021年第16期27卷 5268-5276页

作者： Li, Zhaorui Werner, Kristin Chen, Lu Jia, Aiping Qian, Kun Zhong, Jian-Qiang You, Rui Wu, Lihui Zhang, Liyuan Pan, Haibin Wu, Xin-Ping Gong, Xue-Qing Shaikhutdinov, Shamil Huang, Weixin Freund, Hans-Joachim Hefei National Laboratory for Physical Sciences at Microscale Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics University of Science and Technology of China Hefei 230026 China Fritz-Haber-Institut der Max-Planck Gesellschaft Faradayweg 4–6 Berlin 14195 Germany Key Laboratory for Advanced Materials and Joint International Research Laboratory for Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research Center Centre for Computational Chemistry and Research Institute of Industrial Catalysis School of Chemistry and Molecular Engineering East China University of Science and Technology 130 Meilong Road Shanghai 200237 China Key Laboratory of the Ministry of Education for Advanced Catalysis Materials Institute of Physical Chemistry Zhejiang Normal University Jinhua 321004 China National Synchrotron Radiation Laboratory University of Science and Technology of China Hefei 230029 China Dalian National Laboratory for Clean Energy Dalian 116023 China

The study reports the first attempt to address the interplay between surface and bulk in hydride formation in ceria (CeO2) by combining experiment, using surface sensitive and bulk sensitive spectroscopic techniques o... 详细信息

The study reports the first attempt to address the interplay between surface and bulk in hydride formation in ceria (CeO₂) by combining experiment, using surface sensitive and bulk sensitive spectroscopic techniques on the two sample systems, i.e., CeO₂(111) thin films and CeO₂ powders, and theoretical calculations of CeO₂(111) surfaces with oxygen vacancies (O_v) at the surface and in the bulk. We show that, on a stoichiometric CeO₂(111) surface, H₂ dissociates and forms surface hydroxyls (OH). On the pre-reduced CeO_2−x samples, both films and powders, hydroxyls and hydrides (Ce−H) are formed on the surface as well as in the bulk, accompanied by the Ce³⁺ ↔ Ce⁴⁺ redox reaction. As the O_v concentration increases, hydroxyl is destabilized and hydride becomes more stable. Surface hydroxyl is more stable than bulk hydroxyl, whereas bulk hydride is more stable than surface hydride. The surface hydride formation is the kinetically favorable process at relatively low temperatures, and the resulting surface hydride may diffuse into the bulk region and be stabilized therein. At higher temperatures, surface hydroxyls can react to produce water and create additional oxygen vacancies, increasing its concentration, which controls the H₂/CeO₂ interaction. The results demonstrate a large diversity of reaction pathways, which have to be taken into account for better understanding of reactivity of ceria-based catalysts in a hydrogen-rich atmosphere. © 2020 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH

关键词： ceria density functional calculations hydride hydrogenation surface structure

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Pressure-Strain Interaction as the Energy Dissipation Estimate in Collisionless Plasma

arXiv

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arXiv 2022年

作者： Yang, Yan Matthaeus, W.H. Roy, Sohom Roytershteyn, Vadim Parashar, Tulasi Bandyopadhyay, Riddhi Wan, Minping Department of Physics and Astronomy University of Delaware NewarkDE19716 United States Southern University of Science and Technology Guangdong Shenzhen518055 China Space Science Institute BoulderCO80301 United States School of Chemical and Physical Sciences Victoria University of Wellington Wellington6012 New Zealand Department of Astrophysical Sciences Princeton University PrincetonNJ08544 United States Guangdong Provincial Key Laboratory of Turbulence Research and Applications Department of Mechanics and Aerospace Engineering Southern University of Science and Technology Guangdong Shenzhen518055 China

The dissipative mechanism in weakly collisional plasma is a topic that pervades decades of studies without a consensus solution. We compare several energy dissipation estimates based on energy transfer processes in plasma turbulence and provide justification for the pressure-strain interaction as a direct estimate of the energy dissipation rate. The global and scale-by-scale energy balances are examined in 2.5D and 3D kinetic simulations. We show that the global internal energy increase and the temperature enhancement of each species are directly tracked by the pressure-strain interaction. The incompressive part of the pressure-strain interaction dominates over its compressive part in all simulations considered. The scale-by-scale energy balance is quantified by scale filtered Vlasov-Maxwell equations, a kinetic plasma approach, and the lag dependent von Kármán-Howarth equation, an approach based on fluid models. We find that the energy balance is exactly satisfied across all scales, but the lack of a well-defined inertial range influences the distribution of the energy budget among different terms in the inertial range. Therefore, the widespread use of the Yaglom relation to estimating dissipation rate is questionable in some cases, especially when the scale separation in the system is not clearly defined. In contrast, the pressure-strain interaction balances exactly the dissipation rate at kinetic scales regardless of the scale separation. Copyright © 2022, The Authors. All rights reserved.

关键词： Energy dissipation

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Direct insulator to relativistic quantum Hall transition in graphene

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physical Review B 2023年第20期108卷 205304-205304页

作者： Ching-Chen Yeh Pin-Chi Liao Dinesh K. Patel Wei-Chen Lin Siang-Chi Wang Albert F. Rigosi Randolph E. Elmquist Chi-Te Liang Department of Physics National Taiwan University Taipei 106 Taiwan Physical Measurement Laboratory National Institute of Standards and Technology (NIST) Gaithersburg Maryland 20899 USA Physikalisch-Technische Bundesanstalt (PTB) Bundesallee 100 Braunschweig 38116 Germany Taiwan International Graduate Program Academia Sinica Taipei 115 Taiwan Department of Engineering and System Science National Tsing Hua University Hsinchu 300 Taiwan Center for Quantum Science and Engineering National Taiwan University Taipei 106 Taiwan Taiwan Consortium of Emergent Crystalline Materials (TCECM) Taipei 106 Taiwan

We present evidence of the direct insulator-quantum Hall transition in monolayer epitaxial graphene, a genuine two-dimensional (2D) system. We studied the transition from an insulating state to a quantum Hall state at a high Landau level filling factor ν=6>3 and the plateau-plateau transition from ν=6 to ν=2. Using scaling theory, the critical exponent κ was determined to be 0.41±0.02 for the direct insulator-quantum Hall transition. This closely aligns with κ=0.42±0.02 from the ν=6 to ν=2 quantum Hall plateau-plateau transition. These findings suggest that the two transitions may belong to the same universality class. While similar transitions have been explored in conventional two-dimensional charge systems, our study provides valuable insights into a truly 2D system, deepening our understanding of these transitions.

关键词： Electrical properties Fermions Landau levels Graphene Hall bar Resistivity measurements

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Tuning crystal structure of potassium dihydrogen phosphate at ambient conditions

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physical Review Materials 2021年第10期5卷 103401-103401页

作者： Yufeng Zhang Huang Huang Yile Li Wei Liu Jie Jiang Kai Guo Ruobing Yi Ziqi Fei Xue-ao Zhang Rui Mu Xing Liu Liang Chen Haiping Fang College of Physical Science and Technology Xiamen University Xiamen 361005 China Department of Optical Engineering Zhejiang Provincial Key Laboratory of Chemical Utilization of Forestry Biomass Zhejiang A&F University Hangzhou 311300 China Shanghai Institute of Applied Physics Chinese Academy of Sciences Shanghai 201800 China Jiujiang Research Institute of Xiamen University Jiujiang 332105 China School of Aerospace Engineering Xiamen University Xiamen 361102 China Shanghai Applied Radiation Institute Shanghai University Shanghai 200444 China Department of Physics East China University of Science and Technology Shanghai 200237 China

At ambient conditions, potassium dihydrogen phosphate (KDP) usually exists in tetragonal structure, and only transforms to monoclinic structure at a temperature around 503 K. In this study, stable monoclinic KDP is developed at room temperature using a mixture of graphene oxides and unsaturated KDP solution. Furthermore, a reversible phase transition between monoclinic and tetragonal structure is observed by tuning the distance between graphene oxide layers. The first-principles calculation suggests that the tetragonal structure is more energetically favorable when KDP is sandwiched by two graphitic surfaces with a large interlayer distance, whereas the monoclinic structure is more stable with a small interlayer distance. This is attributed to the interaction between K+ cations and π electrons in the graphitic surface, which distorts the local structural configurations. The increase of interaction strength with decreasing interlayer distance not only reduces the crystal-liquid interfacial free energy, which promotes the formation of the monoclinic structure in unsaturated solution, but also stimulates transformation of existing tetragonal KDP to monoclinic structure. The observations shed light on the nucleation mechanism for crystal structure that is usually infeasible and unstable at ambient conditions, and provide an avenue to tune crystal structures for a wide range of metal salts.

关键词： Crystal structure Phase transitions Graphene

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Isostructural metal-insulator transition driven by dimensional-crossover in SrIrO3 heterostructures

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physical Review Materials 2022年第3期6卷 034404-034404页

作者： Shuai Kong Lei Li Zengxing Lu Jiatai Feng Xuan Zheng Pengbo Song You-guo Shi Yumei Wang Binghui Ge Katharina Rolfs Ekaterina Pomjakushina Thorsten Schmitt Nicholas C. Plumb Ming Shi Zhicheng Zhong Milan Radovic Zhiming Wang Run-Wei Li Key Laboratory of Magnetic Materials and Devices Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo 315201 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo 315201 China Department of Chemical and Environmental Engineering The University of Nottingham Ningbo 315100 China Institute of Physics Chinese Academy of Sciences Beijing 100190 China Institutes of Physical Science and Information Technology Anhui University Hefei 230601 China Laboratory for Multiscale Materials Experiments Paul Scherrer Institut CH-5232 Villigen PSI Switzerland Swiss Light Source Paul Scherrer Institut CH-5232 Villigen PSI Switzerland SwissFEL Paul Scherrer Institut CH-5232 Villigen PSI Switzerland

Dimensionality reduction induced metal-insulator transitions in oxide heterostructures are usually coupled with structural and magnetic phase transitions, which complicate the interpretation of the underlying physics. Therefore, achieving isostructural MIT is of great importance for fundamental physics and even more for applications. Here, we report an isostructural metal-insulator transition driven by dimensional-crossover in spin-orbital coupled SrIrO3 films. By using in situ pulsed laser deposition and angle-resolved photoemission spectroscopy, we synthesized and investigated the electronic structure of SrIrO3 ultrathin films with atomic-layer precision. Through inserting orthorhombic CaTiO3 buffer layers, combined low-energy electron diffraction measurements and first-principles density functional theory calculations show that the crystal structure of SrIrO3 films remains bulklike with similar oxygen octahedra rotation and tilting when approaching the ultrathin limit. We observe that a dimensional-crossover metal-insulator transition occurs in isostructural SrIrO3 films. Intriguingly, we find the bandwidth of Jeff=3/2 states reduces with lowering the dimensionality and drives the metal-insulator transition. Our results establish a bandwidth controlled metal-insulator transition in the isostructural SrIrO3 thin films.

关键词： Electronic structure Surface & interfacial phenomena

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Chemisorption Induced Formation of Biphenylene Dimer on Surfaces

arXiv

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arXiv 2023年

作者： Zeng, Zhiwen Guo, Dezhou Wang, Tao Chen, Qifan Matěj, Adam Huang, Jianmin Han, Dong Xu, Qian Zhao, Aidi Jelínek, Pavel de Oteyza, Dimas G McEwen, Jean-Sabin Zhu, Junfa National Synchrotron Radiation Laboratory Department of Chemical Physics Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes University of Science and Technology of China Hefei230029 China The Gene & Linda Voiland School of Chemical Engineering and Bioengineering Washington State University PullmanWA99164 United States Donostia International Physics Center San Sebastián20018 Spain Centro de Fisica de Materiales CFM/MPC CSIC-UPV/EHU San Sebastián20018 Spain Institute of Physics The Czech Academy of Sciences Cukrovarnická 10 Prague 616200 Czech Republic School of Physical Science and Technology ShanghaiTech University Shanghai201210 China Ikerbasque Basque Foundation for Science Bilbao48013 Spain Institute for Integrated Catalysis Pacific Northwest National Laboratory RichlandWA99352 United States Department of Physics and Astronomy Washington State University PullmanWA99164 United States Department of Chemistry Washington State University PullmanWA99164 United States Department of Biological Systems Engineering Washington State University PullmanWA99164 United States

We report an example that demonstrates the clear interdependence between surface-supported reactions and molecular adsorption configurations. Two biphenyl-based molecules with two and four bromine substituents, i.e. 2,2’-dibromo-biphenyl (DBBP) and 2,2’,6,6’-tetrabromo-1,1'-biphenyl (TBBP), show completely different reaction pathways on a Ag(111) surface, leading to the selective formation of dibenzo[e,l]pyrene and biphenylene dimer, respectively. By combining low-temperature scanning tunneling microscopy, synchrotron radiation photoemission spectroscopy, and density functional theory calculations, we unravel the underlying reaction mechanism. After debromination, a bi-radical biphenyl can be stabilized by surface Ag adatoms, while a four-radical biphenyl undergoes spontaneous intramolecular annulation due to its extreme instability on Ag(111). Such different chemisorption-induced precursor states between DBBP and TBBP consequently lead to different reaction pathways after further annealing. In addition, using bond-resolving scanning tunneling microscopy and scanning tunneling spectroscopy, we determine the bond length alternation of biphenylene dimer product with atomic precision, which contains four-, six-, and eight-membered rings. The four-membered ring units turn out to be radialene structures. © 2023, CC BY.

关键词： Dimers

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Fabrication of energetic semiconductor Bridge with high efficiency, accuracy and low cost by 3D direct writing

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Defence technology 2025年

作者： Da, Yongqi Zhang, Jiangtao Li, Fuwei Zhou, Yuxuan Xu, Jianbing Ye, Yinghua Shen, Ruiqi Department of Applied Chemistry School of Chemistry and Chemical Engineering Nanjing University of Science and Technology Nanjing210094 China Science and Technology on Applied Physical Chemistry Laboratory Shaanxi Applied Physics-Chemistry Research Institute Xi'an710061 China Micro-Nano Energetic Devices Key Laboratory of MIIT Nanjing210094 China Institute of Space Propulsion Nanjing University of Science and Technology Nanjing210094 China Sichuan Aerospace Chuannan Initiating Explosive Technology Limited luzhou646000 China

Enhancing the output capacity of semiconductor bridge (SCB) through the application of composite nano-energetic films is a subject of wide concern. Furthermore, improving the safety, reliability, and production efficiency of energetic semiconductor bridge (ESCB) is the primary focus for large-scale engineering applications in the future. Here, the Al/CuO nano-film ESCB was efficiently fabricated using 3D direct writing. The electrostatic safety of the film is enhanced by precisely adjusting the particle size of Al, while ensuring that the SCB can initiate the film with small energy. The burst characteristics of SCB/ESCB were thoroughly investigated by employing a 100 μF tantalum capacitor to induce SCB and ESCB under an intense voltage gradient. The solid-state heating process of both SCB and ESCB was analyzed with multi physical simulation (MPS). The experimental results demonstrate that the critical burst time of both SCB and ESCB decreases with increasing voltage. Under the same voltage, the critical burst time of ESCB is longer than that of SCB, primarily due to differences in the melting to vaporization stage. The MPS results indicate that the highest temperature is observed at the V-shaped corner of SCB. Due to the thermal contact resistance between SCB and the film, heat conduction becomes more concentrated in the central region of the bridge, resulting in a faster solid-state heating process for ESCB compared to SCB. The results of the gap ignition experiments indicate that at a 19 mm gap, an ESCB with a film mass of 10 mg can ignite nickel hydrazine nitrate (NHN) and cyclotrimethylenetrinitramine (RDX). This suggests that thermite ESCB can serve as a novel, safe, and reliable energy exchange element and initiator in large-scale engineering applications. © 2025 China Ordnance Society

关键词： Thermal Engineering

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General-purpose machine-learned potential for 16 elemental metals and their alloys

arXiv

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arXiv 2023年

作者： Song, Keke Zhao, Rui Liu, Jiahui Wang, Yanzhou Lindgren, Eric Wang, Yong Chen, Shunda Xu, Ke Liang, Ting Ying, Penghua Xu, Nan Zhao, Zhiqiang Shi, Jiuyang Wang, Junjie Lyu, Shuang Zeng, Zezhu Liang, Shirong Dong, Haikuan Sun, Ligang Chen, Yue Zhang, Zhuhua Guo, Wanlin Qian, Ping Sun, Jian Erhart, Paul Ala-Nissila, Tapio Su, Yanjing Fan, Zheyong Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology Beijing Beijing100083 China School of Materials Science and Engineering Hunan University Changsha410082 China MSP group QTF Centre of Excellence Department of Applied Physics Aalto University P.O. Box 15600 Aalto EspooFI-00076 Finland Chalmers University of Technology Department of Physics Gothenburg41926 Sweden National Laboratory of Solid State Microstructures School of Physics Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210093 China Department of Civil and Environmental Engineering George Washington University WashingtonDC20052 United States Department of Electronic Engineering and Materials Science and Technology Research Center The Chinese University of Hong Kong N.T. Shatin999077 Hong Kong Department of Physical Chemistry School of Chemistry Tel Aviv University Tel Aviv6997801 Israel Institute of Zhejiang University-Quzhou Quzhou324000 China College of Chemical and Biological Engineering Zhejiang University Hangzhou310027 China State Key Laboratory of Mechanics and Control of Mechanical Structures Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education Institute for Frontier Science Nanjing University of Aeronautics and Astronautics Nanjing210016 China Department of Mechanical Engineering The University of Hong Kong Pokfulam Road Hong Kong School of Science Harbin Institute of Technology Shenzhen518055 China College of Physical Science and Technology Bohai University Jinzhou121013 China Interdisciplinary Centre for Mathematical Modelling Department of Mathematical Sciences Loughborough University Leicestershire LoughboroughLE11 3TU United Kingdom

Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a unified general-purpose MLP for numerous elements, demonstrated through a model (UNEP-v1) for 16 elemental metals and their alloys. To achieve a complete representation of the chemical space, we show, via principal component analysis and diverse test datasets, that employing one-component and two-component systems suffices. Our unified UNEP-v1 model exhibits superior performance across various physical properties compared to a widely used embedded-atom method potential, while maintaining remarkable efficiency. We demonstrate our approach's effectiveness through reproducing experimentally observed chemical order and stable phases, and large-scale simulations of plasticity and primary radiation damage in MoTaVW alloys. This work represents a significant leap towards a unified general-purpose MLP encompassing the periodic table, with profound implications for materials science. Copyright © 2023, The Authors. All rights reserved.

关键词： Radiation damage

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