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arXiv 2023年

作者： Krueper, Gregory Cohen, Lior Gopinath, Juliet T. Department of Physics University of Colorado Boulder BoulderCO80309 United States Department of Electrical Computer and Energy Engineering University of Colorado Boulder BoulderCO80309 United States Materials Science and Engineering Program University of Colorado Boulder BoulderCO80309 United States

We present an innovative, platform-independent concept for multiparameter sensing where the measurable parameters are in series, or cascaded, enabling measurements as a function of position. With temporally resolved detection, we show that squeezing can give a quantum enhancement in sensitivity over that of classical states by a factor of e2r, where r ≈ 1 is the squeezing parameter. As an example, we have modeled an interferometer that senses multiple phase shifts along the same path, demonstrating a maximal quantum advantage by combining a coherent state with squeezed vacuum. Further classical modeling with up to 100 phases shows linear scaling potential for adding nodes to the sensor. The approach can be applied to remote sensing, geophysical surveying, and infrastructure monitoring. © 2023, CC BY.

关键词： Interferometers

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aflow++: A C++ framework for autonomous materials design

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Computational materials science 2023年 217卷

作者： Oses, Corey Esters, Marco Hicks, David Divilov, Simon Eckert, Hagen Friedrich, Rico Mehl, Michael J. Smolyanyuk, Andriy Campilongo, Xiomara van de Walle, Axel Schroers, Jan Kusne, A. Gilad Takeuchi, Ichiro Zurek, Eva Nardelli, Marco Buongiorno Fornari, Marco Lederer, Yoav Levy, Ohad Toher, Cormac Curtarolo, Stefano Department of Mechanical Engineering and Materials Science Duke University DurhamNC27708 United States Center for Autonomous Materials Design Duke University DurhamNC27708 United States LIFT American Lightweight Materials Manufacturing Innovation Institute DetroitMI48216 United States Institute of Ion Beam Physics and Materials Research Helmholtz-Zentrum Dresden-Rossendorf Dresden01328 Germany Theoretical Chemistry Technische Universität Dresden Dresden01062 Germany Institute of Solid State Physics Technische Universität Wien WienA-1040 Austria School of Engineering Brown University ProvidenceRI02912 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06511 United States Materials Measurement Science Division National Institute of Standards and Technology GaithersburgMD20899 United States Department of Materials Science and Engineering University of Maryland College Park MD20742 United States Department of Chemistry State University of New York at Buffalo BuffaloNY14260 United States Department of Physics and Department of Chemistry University of North Texas DentonTX76203 United States Santa Fe Institute Santa FeNM87501 United States Department of Physics and Science of Advanced Materials Program Central Michigan University Mount PleasantMI48859 United States Department of Physics NRCN Beer-Sheva84190 Israel Department of Materials Science and Engineering and Department of Chemistry and Biochemistry University of Texas at Dallas RichardsonTX75080 United States

The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets — facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems. © 2022

关键词： Machine learning

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Mesoscopic simulation of heat transfer and fluid flow in laser powder bed additive manufacturing 26

Mesoscopic simulation of heat transfer and fluid flow in las...

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26th Annual International Solid Freeform Fabrication Symposium - An Additive Manufacturing Conference, SFF 2015

作者： Lee, Y.S. Zhang, W. Welding Engineering Program Department of Materials Science and Engineering Ohio State University ColumbusOH43221 United States

Laser-powder bed fusion (L-PBF) additive manufacturing involves complex physics such as heat transfer and molten metal flow, which have a significant influence on the final build quality. In this study, transport phenomena based modeling is used to provide a quantitative understanding of complex molten pool transients. In particular, a three dimensional (3D), transient numerical model is developed for L-PBF additive manufacturing by solving the governing partial differential equations of mass, momentum and energy conservation. The individual powder particles are resolved using the volume of fluid method (VOF) method with a fine mesh size of 3 μm (thus at meso-scale). The powder particle arrangement including particle size distribution and packing density are taken into account in placement of individual particles calculated using discrete element method. Moreover, the model considers Marangoni shear stress, an important driving force for molten metal flow. The numerical model is used to quantitatively study the effect of laser power, scanning speed, and powder size distribution on the bead geometry and formation of balling defect. © SFF *** rights reserved.

关键词： Particle size analysis

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Embedded, micro-interdigitated flow fields in high areal-loading intercalation electrodes towards seawater desalination and beyond

arXiv

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arXiv 2023年

作者： Do, Vu Q. Reale, Erik R. Loud, Irwin Rozzi, Paul G. Tan, Haosen Willis, David A. Smith, Kyle C. Department of Mechanical Science and Engineering University of Illinois at Urbana-Champaign UrbanaIL United States Department of Mechanical Engineering Southern Methodist University DallasTX75275 United States Department of Materials Science and Engineering University of Illinois at Urbana-Champaign UrbanaIL United States Computational Science and Engineering Program University of Illinois at Urbana-Champaign UrbanaIL United States Beckman Institute for Advanced Science and Technology University of Illinois at Urbana-Champaign UrbanaIL United States

Faradaic deionization (FDI) is a promising technology for energy-efficient water desalination using porous electrodes containing redox-active materials. Herein, we demonstrate for the first time the capability of a symmetric FDI flow cell to produce freshwater (100X lower permeability compared to common redox-flow battery electrodes, for which millimetric flow-channel widths were used exclusively in the past. Total desalination thermodynamic energy efficiency (TEE) was improved by more than ten-fold relative to unpatterned electrodes: 40.0% TEE for brackish water, 11.7% TEE for hypersaline brine, and 7.4% TEE for seawater-salinity feeds. Water transport between diluate and brine streams and charge efficiency losses resulting from (electro)chemical effects are implicated as limiting energy efficiency and water recovery, motivating their investigation for enhancing future FDI performance. Copyright © 2023, The Authors. All rights reserved.

关键词： Energy efficiency

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Plasma Surface Treatment of Cocr and Nicr Alloys for Dental Applications: A Comparative Study of Tin Thin Film Plasma Deposition Techniques

SSRN

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SSRN 2024年

作者： Balica, Naasson Matheus Pereira Almeida, Larissa Solano Rossino, Luciana Sgarbi Pupim, Denise Monção, Renan Matos Costa, Thércio Henrique de Carvalho Santos, Rafaela Luiz Pereira Sousa, Rômulo Ribeiro Magalhães Nunes, Lívio César Cunha Federal University of Piauí Technology Center Graduate Program in Materials Science and Engineering Avenida Universitária s/n Ininga PI Teresina Brazil Federal University of São Carlos Graduate Program in Materials Science SP Sorocaba Brazil University of São Paulo Ribeirão Preto School of Dentistry Avenida do Café SP Ribeirão Preto Brazil Federal University of Rio Grande do Norte Technology Center Department of Mechanical Engineering University Campus Natal RN Lagoa Nova Brazil

Cobalt-chromium and nickel-chromium metal alloys have been widely used as biomaterials in the dental field due to their excellent physical-mechanical properties and biocompatibility, as well as the low cost of the material. However, in unfavorable environments, such as the oral cavity, these dental prostheses composed of these alloys can suffer alterations in their structure where they can undergo rapid changes with the surface corrosion process, which can vary with pH and temperature, typically related to changes in the patient's diet. The aim of this work is to carry out a comparative study between the cathodic cage (CC) and hollow cathode (HC) methods, in which a plasma deposition treatment of titanium nitride (TiN) thin films was carried out on CoCr and NiCr samples, in order to subsequently evaluate their surface characteristics and tribological properties in relation to each method. The samples were characterized using X-ray diffractometry (XRD), scanning electron microscopy (SEM/EDS) and micro abrasive wear tests on each sample from the three groups of alloys mentioned. It was observed that the TiN films provided greater resistance to the wear mechanism of all the samples, where through the characterizations, it can be inferred that the two types of treatments carried out on the samples are suitable for dental applications. © 2024, The Authors. All rights reserved.

关键词： Chromium alloys

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Microstructural Effect on the Corrosion Behavior of N- and P-Type Bismuth Tellurides Fabricated by Induction Melting

SSRN

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SSRN 2023年

作者： El-Makaty, Farah M. Nawaz, Muddasir Shakoor, R. Abdul Hammuda, Abdelmagid Youssef, Khaled M. Mechanical and Industrial Engineering Department Qatar University Doha2713 Qatar Qatar University Doha2713 Qatar Materials Science and Technology Graduate Program College of Arts and Sciences Qatar University Doha2713 Qatar

Numerous efforts have been made to understand and enhance the thermoelectric properties of bismuth telluride alloys. However, limited studies have been reported to investigate the corrosion behavior of these alloys and their suitability for industrial applications. This paper examines the corrosion behavior of three different bismuth telluride alloys prepared by induction melting: pristine Bi2Te3, n-type Bi2Te2.55Se0.45, and p-type Bi0.6Sb1.4Te3. The electrochemical response of the samples is tested in 3.5 wt.% NaCl solution at room temperature. Potentiodynamic polarization curves (Tafel plots) revealed that the n-type sample formed a passive layer compared to the pristine and the p-type samples, which showed pitting corrosion. The different trends observed in the samples were related to their evolved microstructures, where fingerprint-like features in the pristine and the p-type samples showed high susceptibility to pitting corrosion. In contrast, a unique needle-like microstructure of the n-type samples acted as nucleation sites for passive layer formation causing higher corrosion resistance in this sample. © 2023, The Authors. All rights reserved.

关键词： Microstructure

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Nanostructured Carbon as Highly Efficient and Stable Anodes for Ethylene Production and Power Generation in Protonic Ceramic Electrochemical Cells

SSRN

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SSRN 2022年

作者： Wang, Min Wang, Lu-Cun Li, Haixia Wu, Wei Gao, Guanhui Chen, Fanglin Yang, Yingchao Ding, Dong Energy & Environmental Science and Technology Idaho National Laboratory Idaho FallsID83401 United States Department of Mechanical Engineering The University of Maine OronoME04469 United States Department of Mechanical Engineering University of South Carolina ColumbiaSC29208 United States Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States

Protonic ceramic electrochemical cells (PCECs) have the potential in reducing the energy input and carbon emissions in ethylene production from ethane dehydrogenation. The performance of conventional perovskite-based anode materials for ethane conversion in PCECs is limited by their low active surface area and proneness to coke deposition. In this work, for the first time, we demonstrate the use of aligned carbon nanotube forests (CNTFs) as a novel anode material for an ethane fueled PCEC to co-produce ethylene and electricity. The CNTF electrode was grown on the electrolyte by the chemical vapor deposition (CVD) method. Highly dispersed iron carbide nanoparticles are formed in situ on the CNTFs during the CVD process, acting as highly active catalysts for ethane dehydrogenation. The novel PCECs show superior catalytic and electrochemical performances to that using conventional perovskite-based anodes. The cell also exhibits excellent durability and anti-coking abilities within 100 h test. This work showcases the promising application of nanostructured carbon, a new class of non-perovskite materials, as the multifunctional electrode materials for PCECs. © 2022, The Authors. All rights reserved.

关键词： Carbon nanotubes

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Sustainable usage and the positive environmental impact of wastewater dry sludge-based concrete

Results in Materials

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Results in materials 2022年 16卷

作者： Mojapelo, K.S. Kupolati, W.K. Ndambuki, J.M. Sadiku, E.R. Ibrahim, I.D. Maepa, C. Department of Civil Engineering Tshwane University of Technology Pretoria South Africa Institute for NanoEngineering Research (INER) and Department of Chemical Metallurgy and Materials Engineering Tshwane University of Technology Pretoria South Africa Department of Natural Science University of Pretoria Pretoria South Africa

The paper examined the application of dry sludge in lightweight concrete and the associated environmental risk. Population growth has led to an increase in residential and commercial wastewater sludge production. The sludge is deposited to a designated landfill, rendering the area useless and posing a significant environmental concern. The need for lightweight materials in the construction sector has resulted in the replacement of dry sludge for the basic components of concrete. The dry sludge came from the WWTPs in Polokwane, Limpopo Province, was used as a partial replacement for sand (0, 2.5, 5, 7.5, 10, and 12.5%) in concrete. The samples prepared were cured in wastewater and potable water. The results showed that the partial substitution of sand with 7.5% dry sludge in the concrete mixture reached the desired strength of 25 MPa and can be employed in lightweight structural applications. Concrete cube unit weight reduced by 0.8, 2.3, 2.6, 3.9, and 4.6% compared to the control sample when 2.5, 5.0, 7.5, 10, and 12.5% of the sand was substituted with sludge. Concrete samples were submerged in iodine water for 28, 90, and 140 days to test the leaching of soluble metals. The levels of heavy metals in leachate were far lower than what the US Environmental Protection Agency (EPA) considers to be safe, under their Toxicity Characteristics Leaching Procedure (TCLP) standards. EDX examination of sludge-based concrete showed a considerable reduction in metal weight percentage, the concentration of calcium increased by 69% due to the cement content;and the blending aggregates lowered silicon, aluminium, iron, and potassium by 33.3, 66.9, 34.2, and 77.8%. Therefore, wastewater may be utilized as a concrete curing medium, and sludge-based concrete can be used for simple structural repairs at WWTPs. © 2022 The Authors

关键词： Environmental impact Heavy metal Lightweight concrete Sludge-based concrete Wastewater dry sludge

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Epitaxial Strain Tuning of Er3+ in Ferroelectric Thin Films

arXiv

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arXiv 2024年

作者： Brinn, Rafaela M. Meisenheimer, Peter Dandu, Medha Barré, Elyse Behera, Piush Raja, Archana Ramesh, Ramamoorthy Stevenson, Paul Department of Chemistry University of California BerkeleyCA94720 United States Department of Materials Science and Engineering University of California BerkeleyCA94720 United States Molecular Foundry Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Kavli Energy NanoScience Institute University of California Berkeley BerkeleyCA94720 United States Department of Physics University of California BerkeleyCA94720 United States Department of Materials Science and Nanoengineering Rice University HoustonTX77251 United States Department of Physics and Astronomy Rice University HoustonTX77251 United States Department of Physics Northeastern University BostonMA02115 United States Quantum Materials & Sensing Institute Northeastern University BostonMA02115 United States

Er3+ color centers are promising candidates for quantum science and technology due to their long electron and nuclear spin coherence times, as well as their desirable emission wavelength. By selecting host materials with suitable, controllable properties, we introduce new parameters that can be used to tailor the Er3+ emission spectrum. PbTiO3 is a well-studied ferroelectric material with known methods of engineering different domain configurations through epitaxial strain. By distorting the structure of Er3+-doped PbTiO3 thin films, we can manipulate the crystal fields around the Er3+ dopant. This is resolved through changes in the Er3+ resonant fluorescence spectra, tying the optical properties of the defect directly to the domain configurations of the ferroelectic matrix. Additionally, we are able to resolve a second set of peaks for films with in-plane ferroelectric polarization. We hypothesize these results to be due to either the Er3+ substituting different sites of the PbTiO3 crystal, differences in charges between the Er3+ dopant and the original substituent ion, or selection rules. Systematically studying the relationship between the Er3+ emission and the epitaxial strain of the ferroelectric matrix lays the pathway for future optical studies of spin manipulation by altering ferroelectric order parameters. © 2024, CC BY-NC-SA.

关键词： Ferroelectric thin films

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Active modulation of valley excitons in a monolayer WSe2 via chiral metamaterials

Active modulation of valley excitons in a monolayer WSe2 via...

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2020 Frontiers in Optics Conference, FiO 2020

作者： Wu, Zilong Zheng, Yuebing Walker Department of Mechanical Engineering Materials Science and Engineering Program Texas Materials Institute University of Texas at Austin AustinTX78712 United States

Active modulation of handedness-selective valley dynamics in a monolayer WSe2 is achieved using plasmonic moiré chiral metamaterials (MCMs) with strong and dynamically tunable optical chirality. © OSA 2020 &... 详细信息

ISBN: (纸本)9781943580804

关键词： Monolayers

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