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screening outstanding mechanical properties and low lattice thermal conductivity using global attention graph neural network

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Energy and AI 2023年第4期14卷 360-370页

作者： joshua Ojih Alejandro Rodriguez Jianjun Hu Ming Hu Department of Mechanical Engineering University of South CarolinaSC 29208United States of America Department of Computer science and Engineering University of South CarolinaSC 29208United States of America

Mechanical and thermal properties of materials are extremely important for various engineering and scientific fields such as energy conversion and energy ***,the characterization of these properties via high throughput screening at the quantum level,although highly accurate,is inefficient and very time-and *** contrast,prediction at the classical level is highly efficient but less *** deploy scalable global attention graph neural network for accurate prediction of mechanical properties which bridge the gap between the accuracy at the quantum level and efficiency at the classical *** 10,158 elastic constants as training data,we trained the models on 5 mechanical properties,namely bulk modulus,shear modulus,Young’s modulus,Poisson’s ratio,and *** the trained model,we predicted 775,947 data in search of materials with ultrahigh *** further verify the recommended ultrahigh hardness materials by high precision first principles calculations,and we finally identify 20 structures with extreme hardness close to diamond,the hardest material in *** those,two super hard materials are completely new and have not been reported in literature so *** further recommend potential materials from bulk modulus prediction to search low lattice thermal conductivity,and we verify the thermal conductivity of 338 structures with first *** results demonstrate that one can find materials with extreme mechanical properties recommended by graph neural network and low thermal conductivity material from bulk modulus prediction with minimal first principles calculations of the structures(only 0.04%)in the large-scale materials pool.

关键词： Graph neural network Machine learning Mechanical properties Ultrahigh hardness Lattice thermal conductivity DFT calculations Novel material discovery

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Artificial neural networks based on memristive devices

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science China(Information sciences) 2018年第6期61卷 145-158页

作者： Vignesh RAVICHANDRAN Can LI Ali BANAGOZAR J.joshua YANG Qiangfei XIA Department of Electrical and Computer Engineering University of Massachusetts

The advent of memristive devices and the continuing research and development in the field of neuromorphic computing show great potential as an alternative to traditional von Neumann computing and bring us ever closer to realizing a true "thinking machine". Novel neural network architectures and algorithms inspired by the brain are becoming more and more attractive to keep up with computing needs,relying on intrinsic parallelism and reduced power consumption to outperform more conventional computing methods. This article provides an overview of various neural networks with an emphasis on networks based on memristive emerging devices, with the advantages of memristor neural networks compared with pure complementary metal oxide semiconductor(CMOs) implementations. A general description of neural networks is presented, followed by a survey of prominent CMOs networks, and finally networks implemented using emerging memristive devices are discussed, along with the motivation for developing memristor based networks and the computational potential these networks possess.

关键词： neuromorphic computing memristors neural networks

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Efficiently searching extreme mechanical properties via boundless objective-free exploration and minimal first-principles calculations

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npj Computational Materials 2022年第1期8卷 1336-1347页

作者： joshua Ojih Mohammed Al-Fahdi Alejandro David Rodriguez Kamal Choudhary Ming Hu Department of Mechanical Engineering University of South CarolinaColumbiaSC29208USA Materials science and Engineering Division National Institute of Standards and TechnologyGaithersburgMD20899USA

Despite the machine learning(ML)methods have been largely used recently,the predicted materials properties usually cannot exceed the range of original training *** deployed a boundless objective-free exploration approach to combine traditional ML and density functional theory(DFT)in searching extreme material *** combination not only improves the efficiency for screening large-scale materials with minimal DFT inquiry,but also yields properties beyond original training *** use stein novelty to recommend outliers and then verify using *** data are then added into the training dataset for next round *** test the loop of training-recommendation-validation in mechanical property *** screening 85,707 crystal structures,we identify 21 ultrahigh hardness structures and 11 negative Poisson’s ratio *** algorithm is very promising for future materials discovery that can push materials properties to the limit with minimal DFT calculations on only~1%of the structures in the screening pool.

关键词： extreme properties minimal

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Potential gains from spatially-explicit coordinated planning between two large public ownerships in Minnesota

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Forest Ecosystems 2019年第2期6卷 102-118页

作者： joshua J. Bixby Howard M. Hoganson Yu Wei Geospatial systems Engineer USDA Forest Service Chief’s Information Office Duluth MN USA Department of Forest Resources and North Central Research and Outreach Center University of MN Grand Rapids MN USA Department of Forest and Rangeland stewardship Colorado State University Fort Collins CO USA

Background: Many forested landscapes throughout the world involve a mix of public forest ownerships. This study explores how coordinated planning between two large public ownerships in Minnesota impact landscape-level trade-offs between timber production and production of core area of older forest (COF) for the region. COF is an important metric for wildlife habitat. Emphasis is on better understanding potential gains from both coordinated planning at the site-level where ownerships share stand boundaries and from coordinated planning at a broader policy level involving assumed values of COF by the public. The study area involves over 300,000 ha, 150,000 analysis units and a 100-year planning horizon. Methods: The concept of influence zones in modeling spatial interdependencies is described and implemented. The estimated total area of COF is assumed an important landscape metric for forest wildlife habitat condition for each forest planning period. COF has a surrounding buffer protecting it from edge effects. Differences are recognized between COF condition requirements and condition requirements for its surrounding buffer. A spatially-explicit harvest scheduling model is applied in conjunction with moving-windows techniques of GIs to find near-optimal management schedules for the large landscape. Multiple model runs are examined to help better understand both potential gains from coordinated planning and the tradeoffs between timber and COF production. Results: Results demonstrate the ability to incorporate detailed site-level COF production into management scheduling models for broad, landscape-level planning. For the study area and the assumed COF definitions, substantially larger gains are possible by coordinating COF value assumptions across ownerships, as compared to possible gains from coordinating on-the-ground management activities in areas involving shared stand boundaries. Although a general map of the study area shows a definite intertwining mosaic of ow

关键词： Core area Interior space Trade-off analysis Multiple objective planning Landscape planning Harvest scheduling Patch size Production possibilities frontier

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Red cabbage washing with acidic electrolysed water:effects on microbial quality and physicochemical properties

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Food Quality and safety 2018年第4期2卷 229-237页

作者： Xia Chen sophia Jun Xue John shi Magdalena Kostrzynska joshua Tang Evelyne Guévremont sébastien Villeneuve Martin Mondor Guelph Research and Development Center Agriculture and Agri-Food Canada93 Stone Road WestOntario N1G 5C9Canada College of Food science and Engineering Yangzhou UniversityJiangsu 225127China saint-Hyacinthe Research and Development Centre 3600 boul.Casavant OuestQuébec J2S 8E3Canada

The effects of acidic electrolysed water(AEW)as‘green’technology on the microbiological and physicochemical properties of fresh-cut red cabbages were ***-cut red cabbages and artificially inoculated red cabbages with salmonella typhimurium DT104 were washed with distilled water(DW)and different available chlorine concentrations(ACC)of AEW for different *** treatments significantly reduced the populations of native aerobic bacteria,molds,and yeasts,and artificially inoculated *** DT104 compared with the DW-treated and untreated red cabbage *** effectiveness of AEW treatments was greatly enhanced with increasing ACC and treatment *** DT104 were not detected in the washing water that were collected after the red cabbages treated by *** surface colour,pH,and total phenolic contents did not significantly change when the red cabbages were washed with DW and AEW containing 100 mg/L available chlorine for 3 *** anthocyanin contents and antioxidant activities of red cabbage were significantly reduced by 18.5 per cent for cyanidin,22.1 per cent for pelargonidin,and 11.2 per cent for 2,2-diphenyl-1-picrylhydrazyl(DPPH)radical scavenging activity,however,the impacts on the nutritional benefits of red cabbage were considered as limited and *** optimal process condition of AEW for washing red cabbage was 100 mg/L ACC for 3 *** these conditions,most of the native microflora were inactivated,and artificially inoculated *** DT104 on the red cabbage were reduced by 40.2 per cent[3.67 log CFU/g(log10 colony-forming units per gram)]and with minimal losses of nutrients and antioxidant activity,as well as no requirement of decontamination treatment on the washing water after AEW treatment.

关键词： red cabbage acidic electrolysed water decontamination s.typhimurium DT104 physicochemical characteristics anthocyanins

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Depression and psychiatric disease associated with outcomes after anterior cruciate ligament reconstruction

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World Journal of Orthopedics 2016年第11期7卷 709-717页

作者： Hao-Hua Wu Max Liu joshua s Dines John D Kelly Grant H Garcia Perelman school of Medicine University of Pennsylvania Jordan Medical Education Center stanford school of Medicine Hospital for special surger Department of Orthopaedic surgery University of Pennsylvania

While most patients with an anterior cruciate ligament(ACL) injury indicate satisfaction with surgical intervention, a significant proportion still do not return to pre-injury level of function or sport. Psychiatric comorbidities, such as depression, have recently been associated with poor clinical outcomes after ACL reconstruction(ACLR). To date, no article has yet examined how depression affects ACLR outcomes and how potential screening and intervention for psychological distress may affect postoperative activity level. The purpose of this review is to delineate potential relationships between depression and ACLR outcome, discuss clinical implications and identify future directions for research.

关键词： Depression Preoperative evaluation Anxiety Anterior cruciate ligament reconstruction Patient reported outcome Orthopedic surgery

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First principles insights into oxide/polymer composites: srTiO_(3) /polyaniline/graphene

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Journal of Materials science & Technology 2023年第35期166卷 250-260页

作者： Nathan D.Wood joshua s.Tse Jonathan M.skelton David J.Cooke Lisa J.Gillie stephen C.Parker Marco Molinari Department of Chemical sciences School of Applied SciencesUniversity of HuddersfieldHuddersfield HD13DHUK Department of Chemistry University of ManchesterManchester M139PLUK Department of Chemistry University of BathBath BA27AYUK

A detailed computational investigation,based on density functional theory,of the interaction of polyani-line(PANI)and graphene nanoribbons(GNRs)with srTiO_(3) is *** adsorption of PANI in var-ious oxidation states and co-adsorption with GNRs is found to be thermodynamically ***-sorbed PANI introduces N and C 2p states into the srTiO_(3) bandgap,while co-adsorption of PANI and GNRs leads to a bridging of the gap and semi-metallic behaviour,thus rendering the electrical properties highly sensitive to the loading of the GNRs/PANI in the *** the lattice dynamics of the composites predicts a 68-88%reduction in the lattice thermal conductivity due to reduced phonon group *** together,these findings provide insight into the growing number of experimental studies highlighting the enhanced thermoelectric performance of oxide-polymer composites and indicate co-adsorption with graphene as a facile direction for future research.

关键词： Polymer/inorganic composites Polyaniline/strontium titanate/graphene nanoribbon composites PANI/GNR/srTiO_(3)composites Thermoelectric composites Electrical transport Thermal conductivity1 Introduction

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Inhibition of African swine fever virus in liquid and feed by medium-chain fatty acids and glycerol monolaurate

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Journal of Animal science and Biotechnology 2021年第2期12卷 569-578页

作者： joshua A.Jackman Astghik Hakobyan Hovakim Zakaryan Charles C.Elrod school of Chemical Engineering Sungkyunkwan UniversitySuwon 16419Republic of Korea Group of Antiviral Defense Mechanisms Institute of Molecular Biology of NASYerevanArmenia Natural Biologics Inc. NewfieldNY 14867USA. Department of Animal science Cornell UniversityIthacaNY 14853USA

Background:The ongoing African swine fever virus(AsFv)epidemic has had a major impact on pig production globally and biosecurity efforts to curb AsFv infectivity and transmission are a high *** has been recently identified that feed and feed ingredients,along with drinking water,can serve as transmission vehicles and might facilitate transboundary spread of ***,it is important to test the antiviral activity of regulatory compatible,antiviral feed additives that might inhibit AsFv infectivity in *** promising group of feed additive candidates includes medium-chain fatty acids(MCFA)and monoglyceride derivatives,which are known to disrupt the lipid membrane surrounding certain enveloped viruses and ***:The antiviral activities of selected MCFA,namely caprylic,capric,and lauric acids,and a related monoglyceride,glycerol monolaurate(GML),to inhibit AsFv in liquid and feed conditions were investigated and suitable compounds and inclusion rates were identified that might be useful for mitigating AsFv in feed *** assays showed that all tested MCFA and GML inhibit *** was more potent than MCFA because it worked at a lower concentration and inhibited AsFv due to direct virucidal activity along with one or more other antiviral ***-dependent feed experiments further showed that sufficiently high GML doses can significantly reduce AsFv infectivity in feed in a linear manner in periods as short as 30 min,as determined by infectious viral titer ***-linked immunosorbent assay(ELIsA)experiments revealed that GML treatment also hinders antibody recognition of the membrane-associated AsFv p72 structural protein,which likely relates to protein conformational changes arising from viral membrane ***:Together,the findings in this study indicate that MCFA and GML inhibit AsFv in liquid conditions and that GML is also able to reduce AsFv infectivity in feed,which may help to curb disease tr

关键词： African swine fever virus Antiviral Feed pathogen mitigation MCFA Medium-chain fatty acids Monoglycerides

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Effects of financial development and capital accumulation on labor productivity in sub‑saharan Africa:new insight from cross sectional autoregressive lag approach

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Financial Innovation 2023年第1期9卷 1-18页

作者： joshua Dzankar Zoaka Hasan Gungor Department of Economics Faculty of Business and EconomicsEastern Mediterranean UniversityFamagustaNorth Cyprus

This study aims to shed light on the effects of financial development and accumula-tion of capital on the productivity of labor in the sub-sahara African region within the period of 1990–*** this work,we used the(dynamic)common correlated effects estimator-mean group and additional techniques such as cross-section autoregressive distributed lag to calibrate the sample into the African subregion to ensure *** findings reveal that financial progress in the region over time leads to an increase in productivity of labor and also the accumulation of ***,financial markets have a progressive impact on the productivity of labor within sub-saharan African *** extend the very limited literature on the nexus between financial development and labor productivity by incorporating capital accumulation into our model which has not been previously studied.

关键词： Productivity of labor Financial development Cs-ARDL Capital accumulation sub-saharan Africa

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Design strategies and applications of biomaterials and devices for Hernia repair

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Bioactive Materials 2016年第1期1卷 2-17页

作者： surge Kalaba Ethan Gerhard joshua s.Winder Eric M.Pauli Randy s.Haluck Jian Yang Department of Biomedical Engineering Materials Research InstituteThe Huck Institutes of the Life SciencesThe Pennsylvania State UniversityUniversity ParkPA 16802USA Department of surgery College of MedicineThe Pennsylvania State UniversityHersheyPA 17033USA

Hernia repair is one of the most commonly performed surgical procedures worldwide,with a multibillion dollar global *** design remains a critical challenge for the successful repair and prevention of recurrent hernias,and despite significant progress,there is no ideal mesh for every *** review summarizes the evolution of prostheses design toward successful hernia repair beginning with a description of the anatomy of the disease and the classifications of ***,the major milestones in implant design are *** encountered complications and strategies to minimize these adverse effects are described,followed by a thorough description of the implant characteristics necessary for successful ***,available implants are categorized and their advantages and limitations are elucidated,including non-absorbable and absorbable(synthetic and biologically derived)prostheses,composite prostheses,and coated *** review not only summarizes the state of the art in hernia repair,but also suggests future research directions toward improved hernia repair utilizing novel materials and fabrication methods.

关键词： Hernia repair Hernia mesh Hernia prosthesis Hernia Citric acid

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