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arXiv 2019年

作者： Butykai, Ádám Geirhos, Korbinian Szaller, Dávid Kiss, László F. Balogh, László Azhar, Maria Garst, Markus DeBeer-Schmitt, Lisa Waki, Takeshi Tabata, Yoshikazu Nakamura, Hiroyuki Kézsmárki, István Bordács, Sándor Department of Physics Budapest University of Technology and Economics Budapest1111 Hungary Condensed Matter Research Group of the Hungarian Academy of Sciences Budapest1111 Hungary Experimental Physics V Center for Electronic Correlations and Magnetism University of Augsburg Augsburg86135 Germany Institute of Solid State Physics TU Wien Vienna1040 Austria Department of Experimental Solid State Physics Institute for Solid State Physics and Optics Wigner Research Centre for Physics Budapest1121 Hungary Institut für Theoretische Festkörperphysik Karlsruhe Institute of Technology Karlsruhe76131 Germany Institute for Quantum Materials and Technology Karlsruhe Institute of Technology Karlsruhe76131 Germany Neutron Scattering Division ORNL Oak RidgeTN37831 United States Department of Materials Science and Engineering Kyoto University Kyoto606-8501 Japan Hungarian Academy of Sciences Premium Postdoctor Program Budapest1051 Hungary

In polar magnets, such as GaV4S8, GaV4Se8 and VOSe2O5, modulated magnetic phases namely the cycloidal and the Néel-type skyrmion lattice states were identified over extended temperature ranges, even down to zero Kelvin. Our combined small-angle neutron scattering and magnetization study shows the robustness of the Néel-type magnetic modulations also against magnetic fields up to 2 T in the polar GaMo4S8. In addition to the large upper critical field, enhanced spin-orbit coupling produces a variety of modulated phases with sub-10 nm periodicity and a peculiar distribution of the magnetic modulation vectors. Thus, our work demonstrates that non-centrosymmetric magnets with 4d and 5d electron systems are ideal candidates to host highly compressed magnetic spirals and skyrmions. Copyright © 2019, The Authors. All rights reserved.

关键词： Gallium compounds

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Atomic-Scale Simulation of Grain Boundary Kinetics during Recrystallization

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MRS Online Proceedings Library 2020年第1期819卷 N6.7.1-N6.7.9页

作者： Z. Trautt M. Upmanyu Group for Simulation and Theory of Atomic-scale Material Phenomena (stAMP) USA Department of Physics Colorado School of Mines Golden USA Engineering Division Colorado School of Mines Golden USA Materials Science Program Colorado School of Mines Golden USA

We present two-dimensional molecular dynamics (MD) simulations of symmetric tilt grain boundary kinetics, driven by stored energy of deformation. The latter is introduced by prescribing a well-defined gradient in dislocation density across a flat grain boundary. Bi-crystals simulations reveal that the boundary motion, albeit jerky, increases linearly with simulation time. We also employ a control simulation to extract the driving force for motion, which then yields a unique boundary mobility. Preliminary comparisons with curvature driven boundary migration for misorientations 30° and 22.78° suggest that misorientation dependence of boundary migration is significantly less anisotropic, in turn implying that the mechanism of motion itself is different.

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The role of deformability in determining the structural and mechanical properties of bubbles and emulsions

arXiv

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arXiv 2019年

作者： Boromand, Arman Signoriello, Alexandra Lowensohn, Janna Orellana, Carlos S. Weeks, Eric R. Ye, Fangfu Shattuck, Mark D. O’Hern, Corey S. Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Beijing National Laboratory for Condensed Matter Physics CAS Key Laboratory of Soft Matter Physics Institute of Physics Chinese Academy of Sciences Beijing China Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Department of Physics Emory University AtlantaGA30322 United States School of Physical Sciences University of Chinese Academy of Sciences Beijing China Benjamin Levich Institute and Physics Department City College of New York New YorkNY10031 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

We perform computational studies of jammed particle packings in two dimensions undergoing isotropic compression using the well-characterized soft particle (SP) model and deformable particle (DP) model that we developed for bubbles and emulsions. In the SP model, circular particles are allowed to overlap, generating purely repulsive forces. In the DP model, particles minimize their perimeter, while deforming at fixed area to avoid overlap during compression. We compare the structural and mechanical properties of jammed packings generated using the SP and DP models as a function of the packing fraction ρ, instead of the reduced number density φ. We show that near jamming onset the excess contact number ∆z = z−zJ and shear modulus G scale as ∆ρ0.5 in the large system limit for both models, where ∆ρ = ρ−ρJ and zJ ≈4 and ρJ ≈0.842 are the values at jamming onset. ∆z and G for the SP and DP models begin to differ for ρ & 0.88. In this regime, ∆z∼G can be described by a sum of two power-laws in ∆ρ, i.e. ∆z∼G ∼C0∆ρ0.5+C1∆ρ1.0 to lowest order. We show that the ratio C1/C0 is much larger for the DP model compared to to that for the SP model. We also characterize the void space in jammed packings as a function of ρ. We find that the DP model can describe the formation of Plateau borders as ρ → 1. We further show that the results for z and the shape factor A versus ρ for the DP model agree with recent experimental studies of foams and emulsions. Copyright © 2019, The Authors. All rights reserved.

关键词： Jamming

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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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Environmental impacts and the future prospects of waste utilization in the concrete production

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materials Today: Proceedings 2024年

作者： Furqan Tahir Sabrina Alzahrani Yousef Noori Sami G. Al-Ghamdi Environmental Science and Engineering Program Biological and Environmental Science and Engineering Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia KAUST Climate and Livability Initiative King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Department of Geography King’s College London London WC2B 4BG United Kingdom Materials Science and Engineering Department University of Illinois at Urbana-Champaign Urbana IL 61801 United States.

Concrete, a widely utilized building material, plays a pivotal role in the development of modern infrastructure. However, its extensive consumption and the substantial environmental damage associated with its life cycle have raised serious concerns about its sustainability. With the global efforts of cutting carbon emissions across each sector, it is critical to find alternatives that are environmentally friendly and feasible for the construction sector. Furthermore, numerous researchers have been actively exploring the incorporation of various waste materials into concrete production as part of a concerted effort to minimize waste. This paper focuses on analyzing the environmental impacts of five different waste materials utilization in concrete production and explores potential prospects for more environmentally friendly alternatives. It has been observed that one promising approach is the incorporation of recycled aggregates, such as fly ash, blast furnace slag, and marble sludge, as partial or total replacements for natural aggregates. These recycled materials aid in efficient waste stream management and lessen the need for virgin resources. Based on the application and the percentage of waste material inclusion, the carbon emissions can be lowered by 10 – 30%. This work highlights ongoing efforts within the scientific community to mitigate the environmental impacts of concrete through alternative materials and methods. Furthermore, this research emphasizes the imperative for concerted collaboration among academia, policymakers, and professionals within the construction industry to chart a course toward a more sustainable future for the construction sector.

关键词： Carbon emissions Cement Concrete Environmental impacts Life cycle assessment Recycled aggregates Waste

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Anomalous bulk modulus in vanadate spinels

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Physical Review B 2016年第16期94卷 165159-165159页

作者： Z.-Y. Li X. Li J.-G. Cheng L. G. Marshall X.-Y. Li A. M. dos Santos W.-G. Yang J. J. Wu J.-F. Lin G. Henkelman T. Okada Y. Uwatoko H. B. Cao H. D. Zhou J. B. Goodenough J.-S. Zhou Materials Science and Engineering Program University of Texas at Austin Austin Texas 78712 USA Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of Sciences Beijing 100190 China Institute for Solid State Physics University of Tokyo 5-1-5 Kashiwanoha Chiba 277-8581 Japan Quantum Condensed Matter Division Oak Ridge National Laboratory Tennessee 37831 USA High Pressure Synergetic Consortium (HPSynC) and High Pressure Collaborative Access Team (HPCAT) Geophysical Laboratory Carnegie Institute of Washington Argonne Illinois 60439 USA Center for High Pressure Science and Technology Advanced Research (HPSTAR) Shanghai 201900 China Department of Geological Sciences Jackson School of Geosciences University of Texas at Austin Austin Texas 78712 USA Department of Chemistry University of Texas at Austin Austin Texas 78712 USA Department of Physics and Astronomy University of Tennessee Knoxville Tennessee 37966 USA

All single-valent oxide spinels are insulators. The relatively small activation energy in the temperature dependence of resistivity in vanadate spinels led to the speculation that the spinels are near the crossover from localized to itinerant electronic behavior, and the crossover could be achieved under pressure. We have performed a number of experiments and calculations aimed at obtaining information regarding structural changes under high pressure for the whole series of vanadate spinels, as well as transport and magnetic properties under pressure for MgV2O4. We have also studied the crystal structure under pressure of wide-gap insulators ACr2O4 (A=Mg, Mn, Fe, Zn) for comparison. Moreover, the relationship between the bulk modulus and the cell volume of AV2O4 (A=Mg, Mn, Fe, Co, Zn) has been simulated by a density functional theory calculation. The proximity of AV2O4 spinels to the electronic state crossover under high pressure has been tested by three criteria: (1) a predicted critical V-V bond length, (2) the observation of a sign change in the pressure dependence of Néel temperature, and (3) measurement of a reduced bulk modulus. The obtained results indicate that, although the crossover from localized to itinerant π bonding V-3d electrons in the AV2O4 spinels is approached by reducing under pressure the V-V separation R, the critical separation Rc is not reached by 20 GPa in CoV2O4, which has the smallest V-V separation in the AV2O4 (A=Mg, Mn, Fe, Co, Zn) spinels.

关键词： Antiferromagnetism Insulators Magnetic phase transitions Metals

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Conjugated Polymers: Linking Group Influences Charge Separation and Recombination in All‐Conjugated Block Copolymer Photovoltaics (Adv. Funct. Mater. 35/2015)

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Advanced Functional materials 2015年第35期25卷

作者： Jorge W. Mok Yen‐Hao Lin Kevin G. Yager Aditya D. Mohite Wanyi Nie Seth B. Darling Youngmin Lee Enrique Gomez David Gosztola Richard D. Schaller Rafael Verduzco Department of Chemical and Biomolecular Engineering Rice University Houston TX 77005 USA Center for Functional Nanomaterials Brookhaven National Laboratory Upton NY 11973 USA Center for Integrated Nanotechnologies Materials Physics and Applications Division Los Alamos National Laboratory Los Alamos NM 87545 USA Center for Nanoscale Materials Argonne National Laboratory Argonne IL 60439 USA Institute for Molecular Engineering The University of Chicago Chicago IL 60637 USA Department of Chemical Engineering The Pennsylvania State University University Park PA 16802 USA Department of Chemistry Northwestern University Evanston IL 60208 USA Department of Materials Science and NanoEngineering Rice University Houston TX 77005 USA

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Photoactivated theranostic nanomaterials based on aggregation-induced emission luminogens for cancer photoimmunotherapy

Responsive Materials

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Responsive materials 2024年第2期2卷

作者： Yuqi Tang Xing Wang Shilin Chen Quan Li Institute of Advanced Materials and School of Chemistry and Chemical Engineering Southeast University Nanjing China Department of Thoracic Surgery The Affiliated Cancer Hospital of Nanjing Medical University Jiangsu Cancer Hospital and Jiangsu Institute of Cancer Research Nanjing China Materials Science Graduate Program Kent State University Kent Ohio USA

In this study, a series of high liposoluble near-infrared emissive aggregation-induced emission luminogens with triphenylamine derivatives as donor units and 1-indanone as electron acceptor units are developed. Specifically, MTTOI has promising lipid droplets targeting ability and viscosity-response characteristics, and it can monitor the viscosity fluctuations in living cells in real time. It is found that MTTOI is able to fulfill the activation of the apoptosis-related signaling pathways under white light, and it can also activate the ferroptosis to synergize apoptosis resulting in tumor elimination. Interestingly, the occurrence of ferroptosis is positively related to the enhancement of immunogenic cell-death effect, thus boosting the tumor infiltration of CD8 + T cells and reducing the proportion of regulatory T cells by cooperating with dendritic cells, which can not only carry out primary antitumor treatment, but also prevent tumor metastasis through strong immunological memory effect. Moreover, in vivo experimental results confirm that MTTOI successfully effectuates fatty liver tissue imaging. MTTOI fluorescence signals can be captured at the tumor site after 3 days of administration due to its high fat-solubility and ease of fusion with tumors. This classic example could promote the further development of phototherapeutic agents in preclinical research and clinical applications.

关键词： cancer photoimmunotherapy ferroptosis near-infrared aggregation-induced emission luminogen photoactivated theranostic nanomaterial viscosity response

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The bulk van der Waals layered magnet CrSBr is a quasi-1D material

arXiv

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arXiv 2022年

作者： Klein, Julian Pingault, Benjamin Florian, Matthias Heißenbüttel, Marie-Christin Steinhoff, Alexander Song, Zhigang Torres, Kierstin Dirnberger, Florian Curtis, Jonathan B. Weile, Mads Penn, Aubrey Deilmann, Thorsten Dana, Rami Bushati, Rezlind Quan, Jiamin Luxa, Jan Sofer, Zdenek Alù, Andrea Menon, Vinod M. Wurstbauer, Ursula Rohlfing, Michael Narang, Prineha Lončar, Marko Ross, Frances M. Department of Materials Science and Engineering Massachusetts Institute of Technology CambridgeMA02139 United States John A. Paulson School of Engineering and Applied Sciences Harvard University CambridgeMA02138 United States QuTech Delft University of Technology Delft2600 GA Netherlands Department of Electrical and Computer Engineering Department of Physics University of Michigan Ann ArborMI48109 United States Institut für Festkörpertheorie Westfälische Wilhelms-Universität Münster Münster48149 Germany Institut für Theoretische Physik Universität Bremen P.O. Box 330 440 Bremen28334 Germany Bremen Center for Computational Materials Science University of Bremen Bremen28359 Germany Department of Physics City College of New York New YorkNY10031 United States College of Letters and Science UCLA Los AngelesCA90095 United States Department of Physics Technical University of Denmark Kgs. LyngbyDK-2800 Denmark MIT.nano Massachusetts Institute of Technology CambridgeMA02139 United States Department of Physics The Graduate Center City University of New York New YorkNY10016 United States Photonics Initiative CUNY Advanced Science Research Center New YorkNY10031 United States Physics Program Graduate Center City University of New York New YorkNY10026 United States Department of Inorganic Chemistry University of Chemistry and Technology Prague Technická 5 Prague 6166 28 Czech Republic Institute of Physics Center for Nanotechnology University of Münster Münster48149 Germany

Correlated quantum phenomena in one-dimensional (1D) systems that exhibit competing electronic and magnetic order are of strong interest for studying fundamental interactions and excitations, such as Tomonaga-Luttinger liquids and topological orders and defects with properties completely different from the quasiparticles expected in their higher-dimensional counterparts. However, clean 1D electronic systems are difficult to realize experimentally, particularly magnetically ordered systems. Here, we show that the van der Waals layered magnetic semiconductor CrSBr behaves like a quasi-1D material embedded in a magnetically ordered environment. The strong 1D electronic character originates from the Cr-S chains and the combination of weak interlayer hybridization and anisotropy in effective mass and dielectric screening with an effective electron mass ratio of meX/meY ∼ 50. This extreme anisotropy experimentally manifests in strong electron-phonon and exciton-phonon interactions, a Peierls-like structural instability and a Fano resonance from a van Hove singularity of similar strength of metallic carbon nanotubes. Moreover, due to the reduced dimensionality and interlayer coupling, CrSBr hosts spectrally narrow (1 meV) excitons of high binding energy and oscillator strength that inherit the 1D character. Overall, CrSBr is best understood as a stack of weakly hybridized monolayers and appears to be an experimentally attractive candidate for the study of exotic exciton and 1D correlated many-body physics in the presence of magnetic order. Copyright © 2022, The Authors. All rights reserved.

关键词： Excitons

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Quantum critical behavior of the hyperkagome magnet Mn3CoSi

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Physical Review Research 2024年第1期6卷 013144-013144页

作者： Hiroki Yamauchi Dita Puspita Sari Yukio Yasui Terutoshi Sakakura Hiroyuki Kimura Akiko Nakao Takashi Ohhara Takashi Honda Katsuaki Kodama Naoki Igawa Kazutaka Ikeda Kazuki Iida Daichi Ueta Tetsuya Yokoo Matthias D. Frontzek Songxue Chi Jaime A. Fernandez-Baca Kenji M. Kojima Donald Arseneau Gerald Morris Bassam Hitti Yipeng Cai Adam Berlie Isao Watanabe Pai-Tse Hsu Yu-Sheng Chen Min Kai Lee Amelia Elisabeth Hall Geetha Balakrishnan Lieh-Jeng Chang Shin-ichi Shamoto Materials Sciences Research Center Japan Atomic Energy Agency (JAEA) Tokai Ibaraki 319-1195 Japan Innovative Global Program College of Engineering Shibaura Institute of Technology 307 Fukasaku Minuma-ku Saitama City Saitama 337-8570 Japan Meson Science Laboratory RIKEN Nishina Center 2-1 Hirosawa Wako Saitama 351-0198 Japan School of Science and Technology Meiji University Kawasaki Kanagawa 214-8571 27 Japan Neutron Industrial Technology Center Comprehensive Research Organization for Science and Society (CROSS) Tokai Ibaraki 319-1106 Japan Institute of Multidisciprinary Research for Advanced Materials Tohoku University Sendai 980-8577 Japan Neutron Science and Technology Center Comprehensive Research Organization for Science and Society (CROSS) Tokai Ibaraki 319-1106 Japan J-PARC Center Japan Atomic Energy Agency (JAEA) Tokai Ibaraki 319-1195 Japan Institute of Materials Structure Science High Energy Accelerator Research Organization (KEK) Tsukuba Ibaraki 305-0801 Japan Neutron Scattering Division Oak Ridge National Laboratory (ORNL) Oak Ridge Tennessee 37831 USA TRIUMF Vancouver British Columbia V6T 2A3 Canada ISIS Neutron and Muon Source Science and Technology Facilities Council Rutherford Appleton Laboratory Didcot OX11 0QX United Kingdom Department of Physics National Cheng Kung University Tainan 70101 Taiwan National Synchrotron Radiation Research Center Hsinchu 300092 Taiwan Department of Physics University of Warwick Coventry CV4 7AL United Kingdom Institute of Physics Academia Sinica Taipei 115201 Taiwan Advanced Science Research Center Japan Atomic Energy Agency (JAEA) Tokai Ibaraki 319-1195 Japan

β-Mn-type family alloys Mn3TX (T=Co, Rh, and Ir; X=Si and Ge) have a three-dimensional antiferromagnetic (AF) corner-shared triangular network, i.e., the hyperkagome lattice. The antiferromagnet Mn3RhSi shows magnetic short-range order over a wide temperature range of approximately 500 K above the Néel temperature TN of 190 K. In this family of compounds, as the lattice parameter decreases, the long-range magnetic ordering temperature decreases. Mn3CoSi has the smallest lattice parameter and the lowest TN in the family. The quantum critical point (QCP) from AF to the quantum paramagnetic state is expected near a cubic lattice parameter of 6.15 Å. Although the Néel temperature of Mn3CoSi is only 140 K, the emergence of the quantum critical behavior in Mn3CoSi is discussed. We study how the magnetic short-range order appears in Mn3CoSi by using neutron scattering, μSR, and bulk characterization such as specific heat capacity. According to the results, the neutron scattering intensity of the magnetic short-range order in Mn3CoSi does not change much at low temperatures from that of Mn3RhSi, although the μSR short-range order temperature of Mn3CoSi is largely suppressed to 240 K from that of Mn3RhSi. Correspondingly, the volume fraction of the magnetic short-range order regions, as shown by the initial asymmetry drop ratio of μSR above TN, also becomes small. Instead, the electronic-specific heat coefficient γ of Mn3CoSi is the largest in this Mn3TSi system, possibly due to the low-energy spin fluctuation near the quantum critical point.

关键词： Critical phenomena Exotic phases of matter Magnetic order Magnetism Phase diagrams Phase transitions Quantum phase transitions

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