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Stress-tailoring magnetic anisotropy of V2O3/Ni bilayers

Physical Review materials 2022年第6期6卷 064408-064408页

作者： Christian T. Wolowiec Juan Gabriel Ramírez Min-Han Lee Nareg Ghazikhanian Nicolas M. Vargas Ali C. Basaran Pavel Salev Ivan K. Schuller Department of Physics University of California San Diego La Jolla California 92093 USA Department of Physics Universidad de los Andes Bogotá 111711 Colombia Materials Science and Engineering Program University of California San Diego La Jolla California 92093 USA

We report on a temperature-driven reversible change of the in-plane magnetic anisotropy of V2O3/Ni bilayers. This is caused by the rhombohedral to monoclinic structural phase transition of V2O3 at TC=160 K. The in-plane magnetic anisotropy is uniaxial above TC, but as the bilayer is cooled through the structural phase transition, a secondary magnetic easy axis emerges. Ferromagnetic resonance measurements show that this change in magnetic anisotropy is reversible with temperature. We identify two structural properties of the V2O3/Ni bilayers affecting the in-plane magnetic anisotropy: (1) a growth-induced uniaxial magnetic anisotropy associated with steplike terraces in the bilayer microstructure and (2) a low-temperature strain-induced biaxial anisotropy associated with the V2O3 structural phase transition. Magnetoresistance measurements corroborate the change in magnetic anisotropy across the structural transition and suggest that the negative magnetostriction of Ni leads to the emergence of a strain-induced easy axis. This shows that a temperature-dependent structural transition in V2O3 may be used to tune the magnetic anisotropy in an adjacent ferromagnetic thin film.

关键词： Anisotropic magnetoresistance Magnetic anisotropy Magnetization switching Magnetoresistance Magnetostriction Magnetotransport Microstructure Strain Structural phase transition Bilayer films Functional materials Magnetic systems Thin films Ferromagnetic resonance Microwave techniques Resistivity measurements X-ray diffraction

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Opto-thermoelectric pulling of light-absorbing particles

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Light(science & Applications) 2020年第1期9卷 1686-1696页

作者： Linhan Lin Pavana Siddhartha Kollipara Abhay Kotnala Taizhi Jiang Yaoran Liu Xiaolei Peng Brian A.Korgel Yuebing Zheng Walker Department of Mechanical Engineering The University of Texas at AustinAustinTX 78712USA Materials Science&Engineering Program and Texas Materials Institute The University of Texas at AustinAustinTX 78712USA State Key Laboratory of Precision Measurement Technology and Instruments Department of Precision InstrumentTsinghua UniversityBeijing 100084People’s Republic of China McKetta Department of Chemical Engineering The University of Texas at AustinAustinTX 78712USA Department of Electrical and Computer Engineering The University of Texas at AustinAustinTX 78712USA

Optomechanics arises from the photon momentum and its exchange with low-dimensional *** is well known that optical radiation exerts pressure on objects,pushing them along the light ***,optical pulling of an object against the light path is still a counter-intuitive ***,we present a general concept of optical pulling-opto-thermoelectric pulling(OTEP)—where the optical heating of a light-absorbing particle using a simple plane wave can pull the particle itself against the light *** irradiation orientation-directed pulling force imparts self-restoring behaviour to the particles,and three-dimensional(3D)trapping of single particles is achieved at an extremely low optical intensity of 10^(−2)mWμm^(−2).Moreover,the OTEP force can overcome the short trapping range of conventional optical tweezers and optically drive the particle flow up to a macroscopic *** concept of selfinduced opto-thermomechanical coupling is paving the way towards freeform optofluidic technology and lab-on-achip devices.

关键词： absorbing light trapping

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Optimal Planning of Hybrid Energy Storage Systems using Curtailed Renewable Energy through Deep Reinforcement Learning

arXiv

引用

arXiv 2022年

作者： Kang, Dongju Kang, Doeun Hwangbo, Sumin Niaz, Haider Lee, Won Bo Liu, J. Jay Na, Jonggeol School of Chemical and Biological Engineering Seoul National University Gwanak-ro 1 Gwanak-gu Seoul08826 Korea Republic of Department of Chemical Engineering and Materials Science Ewha Womans University Seoul03760 Korea Republic of Graduate Program in System Health Science and Engineering Ewha Womans University Seoul03760 Korea Republic of Department of Chemical Engineering Pukyong National University Busan48513 Korea Republic of

Energy management systems (EMS) are becoming increasingly important in order to utilize the continuously growing curtailed renewable energy. Promising energy storage systems (ESS), such as batteries and green hydrogen should be employed to maximize the efficiency of energy stakeholders. However, optimal decision-making, i.e., planning the leveraging between different strategies, is confronted with the complexity and uncertainties of large-scale problems. Here, we propose a sophisticated deep reinforcement learning (DRL) methodology with a policy-based algorithm to realize the real-time optimal ESS planning under the curtailed renewable energy uncertainty. A quantitative performance comparison proved that the DRL agent outperforms the scenario-based stochastic optimization (SO) algorithm, even with a wide action and observation space. Owing to the uncertainty rejection capability of the DRL, we could confirm a robust performance, under a large uncertainty of the curtailed renewable energy, with a maximizing net profit and stable system. Action-mapping was performed for visually assessing the action taken by the DRL agent according to the state. The corresponding results confirmed that the DRL agent learns the way like what a human expert would do, suggesting reliable application of the proposed methodology. Copyright © 2022, The Authors. All rights reserved.

关键词： Reinforcement learning

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Antiferromagnetism and Ising ground states in the rare-earth garnet Nd3Ga5O12

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Physical Review B 2022年第1期105卷 014441-014441页

作者： N. Zhao H. Ge L. Zhou Z. M. Song J. Yang T. T. Li L. Wang Y. Fu Y. F. Zhang J. B. Xu S. M. Wang J. W. Mei X. Tong L. S. Wu J. M. Sheng Department of Physics Southern University of Science and Technology Shenzhen 518055 China Department of Chemistry Southern University of Science and Technology Shenzhen 518055 China Shenzhen Institute for Quantum Science and Engineering Shenzhen 518055 China Shenzhen Key Laboratory of Advanced Quantum Functional Materials and Devices Southern University of Science and Technology Shenzhen 518055 China Institute of High Energy Physics Chinese Academy of Sciences (CAS) Beijing 100049 China Spallation Neutron Source Science Center Dongguan 523803 China Academy for Advanced Interdisciplinary Studies Southern University of Science and Technology Shenzhen 518055 China

In this paper, we investigate the low temperature magnetic properties of the rare-earth garnet compound Nd3Ga5O12 in detail by means of magnetization, specific heat, and magnetocaloric effect measurements. The magnetic thermal properties along with the crystal field calculations reveal that the Nd3+ ions form into a frustrated hyper-kagome lattice with connected triangles have an Ising-like ground state with the easy axis along the local [100], [010], and [001] directions. Instead of a quantum spin liquid ground state, an antiferromagnetically ordered state is found below TN=0.52K. With applying field in the [111] direction, the antiferromagnetic order is suppressed at the critical field of Bc=0.75T, and enhancement of the critical fluctuations with linear crossover behaviors is observed near the critical point.

关键词： Antiferromagnetism Magnetism Quantum criticality

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Effect of hydrocooling on postharvest storage of sorrel (Rumex acetosa L.)

Food Chemistry Advances

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Food Chemistry Advances 2023年 3卷

作者： Gomes, Bianca Almada Ferreira de Barros, Hanna Elísia Araújo Natarelli, Caio Vinicius Lima Zitha, Elídio Zaidine Maurício Carvalho, Elisângela Elena Nunes de Barros Vilas Boas, Eduardo Valério Food Science Department Federal University of Lavras P.O. Box 3037 Minas Gerais Lavras 37200-900 Brazil Graduate Program in Materials Science and Engineering Federal University of São Carlos São Paulo São Carlos 13565-905 Brazil

The objective of this work was to determine the effect of the binomial time/temperature of hydrocooling (10 and 20 min at 0 °C, 10 °C, and 20 °C) on the shelf life of sorrel, a non-conventional vegetable. The experimental design was entirely randomized in a 2 × 3 × 6 factorial scheme with three repetitions. The vegetables were stored at 10±1 °C and 99% relative humidity for 10 days. The effects of time and temperature of hydrocooling on physical and chemical characteristics were observed. The degradation of bioactive compounds was higher in the control samples and samples hydrocooled at 0 °C, resulting in lower antioxidant capacity at 10 days. Hydrocooling at 20 °C for 10 min maintained the color of the vegetables until the tenth day, with a chlorophyll content of 34.54 mg.100 g⁻¹, related to the reduction of the respiration rate and weight loss. Hydrocooled sorrel for 20 min at the same temperature showed a vitamin C content of 63.71 mg.100 g⁻¹ and total phenolics of 249.57 mg of EAG.100 g⁻¹ of fresh matter, by the Fast Blue method. Thus, 20 °C for 10 or 20 min was the most efficient parameter for preserving sorrel samples. © 2023

关键词： Artificial neural network Bioative compounds Postharvest losses Pre-cooling. Shelf life Unconventional vegetable

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A First-Principles and Calphad-Assisted Phase-Field Model for Microstructure Evolution: Application to Mo-V Binary Alloy Systems

SSRN

引用

SSRN 2023年

作者： Thakur, Abhishek Kumar Kovacevic, Sasa Manga, Venkateswara Rao Deymier, Pierre Alix Muralidharan, Krishna Department of Materials Science and Engineering University of Arizona TucsonAZ85721 United States Department of Civil and Environmental Engineering Imperial College London LondonSW7 2AZ United Kingdom Lunar and Planetary Laboratory University of Arizona TucsonAZ85721 United States Graduate Interdisciplinary Program in Applied Mathematics India

A multiscale computational framework combining the first-principles calculations and the CALPHAD approach with the phase-field method is presented to simulate the microstructure evolution in multicomponent steel alloys. We demonstrate the potential of the framework by predicting the microstructural evolution in elastically periodic arrays of the Mo-V binary sub-system. The framework utilizes the first-principles calculations using special quasi-random structures. Hitherto unavailable thermodynamic and material properties of the alloy are obtained by employing the first-principles calculations and the CALPHAD approach and fed into the phase-field model to predict the microstructure evolution at different temperatures within the miscibility gap region. In addition to the temperature and cooling rates, the model incorporates the role of mechanical fields in decomposition kinetics in the Mo-V binary alloy system. Regimes for temperatures and cooling rates at which spinodal decomposition occurs are identified. Applying external loading leads to directional phase separation in the Mo-V binary system. The elastic inhomogeneity in terms of material properties between the two phases initiates the directional alignment while eigenstrains and applied external loading control the degree of alignment. The framework developed is general and extendable to higher multicomponent sub-systems in steel alloys. © 2023, The Authors. All rights reserved.

关键词： Temperature

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Microalgal-mediated circular reuse of polymer membrane manufacturing wastewater

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Sustainability science and Technology 2025年第1期2卷 014002-014002页

作者： Sebastian Overmans Barbara Bastos de Freitas Martin Gede Claudia Oviedo Gyorgy Szekely Kyle J Lauersen Bioengineering Program Biological and Environmental Sciences and Engineering Division (BESE) King Abdullah University of Science and Technology (KAUST) Thuwal Saudi Arabia Advanced Membranes and Porous Materials Center (AMPM) Physical Science and Engineering Division (PSE) King Abdullah University of Science and Technology (KAUST) Thuwal Saudi Arabia Chemical Engineering Program Physical Science and Engineering Division (PSE) King Abdullah University of Science and Technology (KAUST) Thuwal Saudi Arabia Environmental Science and Engineering Program Biological and Environmental Sciences and Engineering Division (BESE) King Abdullah University of Science and Technology (KAUST) Thuwal Saudi Arabia

Membrane technology has numerous applications in potable water generation, wastewater (WW) reuse, desalination, and many others. However, the manufacture of membranes generates solvent-contaminated WW, especially via the non-solvent-induced phase separation method. Here, we tested the suitability of different microalgae to clean up membrane manufacturing WW and reuse it for subsequent membrane fabrication. Specifically, we determined the toxicity of six organic solvents to four different microalgae (Tetradesmus, Scenedesmus, Chlamydomonas, and Galdieria) and observed that all were able to tolerate solvent contaminant concentrations common to membrane manufacture with varying growth rates. Removal of triethyl phosphate varied greatly between strains, with >50% removal by cultures of Chlamydomonas and Galdieria, whereas PolarClean was almost entirely removed by Chlamydomonas, Tetradesmus and Scenedesmus. The four algae mentioned above, and two others, Monoraphidium and Chlorella were additionally grown in contaminated membrane manufacture WW, where the Tetradesmus, Scenedesmus and Chlorella removed PolarClean entirely, regardless of CO₂ supplementation. The reuse of Scenedesmus-treated WW in a subsequent membrane fabrication did not affect the physicochemical properties of produced membranes, and the morphology of these membranes was comparable to control conditions. We observed that using photosynthetic microbes to clean membrane manufacture WW enables the generation of their valuable biomasses and the reuse of treated water for further membrane fabrication. Our results indicate that coupling biodegradable solvents and algal cultivation can enable circularity and reduce solvent emissions from membrane manufacturing processes.

关键词：

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Recent trend of metal promoter role for CO₂ hydrogenation to C₁ and C₂₊ products

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South African Journal of Chemical engineering 2023年 44卷 14-30页

作者： Sholeha, Novia Amalia Holilah, Holilah Bahruji, Hasliza Ayub, Athirah Widiastuti, Nurul Ediati, Ratna Jalil, Aishah Abdul Ulfa, Maria Masruchin, Nanang Nugraha, Reva Edra Prasetyoko, Didik College of Vocational Studies Bogor Agricultural University (IPB University) Jalan Kumbang No. 14 Bogor 16151 Indonesia Research Center for Biomass and Bioproducts National Research and Innovation Agency of Indonesia (BRIN) Cibinong 16911 Indonesia Department Chemistry Faculty of Science and Data Analytics Institut Teknologi Sepuluh Nopember Kampus ITS Keputih Surabaya Sukolilo 60111 Indonesia Centre of Advanced Material and Energy Science Universiti Brunei Darussalam Jalan Tungku Link BE 1410 Brunei Darussalam Department of Chemical Engineering Faculty of Chemical and Energy Engineering Universiti Teknologi Malaysia 81310 UTM Skudai Johor Johor Bahru Malaysia Centre of Hydrogen Energy Institute of Future Energy Universiti Teknologi Malaysia Skudai 81310 UTM Skudai Johor Johor Bahru Malaysia Chemistry Education Study Program Faculty of Teacher Training and Education Sebelas Maret University Jl. Ir. Sutami 36A Surakarta 57126 Indonesia Research Collaboration Center for Biomass and Biorefinery between BRIN and Universitas Padjadjaran Jatinangor 45363 Indonesia Department of Chemical Engineering Faculty of Engineering Universitas Pembangunan Nasional “Veteran” Jawa Timur East Java Surabaya 60294 Indonesia

CO2 hydrogenation as sustainable route for generation of value-added carbon feedstock is identified as green pathway for mitigation of greenhouse gasses emission. CO2 methanation is one of the promising solutions, whi... 详细信息

CO₂ hydrogenation as sustainable route for generation of value-added carbon feedstock is identified as green pathway for mitigation of greenhouse gasses emission. CO₂ methanation is one of the promising solutions, which only requires reactions at atmospheric pressure while utilizing metal catalysts to overcome kinetic limitations. Metal catalysts can be promoted to alter reducibities, CO₂ adsorption capacities, and H_2[sbnd]CO₂ dissociation potential. The role of metal promoter such as rare earth elements (Ce, Mn, Co, and La) and alkali and alkali earth metal (Li, Na, Ca, and K) will be discussed within the scope of CO₂ methanation. The aspect of catalysts modification towards hydrogen dissociation potential and surface oxygen vacancy will be emphasized to enhance selectivity for methane. Another pathway for CO₂ hydrogenation is via further conversion into longer chain molecules such as olefin and ethanol. The benefit of metal promoter will be discussed in this review on the effect towards promoting C[sbnd]C coupling reaction for producing longer chain alcohol and light olefin. The strategies to develop active catalysts for the coupling reaction of C[sbnd]C will be emphasized with the promoter introduction. For the hydrogenation of CO₂ to longer chain molecules, the main metal catalysts Ni, Pd, Rh, and Co, and their modification with promoter such as Ga, Cu, and alkali metal Na, K will be discussed. A critical analysis of the CO₂ methanation mechanism and further C[sbnd]C reaction to longer chain molecules will be discussed, particularly the effect of metal promoters to stabilize the intermediate and maneuver the catalytic reaction pathway into the desired products. © 2023 The Author(s)

关键词： C1 products C2+ products CO2 Hydrogenation Metal promoter

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Theoretical insights into the chemical bonding, electronic structure, and spectroscopic properties of the lanarkite Pb2SO5 structure

arXiv

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arXiv 2023年

作者： Fabris, Guilherme S.L. Ferrer, Mateus M. Sambrano, Julio R. Almeida, Cláudio R.R. Paskocimas, Carlos A. La Porta, Felipe A. Graduate Program in Materials Science and Engineering Technological Development Center Universidade Federal de Pelotas RS Pelotas96010-610 Brazil Modeling and Molecular Simulation Group São Paulo State University Bauru São Paulo17033-360 Brazil Department of Materials Engineering Federal University of Rio Grande do Norte RN Natal59078-970 Brazil Postgraduate Program in Science and Engineering of Materials Federal University of Rio Grande do Norte RN Natal59078-970 Brazil Federal University of Technology - Paraná Nanotechnology and Computational Chemistry Laboratory Avenida dos Pioneiros 3131 CEP PR Londrina86036-370 Brazil State University of Londrina Post-Graduation Program in Chemistry Rodovia Celso Garcia Cid 445 km 380 CEP PR Londrina86057-970 Brazil

Lanarkite is a mineral formed by a combination of lead, sulphur, and oxygen atoms arranged in the general chemical formula Pb2SO5 (PSO) that crystallises with monoclinic symmetry (belonging to the C2/m space group, No. 12). This mineral was first discovered in Lanarkshire, Scotland and was named after its location. PSO has a unique structure comprising alternating penta-coordinated lead [PbO5] and tetra-coordinated sulphur [SO4] clusters. This lanarkite-type structure has recently attracted significant scientific interest and has been the focus of the superconducting material research community. However, its chemistry needs to be explored further. This article presents a comprehensive investigation on the chemical bonding, electronic structure, and spectroscopic properties of the lanarkite-type PSO structure from a computational perspective. Thus, different functionals in the DFT (e.g., PBE, PBE0, PBESOL, PBESOL0, BLYP, WC1LYP37, and B3LYP) were assessed to accurately predict their fundamental properties. All the DFT calculations were performed using a triple-zeta valence plus polarisation basis set. Among all the DFT functionals tested in this study, PBE showed the best agreement with the experimental data available in the literature. Our results also reveal that the [PbO5] clusters are formed with three Pb–O bond lengths, with values of about 2.32, 2.59, and 2.84 Å, respectively, while the [SO4] clusters have the same S–O bond length of 1.57 Å. We performed a complete topological analysis of this system to comprehend these structural differences. Additionally, the PSO structure has an indirect band gap energy of 2.9 eV and an effective mass ratio (mℎ∗ /me∗) of about 0.415 (using PBE calculations) which may, in principle, indicate a low recombination of electron-hole pairs in the lanarkite structure. Therefore, we believe that a detailed understanding of their electronic structures, spectroscopic properties as well as their chemical bonding is critically important

关键词： Lead compounds

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Exploring the energy landscape of aluminas through machine learning interatomic potential

arXiv

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arXiv 2024年

作者： Zhang, Lei Luo, Wenhao Liu, Renxi Chen, Mohan Yan, Zhongbo Cao, Kun Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices State Key Laboratory of Optoelectronic Materials and Technologies Center for Neutron Science and Technology School of Physics Sun Yat-Sen University Guangzhou510275 China HEDPS CAPT College of Engineering Peking University Beijing100871 China Academy for Advanced Interdisciplinary Studies Peking University Beijing90871 China AI for Science Institute Beijing100080 China

Aluminum oxide (alumina, Al2O3) exists in various structures and has broad industrial applications. While the crystal structure of α-Al2O3 is well-established, those of transitional aluminas remain highly debated. In this study, we propose a universal machine learning interatomic potential (MLIP) for aluminas, trained using the neuroevolution potential (NEP) approach. The dataset is constructed through iterative training and farthest point sampling, ensuring the generation of the most representative configurations for an exhaustive sampling of the potential energy surface. The accuracy and generality of the potential are validated through simulations under a wide range of conditions, including high temperatures and pressures. A phase diagram is presented that includes both transitional aluminas and α-Al2O3 based on the NEP. We also successfully extrapolate the phase diagram of aluminas under extreme conditions ([0, 4000] K and [0, 200] GPa ranges of temperature and pressure, respectively), while maintaining high accuracy in describing their properties under more moderate conditions. Furthermore, combined with our developed structure search workflow, the NEP provides an evaluation of existing γ-Al2O3 structure models. The NEP developed in this work enables highly accurate dynamic simulations of various aluminas on larger scales and longer timescales, while also offering new insights into the study of transitional aluminas structures. Copyright © 2024, The Authors. All rights reserved.

关键词： Aluminum oxide

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