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arXiv 2023年

作者： Wang, Yufeng Luo, Ripeng Chen, Jian Zhou, Xuefeng Wang, Shanmin Wu, Junqiao Kang, Feiyu Yu, Kuang Sun, Bo Tsinghua Shenzhen International Graduate School Tsinghua University Shenzhen518055 China Tsinghua-Berkeley Shenzhen Institute Tsinghua University Shenzhen518055 China Department of Physics Academy for Advanced Interdisciplinary Studies Southern University of Science and Technology Shenzhen518055 China Department of Materials Science and Engineering University of California BerkeleyCA94720 United States Materials Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States

Proton tunneling is believed to be non-local in ice but has never been shown experimentally. Here we measured thermal conductivity of ice under pressure up to 50 GPa and found it to increase with pressure until 20 GPa but decrease at higher pressures. We attribute this anomalous drop of thermal conductivity to the collective tunneling of protons at high pressures, supported by large-scale quantum molecular dynamics simulations. The collective tunneling loops span several picoseconds in time and are as large as nanometers in space, which match the phonon periods and wavelengths, leading to strong phonon scattering at high pressures. Our results show direct evidence of collective quantum motion existing in high-pressure ice and provide a new perspective to understanding the coupling between phonon propagation and atomic tunneling. Copyright © 2023, The Authors. All rights reserved.

关键词： Ice

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Fine 3D control of THz emission in air with dual femtosecond laser pre-pulses at tunnelling ionisation regime

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Light(Advanced Manufacturing) 2024年第3期5卷 62-74页

作者： Hsin-Hui Huang Takeshi Nagashima Kota Kumagai Yoshio Hayasaki Saulius Juodkazis Vladimir T.Tikhonchuk Koji Hatanaka Optical Sciences Centre ARC Training Centre in Surface Engineering for Advanced Materials(SEAM)School of ScienceSwinburne University of TechnologyHawthornVictoria 3122Australia Faculty of Science and Engineering Setsunan University17-8 Ikeda-NakamachiNeyagawaOsaka572-8508Japan Center for Optical Research and Education(CORE) Utsunomiya University7-1-2 YotoUtsunomiya 321-8585Japan WRH Program International Research Frontiers Initiative(IRFI)Tokyo Institute of Technology Nagatsuta-choMidori-kuYokohamaKanagawa 226-8503 Japan Laser Research Center Physics FacultyVilnius UniversitySauletekio Ave.1010223 VilniusLithuania Centre Lasers Intenses et Applications Universite de Bordeaux351Cours de la Liberation33405 Talence cedexFrance Extreme Light Infrastructure ERIC ELI Beamlines FacilityZa Radnicic 83525241 Dolni BřežanyCzech Republic Organization for Research Strategy and Development Okayama Univ.1-1-1 Tsushima-nakaKita-kuOkayama 700-8530Japan

Emission of THz radiation from air breakdown at focused ultra-short fs-laser pulses(800 nm/35 fs)was investigated for the 3D spatio-temporal control where two pre-pulses are used before the *** laser pulse induced air breakdown forms a~120μm-long focal volume generate shockwaves which deliver a denser air into the focal region of the main pulse for enhanced generation of THz radiation at 0.1-2.5 THz spectral *** intensity of 162 pre-and main-pulses was at the tunnelling ionisation intensities(1-3)×10 W/cm and corresponded to sub-critical(transparent)plasma formation in *** analysis of THz radiation revealed that orientation of the air density gradients generated by pre-pulses and their time-position locations defined the ellipticity of the generated THz electrical *** rotational component of electric current is the origin of THz radiation.

关键词： THz radiation Femtosecond laser induced breakdown Air breakdown spatio-temporal control

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Direct observation of oxygen polarization in Sr2IrO4 by O K-edge x-ray magnetic circular dichroism

arXiv

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arXiv 2023年

作者： Kadono, R. Miyazaki, M. Hiraishi, M. Okabe, H. Koda, A. Amemiya, K. Nakao, H. Ibaraki Tsukuba305-0801 Japan Muroran Institute of Technology Hokkaido Muroran050-8585 Japan Graduate School of Science and Engineering Ibaraki University Bunkyo Ibaraki Mito310-8512 Japan Katahira Aoba-ku Sendai980-8577 Japan Department of Materials Structure Science The Graduate University for Advanced Studies Japan Ibaraki Tsukuba305-0801 Japan

X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) measurements at the oxygen (O) K-edge were performed to investigate the magnetic polarization of ligand O atoms in the weak ferromagnetic (WFM) phase of the Ir perovskite compound Sr2IrO4. With the onset of the WFM phase below TN 240 K, XMCD signals corresponding to XAS peaks respectively identified as originating from the magnetic moments of apical and planar oxygen (OA and OP) in the IrO6 octahedra were observed. The observation of magnetic moments at OA sites is consistent (except for the relative orientation) with that suggested by prior muon spin rotation (µSR) experiment in the non-collinear antiferromagnetic (NC-AFM) phase below TM ≈ 100 K. Assuming that the OA magnetic moment observed by µSR is also responsible for the corresponding XMCD signal, the magnetic moment of OP is estimated to be consistent with the previous µSR result. Since the OA XMCD signal is mainly contributed by Ir 5d zx and yz orbitals which also hybridize with OP, it is inferred that the relatively large OP magnetic moment is induced by Ir 5d xy orbitals. Moreover, the inversion of OA moments relative to Ir moments between the two magnetic phases revealed by XMCD suggests the presence of competing magnetic interactions for OA, with which the ordering of OA moments in the NC-AFM phase may be suppressed to TM © 2023, CC BY-SA.

关键词： Magnetic moments

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The environmental challenges of urban living: Why willingness to pay for apartments matters

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Environmental Challenges 2023年 13卷

作者： Tehupeiory, Aarce Mulyana, Rachmat Sianipar, Imelda Masni Juniaty Suryawan, I Wayan Koko Septiariva, Iva Yenis Prayogo, Wisnu Doctor of Law Program Universitas Kristen Indonesia Jakarta Cawang 13630 Indonesia Department of Building Engineering Education Universitas Negeri Medan Medan Indonesia PhD Student in Asia-Pacific Regional Studies College of Humanities and Social Sciences National Dong Hwa University Hualien 974 Taiwan Department of International Relations Faculty of Social Science and Political Science Universitas Kristen Indonesia Jakarta 13630 Indonesia Department of Environmental Engineering Faculty of Infrastructure Planning Universitas Pertamina Jakarta 12220 Indonesia Civil Engineering Study Program Faculty of Engineering Universitas Sebelas Maret Surakarta 57126 Indonesia

This study aims to understand the willingness of urban communities in Jabodetabek (Jakarta, Bogor, Depok, Tangerang, Bekasi) to move to apartment dwellings, and a study was conducted using a quantitative survey method. The study aimed to analyze the sociodemographic factors influencing the decision to switch to vertical housing. The survey collected data from a sample of individuals representing the entire population in Jabodetabek. The participants in the study were selected from various locations within Jabodetabek, including Jakarta, Bogor, Depok, Tangerang, and Bekasi. These areas were chosen to comprehensively represent the metropolitan region and its urban communities. By including participants from different locations within Jabodetabek, the study aimed to capture individuals' diverse perspectives and experiences in this region. The survey covered a range of sociodemographic factors such as gender, income, education level, marital status, occupancy, and residence ownership. The participants were divided into two groups: those willing to pay for an apartment and those who wereilling to pay for an apartment and those not. By comparing the characteristics of these two groups, the study aimed to identify significant differences and understand the factors influencing the willingness to move to apartment dwellings. The study results showed significant differences in income level, education level, marital status, and occupancy between the two groups. Income level was the most significant factor affecting an individual's willingness to pay for an apartment. Additionally, the perception of better apartment productivity, which includes reduced transportation time and costs associated with work or other business purposes, increased the demand for apartments. The study found that income level was the most significant factor affecting an individual's willingness to pay for an apartment. The perception of better apartment productivity also increased demand for apartments,

关键词： Apartments Better productivity Jabodetabek Metropolitan cities Sociodemographics Willingness to Pay

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Compositionally Complex Perovskite Oxides as a New Class of Li-Ion Solid Electrolytes

arXiv

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arXiv 2022年

作者： Ko, Shu-Ting Lee, Tom Qi, Ji Zhang, Dawei Peng, Wei-Tao Wang, Xin Tsai, Wei-Che Sun, Shikai Wang, Zhaokun Bowman, William J. Ong, Shyue Ping Pan, Xiaoqing Luo, Jian Materials Science and Engineering Program University of California San Diego La Jolla CA United States Department of Materials Science and Engineering University of California at Irvine IrvineCA United States Department of NanoEngineering University of California San Diego La Jolla CA United States Department of Physics and Astronomy University of California at Irvine IrvineCA United States Irvine Materials Research Institute University of California at Irvine IrvineCA United States

Compositionally complex ceramics (CCCs), including high-entropy ceramics (HECs) as a subclass, offer new opportunities of materials discovery beyond the traditional methodology of searching new stoichiometric compounds. Herein, we establish new strategies of tailoring CCCs via a seamless combination of (1) non-equimolar compositional designs and (2) controlling microstructures and interfaces. Using oxide solid electrolytes for all-solid-state batteries as an exemplar, we validate these new strategies via discovering a new class of compositionally complex perovskite oxides (CCPOs) to show the possibility of improving ionic conductivities beyond the limit of conventional doping. As an example (amongst the 28 CCPOs examined), we demonstrate that the ionic conductivity can be improved by >60% in (Li0.375Sr0.4375)(Ta0.375Nb0.375Zr0.125Hf0.125)O3-δ, in comparison with the state-of-art (Li0.375Sr0.4375)(Ta0.75Zr0.25)O3-δ (LSTZ) baseline, via maintaining comparable electrochemical stability. Furthermore, the ionic conductivity can be improved by another >70% via grain boundary (GB) engineering, achieving >270% of the LSTZ baseline. This work suggests transformative new strategies for designing and tailoring HECs and CCCs, thereby opening a new window for discovering materials for energy storage and many other applications. © 2022, CC BY.

关键词： Solid electrolytes

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Theoretical and Experimental Sets of Choice Anode/Cathode Architectonics for High?Performance Full?Scale LIB Built?up Models

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Nano-Micro Letters 2019年第4期11卷 485-507页

作者： H.Khalifa S.A.El?Safty A.Reda M.A.Shenashen M.M.Selim A.Elmarakbi H.A.Metawa National Institute for Materials Science (NIMS) Department of Physics Faculty of Science Damanhur University Department of Mathematics Al?Aflaj College of Science and Human Studies Prince Sattam Bin Abdulaziz University Department of Mechanical and Construction Engineering Faculty of Engineering and Environment Northumbria University

To control the power hierarchy design of lithium?ion battery（LIB） built?up sets for electric vehicles（EVs）, we o er intensive theoretical and experimental sets of choice anode/cathode architectonics that can be modulated in full?scale LIB built?up models. As primary structural tectonics, heterogeneous composite superstructures of full?cell?LIB（anode//cathode） electrodes were designed in closely packed flower agave rosettes TiO2@C（FRTO@C anode） and vertical?star?tower L iFePO4@C（VST@C cath?ode） building blocks to regulate the electron/ion movement in the three?dimensional axes and orientation pathways. The superpower hierarchy surfaces and multi?directional orientation components may create isosurface potential electrodes with mobile electron movements, in?to?out interplay electron dominances, and electron/charge cloud distribu?tions. This study is the first to evaluate the hotkeys of choice anode/cathode architectonics to assemble di erent LIB–electrode platforms with high?mobility electron/ion flows and high?performance capacity functionalities. Density functional theory calculation revealed that the FRTO@C anode and VST?（i）@C cathode architectonics are a superior choice for the configuration of full?scale LIB built?up models. The integrated FRTO@C//VST?（i）@C full?scale LIB retains a huge discharge capac?ity（～ 94.2%）, an average Coulombic e ciency of 99.85% after 2000 cycles at 1 C, and a high energy density of 127 Wh kg-1, thereby satisfying scale?up commercial EV requirements.

关键词： Lithium?ion battery 3D super?scalable hierarchal anode/cathode models Density functional theory Anode/cathode architectonics Electric vehicle applications

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Interfacial Modification to Anomalously Facilitate Thermal Transport Through Cathode-Separator Composite in Lithium-Ion Batteries

SSRN

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SSRN 2022年

作者： He, Jinlong Xian, Weikang Tao, Lei Corrigan, Patrick Li, Ying Department of Mechanical Engineering University of Connecticut StorrsCT06269 United States Department of Mechanical Engineering Polymer Program Institute of Materials Science University of Connecticut StorrsCT06269 United States Department of Chemistry University of Connecticut StorrsCT06269 United States

Adopting the self-assembled monolayers (SAMs) approach, various organic molecules were selected as the heat controllers to modulate the interfacial thermal conductance (ITC) between the cathode, lithium cobalt oxide (LCO), and the separator, polyethylene (PE). Silane-based SAMs molecules with different groups, including -NH 2 , -SH, and -CH 3 , were assembled into the LCO-PE composite’s interphase. Through molecular dynamics (MD) simulations, our results demonstrate SAMs molecules-decorated LCO-PE nanocomposites give a notably improved interfacial heat transfer but are of different magnitude. Such difference mainly results from the different non-bonded interactions and compatibility between SAMs molecules and PE. Of the three SAMs molecules, the assembled 3-aminopropyl trimethoxysilane (APTMS) featuring –NH 2 groups improves the ITC the most, about 303.29% in comparison with the pristine interface. Furthermore, these findings help elucidate the underlying mechanisms of how SAMs molecules improve heat transfer across the LCO-PE interphase. Specifically, such enhancement is greatly attributed to the unique SAMs molecules, which build the new heat transfer pathways between LCO and PE, straighten SAMs molecules’ morphology, remove the discontinuities in the temperature field, develop the strong non-bonded interactions between SAMs molecules and PE, and strengthen the coupling vibration of two materials. © 2022, The Authors. All rights reserved.

关键词： Molecular dynamics

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Research on the matching relationship of municipal solid waste management and alternative fuel in Indonesia's cement industry

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Case studies in Chemical and Environmental engineering 2025年 11卷

作者： Wiharja Suherman Syafrudin Kholiq, Muhammad Abdul Pratama, Reba Anindyajati Robbani, Muhammad Haqqiyuddin Suryanto, Feddy Doctoral Program of Environmental Science School of Postgraduate Studies Diponegoro University Central Java Semarang 50275 Indonesia Research Center for Environmental and Clean Technology National Research and Innovation Agency Banten South Tangerang 15314 Indonesia Department of Chemical Engineering Faculty of Engineering Diponegoro University Central Java Semarang 50275 Indonesia Department of Environmental Engineering Faculty of Engineering Diponegoro University Central Java Semarang 50275 Indonesia Directorate of Environment Maritime Natural Resources and Nuclear Policy National Research and Innovation Agency Jakarta 10340 Indonesia

The cement industry in Indonesia, heavily relies on coal, contributing significantly to greenhouse gas (GHG) emissions. Simultaneously, Java Island generates over 23 million tons of municipal solid waste (MSW) annually, with limited utilization for energy recovery. This study evaluates the feasibility of substituting coal with refuse-derived fuel (RDF) from MSW in Java's cement industry, focusing on environmental, economic, and technical aspects. Scenario analyses indicate that substituting 10%, 20%, and 30% of thermal energy with RDF could divert up to 8.7 million tons of MSW from landfills annually, reducing GHG emissions by up to 2.77 million Gg CO₂-eq. These reductions align with Indonesia's environmental policies and global climate commitments under the Paris Agreement. The economic assessment demonstrates the viability of RDF, with potential annual cost savings of up to $421 million. Beyond addressing coal dependency, RDF adoption supports circular economy practices, reduces landfill reliance, and mitigates environmental pollution. However, challenges such as infrastructure gaps and regulatory barriers require attention. This study provides actionable insights to guide policy formulation, foster industry investment, and facilitate the implementation of RDF-based energy solutions. By bridging waste management and sustainable energy practices, the findings contribute to Indonesia's renewable energy goals, emphasizing the practical applications of RDF for a more sustainable future in industrial operations. © 2025 The Authors

关键词： Alternative fuel Cement industry Municipal solid waste Refused-derived fuel Sustainable energy

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3d Printable Ca(Oh)2-Based Geopolymer Concrete with Steel Fiber Reinforcement

SSRN

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SSRN 2024年

作者： Mortada, Youssef Hammoud, Ahmad Masoud, Laith Wyrzykowski, Mateusz Sirtoli, Davide Lura, Pietro Mansoor, Bilal Masad, Eyad Department of Materials Science and Engineering Texas A&M University 575 Ross Street College StationTX77843 United States Mechanical Engineering Program Texas A&M University at Qatar P. O. Box 23874 Doha Qatar J. Mike Walker’66 Department of Mechanical Engineering Texas A&M University College StationTX77843 United States Concrete and Asphalt Laboratory Empa DübendorfCH-8600 Switzerland Institute for Building Materials ETH Zurich ZurichCH-8092 Switzerland Zachary Department of Civil and Environmental Engineering Texas A&M University College StationTX77843 United States

This study explores the impact of varying steel fiber percentages (0%, 0.8%, 1.0%, and 1.2% of the binder by volume) on the mechanical properties of geopolymer concrete (GPC). Initial investigations on the GPC matrix involved characterization of mechanical properties through tests of compressive, flexural, and tensile strengths, which were conducted across all fiber percentages. The best results were obtained at 1.2% fiber content, with a more than doubling of the 28-day tensile strength and a 16% increase of the flexural strength relative to the material without steel fibers. The compressive strength was not affected and remained at around 40 MPa. The interlayer bond strength increased by 20%, and both the dynamic and the static elastic moduli improved, indicating an improvement in structural integrity and capacity. The early-age cracking risk was assessed by measurements of autogenous shrinkage, of self-induced stresses measured with the Dual Ring Tests, and compressive basic creep on the mixture with 1.2% fiber content. These tests demonstrated a significant reduction in shrinkage and slight decrease in self-induced stresses. Microstructure analysis using X-ray microtomography, SEM, and ASTM C642 tests further confirmed the improved structural integrity of the steel fiber-reinforced concrete. The optimal fiber content of 1.2% of the binder not only strengthens the geopolymer matrix but also improves its long-term stability and durability, making it a viable reinforcement choice for additive manufacturing and construction applications. © 2024, The Authors. All rights reserved.

关键词： Steel fibers

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Molecular interaction volume model of mixing enthalpy for molten salt system: An integrated calorimetry-model case study of LaCl3-(LiCl-KCl)

arXiv

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arXiv 2024年

作者： Goncharov, Vitaliy G. Smith, William Li, Jiahong Eakin, Jeffrey A. Reinhart, Erik D. Boncella, James Gibson, Luke D. Bryantsev, Vyacheslav S. Gong, Rushi Shang, Shun-Li Liu, Zi-Kui Xu, Hongwu Clark, Aurora Guo, Xiaofeng Department of Chemistry Washington State University PullmanWA99164 United States Materials Science and Engineering Program Washington State University PullmanWA99164 United States Computational Sciences and Engineering Division Oak Ridge National Laboratory P.O. Box 2008 Oak RidgeTN37831 United States Chemical Science Division Oak Ridge National Laboratory P.O. Box 2008 Oak RidgeTN37831 United States Department of Materials Science and Engineering Pennsylvania State University University ParkPA16802 United States Earth and Environmental Sciences Division Los Alamos National Laboratory Los Alamos New MexicoNM87545 United States Arizona State University TempeAZ United States Department of Chemistry The University of Utah Salt Lake CityUT84112 United States

Calorimetric determination of enthalpies of mixing (ΔHmix) of multicomponent molten salts often employs empirical models that lack parameters with clear physical interpretation (e.g., coordination numbers, molar volumes, and pair potentials). Although such physics informed models are not always needed, a thermodynamic understanding of the relationships between excess energies of mixing and local to intermediate solvation structures is particularly important for pyrochemical separation, as is the case for lanthanides (Ln), which are common neutron poisons and critical industrial elements found in spent nuclear fuels. Here we implement the molecular interaction volume model (MIVM) to synthesize information from experimentally measured ΔHmix (using high temperature melt drop calorimetry) and the distribution of solvation structures from ab initio molecular dynamics (AIMD) simulations. This was demonstrated by a case study of molten salt system consisted of LaCl3 mixing with a eutectic LiCl-KCl (58mol% - 42mol%) at 873 K and 1133 K. The parameters modelled from MIVM were used to extrapolate excess Gibbs energy (ΔGmix), and compositional dependence of La3+ activity in the LaCl3-(LiCl-KCl) system. In contrast, by AIMD or polarizable ion model (PIM) simulations, a significant deviation regarding the predicted ΔHmix was seen if computed directly from the molecular dynamic trajectories. The integrated experimental and simulation data within the MIVM formalism are generalizable to a wide variety of molten salts and demonstrate a significant improvement over currently employed methods to study molten salts for nuclear and separations sciences. Copyright © 2024, The Authors. All rights reserved.

关键词： Enthalpy

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