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arXiv 2018年

作者： Treado, John D. Mei, Zhe Regan, Lynne O'Hern, Corey S. Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Integrated Graduate Program in Physical & Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Molecular Biophysics & Biochemistry Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States

Dense packing of hydrophobic residues in the cores of globular proteins determines their stability. Recently, we have shown that protein cores possess packing fraction φ ≈ 0.56, which is the same as dense, random packing of amino acid-shaped particles. In this article, we compare the structural properties of protein cores and jammed packings of amino acid-shaped particles in much greater depth by measuring their local and connected void regions. We find that the distributions of surface Voronoi cell volumes and local porosities obey similar statistics in both systems. We also measure the probability that accessible, connected void regions percolate as a function of the size of a spherical probe particle and show that both systems possess the same critical probe size. By measuring the critical exponent τ that characterizes the size distribution of connected void clusters at the onset of percolation, we show that void percolation in packings of amino acid-shaped particles and protein cores belong to the same universality class, which is different from that for void percolation in jammed sphere packings. We propose that the connected void regions of proteins are a defining feature of proteins and can be used to differentiate experimentally observed proteins from decoy structures that are generated using computational protein design software. This work emphasizes that jammed packings of amino acid-shaped particles can serve as structural and mechanical analogs of protein cores, and could therefore be useful in modeling the response of protein cores to cavity-expanding and -reducing mutations. Copyright © 2018, The Authors. All rights reserved.

关键词： Amino acids

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On the Yearly Performance of a Bifacial PV Module in Central Anatolia - Turkey 5

On the Yearly Performance of a Bifacial PV Module in Central...

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5th International Renewable and Sustainable Energy Conference, IRSEC 2017

作者： Özden, Talat Turan, Raşit Aklnoǧlu, Bülent Gültekin Department of Electrical and Electronics Engineering Gumüshane University Gumushane29100 Turkey Ankara06800 Turkey Department of Physics Faculty of Arts and Sciences Middle East Technical University METU Ankara06800 Turkey Earth System Science Program Graduate School of Natural and Applied Sciences METU Ankara06800 Turkey

ISBN: (纸本)9781538628478

With the tremendous increase in the photovoltaic (PV) power plants world-wide remarkable decreases in their installation prices per watt are attained mainly due to economic scale effect. This brings questioning to increase their energy yields by considering any possible way like fabricating bifacial solar modules. Present study is on the performance analysis of a bifacial PV module using one-year outdoor testing results in Ankara-Turkey. The module performed very well and reached a specific yield value of 1750 kWh/kWp. This value for Central Anatolia region is well above the values predicted (and suggested) by the local authorities. The efficiency and performance ratio variation with respect to ambient and module temperature are obtained. The calculated dependence of efficiency on the module temperature is found to be η=-0.073Tmod+18.05, and the maximum measured module temperature is about 70 °C. The results show that the bifacial modules have the potential to replace the mono facial modules that are now dominating the PV market. © 2017 IEEE.

关键词： Solar energy

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Local-order metric for condensed-phase environments

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Physical Review B 2018年第6期97卷 064105-064105页

作者： Fausto Martelli Hsin-Yu Ko Erdal C. Oğuz Roberto Car Department of Chemistry Princeton University Princeton New Jersey 08544 USA Institut für Theoretische Physik II Heinrich-Heine-Universität D-40225 Düsseldorf Germany Department of Physics Princeton University Princeton New Jersey 08544 USA Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

We introduce a local order metric (LOM) that measures the degree of order in the neighborhood of an atomic or molecular site in a condensed medium. The LOM maximizes the overlap between the spatial distribution of sites belonging to that neighborhood and the corresponding distribution in a suitable reference system. The LOM takes a value tending to zero for completely disordered environments and tending to one for environments that perfectly match the reference. The site-averaged LOM and its standard deviation define two scalar order parameters, S and δS, that characterize with excellent resolution crystals, liquids, and amorphous materials. We show with molecular dynamics simulations that S, δS, and the LOM provide very insightful information in the study of structural transformations, such as those occurring when ice spontaneously nucleates from supercooled water or when a supercooled water sample becomes amorphous upon progressive cooling.

关键词： Glass transition Nucleation Order parameters Phase transitions

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A metasurface-inspired focusing collector for concentrated solar power applications

A metasurface-inspired focusing collector for concentrated s...

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Frontiers in Optics, FIO 2018

作者： Ding, Qing Barna, Shama Jacobs, Kyle Choubal, Aakash Mensing, Glennys Zhang, Zhong Yamada, Kaito Tirawat, Robert Kincaid, Nicholas Zhu, Guangdong Wendelin, Tim Guo, L. Jay Ferreira, Placid Toussaint, Kimani C. University of Illinois at Urbana-Champaign UrbanaIL61801 United States Department of Electrical and Computer Engineering University of Illinois at Urbana-Champaign UrbanaIL61801 United States Department of Mechanical Science and Engineering University of Illinois at Urbana-Champaign UrbanaIL61801 United States Department of Electrical Engineering and Computer Science University of Michigan Ann ArborMI48109-2102 United States Applied Physics Program University of Michigan Ann ArborMI48109 United States National Renewable Energy Lab. GoldenCO80401 United States Solar Dynamics LLC United States Department of Bioengineering University of Illinois at Urbana-Champaign UrbanaIL61801 United States

We present a simple metasurface-inspired planar focusing collector for concentrated solar power. Fabrication is achieved using two-photon lithography, and subsequent nanoimprint lithography tests for scalability. Opti... 详细信息

ISBN: (纸本)9781943580460

关键词： Solar energy

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Polycrystalline ZrTe5 Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

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Physical Review applied 2018年第1期9卷 014025-014025页

作者： Samuel A. Miller Ian Witting Umut Aydemir Lintao Peng Alexander J. E. Rettie Prashun Gorai Duck Young Chung Mercouri G. Kanatzidis Matthew Grayson Vladan Stevanović Eric S. Toberer G. Jeffrey Snyder Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208 USA Department of Chemistry Koç University Sariyer Istanbul 34450 Turkey Applied Physics Graduate Program Northwestern University Evanston Illinois 60208 USA Materials Science Division Argonne National Laboratory Argonne Illinois 60439 USA National Renewable Energy Laboratory Golden Colorado 80401 USA Department of Metallurgical and Materials Engineering Colorado School of Mines Golden Colorado 80401 USA Department of Chemistry Northwestern University Evanston Illinois 60208 USA Department of Electrical Engineering and Computer Science Northwestern University Evanston Illinois 60208 USA Department of Physics Colorado School of Mines Golden Colorado 80401 USA

The transition-metal pentatellurides HfTe5 and ZrTe5 have been studied for their exotic transport properties with much debate over the transport mechanism, band gap, and cause of the resistivity behavior, including a large low-temperature resistivity peak. Single crystals grown by the chemical-vapor-transport method have shown an n−p transition of the Seebeck coefficient at the same temperature as a peak in the resistivity. We show that behavior similar to that of single crystals can be observed in iodine-doped polycrystalline samples but that undoped polycrystalline samples exhibit drastically different properties: they are p type over the entire temperature range. Additionally, the thermal conductivity for polycrystalline samples is much lower, 1.5 Wm−1 K−1, than previously reported for single crystals. It is found that the polycrystalline ZrTe5 system can be modeled as a simple semiconductor with conduction and valence bands both contributing to transport, separated by a band gap of 20 meV. This model demonstrates to first order that a simple two-band model can explain the transition from n- to p-type behavior and the cause of the anomalous resistivity peak. Combined with the experimental data, the two-band model shows that carrier concentration variation is responsible for differences in behavior between samples. Using the two-band model, the thermoelectric performance at different doping levels is predicted, finding zT=0.2 and 0.1 for p and n type, respectively, at 300 K, and zT=0.23 and 0.32 for p and n type at 600 K. Given the reasonably high zT that is comparable in magnitude for both n and p type, a thermoelectric device with a single compound used for both legs is feasible.

关键词： Band gap Charge density waves Hall effect Semimetals Spin-orbit coupling Thermoelectric effects Chalcogenides Semiconductor compounds

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Classical many-particle systems with unique disordered ground states

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Physical Review E 2017年第4期96卷 042146-042146页

作者： G. Zhang F. H. Stillinger S. Torquato Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Classical ground states (global energy-minimizing configurations) of many-particle systems are typically unique crystalline structures, implying zero enumeration entropy of distinct patterns (aside from trivial symmetry operations). By contrast, the few previously known disordered classical ground states of many-particle systems are all high-entropy (highly degenerate) states. Here we show computationally that our recently proposed “perfect-glass” many-particle model [Sci. Rep. 6, 36963 (2016)] possesses disordered classical ground states with a zero entropy: a highly counterintuitive situation . For all of the system sizes, parameters, and space dimensions that we have numerically investigated, the disordered ground states are unique such that they can always be superposed onto each other or their mirror image. At low energies, the density of states obtained from simulations matches those calculated from the harmonic approximation near a single ground state, further confirming ground-state uniqueness. Our discovery provides singular examples in which entropy and disorder are at odds with one another. The zero-entropy ground states provide a unique perspective on the celebrated Kauzmann-entropy crisis in which the extrapolated entropy of a supercooled liquid drops below that of the crystal. We expect that our disordered unique patterns to be of value in fields beyond glass physics, including applications in cryptography as pseudorandom functions with tunable computational complexity.

关键词： Nonequilibrium statistical mechanics Pattern formation

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Electronic Charge Transport: Breakdown of the Small‐Polaron Hopping Model in Higher‐Order Spinels (Adv. Mater. 49/2020)

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Advanced Materials 2020年第49期32卷 2070368-2070368页

作者： Anuj Bhargava Roni Eppstein Jiaxin Sun Michelle A. Smeaton Hanjong Paik Lena F. Kourkoutis Darrell G. Schlom Maytal Caspary Toroker Richard D. Robinson Department of Materials Science and Engineering Cornell University Ithaca NY 14853 USA Department of Materials Science and Engineering Technion—Israel Institute of Technology Haifa 3200003 Israel Platform for the Accelerated Realization Analysis and Discovery of Interface Materials (PARADIM) Cornell University Ithaca NY 14853 USA School of Applied and Engineering Physics Cornell University Ithaca NY 14853 USA Kavli Institute at Cornell for Nanoscale Science Ithaca NY 14853 USA Leibniz‐Institut für Kristallzüchtung Berlin 12489 Germany The Nancy and Stephen Grand Technion Energy Program Technion—Israel Institute of Technology Haifa 3200003 Israel

For six decades, electronic charge transport in oxides has been described by the small‐polaron hopping model. However, this model was developed for binary oxides only. By characterizing structure, site occupation, and transport, in article number 2004490, Maytal Caspary Toroker, Richard D. Robinson, and co‐workers show that the conventional model is inaccurate for oxides with more than two types of cation. They present an accurate model, opening new design avenues for high‐performance devices.

关键词： cation site occupation electronic conductivity molecular‐beam epitaxy small‐polaron hopping spinels

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Benchmark problems for phase retrieval

arXiv

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arXiv 2017年

作者： Elser, Veit Lan, Ti-Yen Bendory, Tamir Department of Physics Cornell University IthacaNY14853-2501 United States Program in Applied and Computational Mathematics Princeton University Princeton08544-1000 United States

In recent years, the mathematical and algorithmic aspects of the phase retrieval problem have received considerable attention. Many papers in this area mention crystallography as a principal application. In crystallography, the signal to be recovered is periodic and comprised of atomic distributions arranged homogeneously in the unit cell of the crystal. The crystallographic problem is both the leading application and one of the hardest forms of phase retrieval. We have constructed a graded set of benchmark problems for evaluating algorithms that perform this type of phase retrieval. The data, publicly available online1, is provided in an easily interpretable format. We also propose a simple and unambiguous success/failure criterion based on the actual needs in crystallography. Baseline runtimes were obtained with an iterative algorithm that is similar but more transparent than those used in crystallography. Empirically,the runtimes grow exponentially with respect to a new hardness parameter: the sparsity of the signal autocorrelation. We also review the algorithms used by the leading software packages. This set of benchmark problems, we hope, will encourage the development of new algorithms for the phase retrieval problem in general, and crystallography in particular. Copyright © 2017, The Authors. All rights reserved.

关键词： Benchmarking

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Full Dissolution of the Whole Lithium Sulfide Family (Li2S8to Li2S) in a Safe Eutectic Solvent for Rechargeable Lithium–Sulfur Batteries

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Angewandte Chemie 2019年第17期131卷

作者： Qian Cheng Weiheng Xu Shiyi Qin Subhabrata Das Tianwei Jin Aijun Li Alex Ceng Li Boyu Qie Pengcheng Yao Haowei Zhai Changmin Shi Xin Yong Yuan Yang Program of Materials Science and Engineering Department of Applied Physics and Applied Mathematics Columbia University 500 W 120th St New York NY 10027 USA Department of Mechanical Engineering The State University of New York Binghamton 85 Murray Hill Rd. Suite 1300 Rm#1320 Binghamton NY 13902 USA Langmuir Center of Colloids and Interfaces Columbia University 500 W 120th St New York NY 10027 USA

The lithium–sulfur battery is an attractive option for next‐generation energy storage owing to its much higher theoretical energy density than state‐of‐the‐art lithium‐ion batteries. However, the massive volume changes of the sulfur cathode and the uncontrollable deposition of Li 2 S 2 /Li 2 S significantly deteriorate cycling life and increase voltage polarization. To address these challenges, we develop an ϵ‐caprolactam/acetamide based eutectic‐solvent electrolyte, which can dissolve all lithium polysulfides and lithium sulfide (Li 2 S 8 –Li 2 S). With this new electrolyte, high specific capacity (1360 mAh g −1 ) and reasonable cycling stability are achieved. Moreover, in contrast to conventional ether electrolyte with a low flash point (ca. 2 °C), such low‐cost eutectic‐solvent‐based electrolyte is difficult to ignite, and thus can dramatically enhance battery safety. This research provides a new approach to improving lithium–sulfur batteries in aspects of both safety and performance.

关键词： Elektrolyte Eutektische Lösungsmittel Feuerschutzmittel Lithium-Schwefel-Batterien Sicherheit

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Detection of RS Oph with LST-1 and modelling of its HE/VHE gamma-ray emission

arXiv

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arXiv 2025年

作者： Abe, K. Abe, S. Abhishek, A. Acero, F. Aguasca-Cabot, A. Agudo, I. Alispach, C. Crespo, N. Alvarez Ambrosino, D. Antonelli, L.A. Aramo, C. Arbet-Engels, A. Arcaro, C. Asano, K. Aubert, P. Baktash, A. Balbo, M. Bamba, A. Larriva, A. Baquero de Almeida, U. Barres Barrio, J.A. Jiménez, L. Barrios Batkovic, I. Baxter, J. González, J. Becerra Bernardini, E. Bernete, J. Berti, A. Bezshyiko, I. Bhattacharjee, P. Bigongiari, C. Bissaldi, E. Blanch, O. Bonnoli, G. Bordas, P. Borkowski, G. Brunelli, G. Bulgarelli, A. Bunse, M. Burelli, I. Burmistrov, L. Buscemi, M. Cardillo, M. Caroff, S. Carosi, A. Carrasco, M.S. Cassol, F. Castrejón, N. Cerasole, D. Ceribella, G. Chai, Y. Cheng, K. Chiavassa, A. Chikawa, M. Chon, G. Chytka, L. Cicciari, G.M. Cifuentes, A. Contreras, J.L. Cortina, J. Costantini, H. Da Vela, P. Dalchenko, M. Dazzi, F. De Angelis, A. de Bony de Lavergne, M. De Lotto, B. de Menezes, R. Del Burgo, R. Del Peral, L. Delgado, C. Delgado Mengual, J. della Volpe, D. Dellaiera, M. Di Piano, A. Di Pierro, F. Di Tria, R. Di Venere, L. Díaz, C. Dominik, R.M. Dominis Prester, D. Donini, A. Dore, D. Dorner, D. Doro, M. Eisenberger, L. Elsässer, D. Emery, G. Escudero, J. Fallah Ramazani, V. Ferrarotto, F. Fiasson, A. Foffano, L. Freixas Coromina, L. Fröse, S. Fukazawa, Y. Garcia López, R. Gasbarra, C. Gasparrini, D. Geyer, D. Giesbrecht Paiva, J. Giglietto, N. Giordano, F. Gliwny, P. Godinovic, N. Grau, R. Green, D. Green, J. Gunji, S. Günther, P. Hackfeld, J. Hadasch, D. Hahn, A. Hassan, T. Hayashi, K. Heckmann, L. Heller, M. Herrera Llorente, J. Hirotani, K. Hoffmann, D. Horns, D. Houles, J. Hrabovsky, M. Hrupec, D. Hui, D. Iarlori, M. Imazawa, R. Inada, T. Inome, Y. Inoue, S. Ioka, K. Iori, M. Iuliano, A. Jahanvi, J. Jimenez Martinez, I. Jimenez Quiles, J. Jurysek, J. Kagaya, M. Kalashev, O. Karas, V. Katagiri, H. Kataoka, J. Kerszberg, D. Kobayashi, Y. Kohri, K. Kong, A. Kubo, H. Kushida, J. Lacave, B. Lainez, M. Lamanna, G. Lamastra, A. Lemoigne, L. Department of Physics Tokai University 4-1-1 Kita-Kaname Kanagawa Hiratsuka259-1292 Japan Institute for Cosmic Ray Research University of Tokyo 5-1-5 Kashiwa-no-ha Chiba Kashiwa277-8582 Japan Sezione di Fisica Via Roma 56 Siena53100 Italy Université Paris-Saclay Université Paris Cité CEA CNRS AIM Gif-sur-YvetteF-91191 Cedex France FSLAC IRL 2009 CNRS/IAC Tenerife La Laguna Spain Departament de Física Quàntica i Astrofísica Institut de Ciències del Cosmos Universitat de Barcelona IEEC-UB Martí i Franquès 1 Barcelona08028 Spain Instituto de Astrofísica de Andalucía-CSIC Glorieta de la Astronomía s/n Granada18008 Spain Department of Astronomy University of Geneva Chemin d’Ecogia 16 VersoixCH-1290 Switzerland IPARCOS-UCM Instituto de Física de Partículas y del Cosmos EMFTEL Department Universidad Complutense de Madrid Ciudad Universitaria Plaza de Ciencias 1 Madrid28040 Spain INFN Sezione di Napoli Via Cintia ed. G Napoli80126 Italy INAF - Osservatorio Astronomico di Roma Via di Frascati 33 Monteporzio Catone00040 Italy Max-Planck-Institut für Physik Föhringer Ring 6 München80805 Germany INFN Sezione di Padova Università degli Studi di Padova Via Marzolo 8 Padova35131 Italy Univ. Savoie Mont Blanc CNRS Laboratoire d’Annecy de Physique des Particules - IN2P3 Annecy74000 France Universität Hamburg Institut für Experimentalphysik Luruper Chaussee 149 Hamburg22761 Germany Graduate School of Science University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-0033 Japan Faculty of Science and Technology Universidad del Azuay Cuenca Ecuador Centro Brasileiro de Pesquisas Físicas Rua Xavier Sigaud 150 RJ Rio de Janeiro22290-180 Brazil Instituto de Astrofísica de Canarias Departamento de Astrofísica Universidad de La Laguna C. Vía Láctea s/n Santa Cruz de Tenerife La Laguna38205 Spain CIEMAT Avda. Complutense 40 Madrid28040 Spain University of Geneva Département de physique nucléaire et corpusculaire 24 Quai Ernest Ansernet

Context. The recurrent nova RS Ophiuchi (RS Oph) underwent a thermonuclear eruption in August 2021. In this event, RS Oph was detected by the High Energy Stereoscopic System (H.E.S.S.), the Major Atmospheric Gamma Imaging Cherenkov (MAGIC), and the first Large-Sized Telescope (LST-1) of the future Cherenkov Telescope Array Observatory (CTAO) at very-high gamma-ray energies above 100 GeV. This means that novae are a new class of very-high-energy (VHE) gamma-ray emitters. Aims. We report the analysis of the RS Oph observations with LST-1. We constrain the particle population that causes the observed emission in hadronic and leptonic scenarios. Additionally, we study the prospects of detecting further novae using LST-1 and the upcoming LST array of CTAO-North. Methods. We conducted target-of-opportunity observations with LST-1 from the first day of this nova event. The data were analysed in the framework of cta-lstchain and Gammapy, the official CTAO-LST reconstruction and analysis packages. One-zone hadronic and leptonic models were considered to model the gamma-ray emission of RS Oph using the spectral information from Fermi-LAT and LST-1, together with public data from the MAGIC and H.E.S.S. telescopes. Results. RS Oph was detected at 6.6σ with LST-1 in the first 6.35 hours of observations following the eruption. The hadronic scenario is preferred over the leptonic scenario considering a proton energy spectrum with a power-law model with an exponential cutoff whose position increases from (0.26 ± 0.08) TeV on day 1 up to (1.6 ± 0.6) TeV on day 4 after the eruption. The deep sensitivity and low energy threshold of the LST-1/LST array will allow us to detect faint novae and increase their discovery rate. © 2025, CC BY.

关键词： Gamma radiography

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