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Predicting the synthesizability of crystalline inorganic materials from the data of known material compositions

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npj Computational Materials 2023年第1期9卷 733-743页

作者： evan R.Antoniuk Gowoon Cheon George Wang Daniel Bernstein William Cai evan J.Reed Materials science Division Physical and Life Sciences DirectorateLawrence Livermore National LaboratoryLivermoreCAUSA Department of Chemistry Stanford UniversityStanfordCAUSA Department of Applied Physics Stanford UniversityStanfordCAUSA Google Research Mountain ViewCAUSA Department of Physics Stanford UniversityStanfordCAUSA Department of Mathematics Stanford UniversityStanfordCAUSA Department of Computer science Stanford UniversityStanfordCAUSA Department of Materials science and Engineering Stanford UniversityStanfordCAUSA

Reliably identifying synthesizable inorganic crystalline materials is an unsolved challenge required for realizing autonomous materials *** this work,we develop a deep learning synthesizability model(synthNN)that leverages the entire space of synthesized inorganic chemical *** reformulating material discovery as a synthesizability classification task,synthNN identifies synthesizable materials with 7×higher precision than with DFT-calculated formation *** a head-to-head material discovery comparison against 20 expert material scientists,synthNN outperforms all experts,achieves 1.5×higher precision and completes the task five orders of magnitude faster than the best human ***,without any prior chemical knowledge,our experiments indicate that synthNN learns the chemical principles of charge-balancing,chemical family relationships and ionicity,and utilizes these principles to generate synthesizability *** development of synthNN will allow for synthesizability constraints to be seamlessly integrated into computational material screening workflows to increase their reliability for identifying synthetically accessible materials.

关键词： inorganic crystalline utilize

Genetic variation and potential coinfection of Wolbachia among widespread Asian citrus psyllid (Diaphorina citri Kuwayama) populations

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Insect science 2019年第4期26卷 671-682页

作者： Chia-Ching Chu Mark Hoffmann W. evan Braswell Kirsten s. Pelz-stelinski Department of Entomology and Nematology University of Florida Gainesville Florida USA Citrus Research and Education Center University of Florida Lake Alfred Florida USA 3Department of Horticultural sciences North Carolina State University Raleigh North Carolina USA Center for Plant Health science and Technology USDA APHIS Edinburg Texas USA

Wolbachia can profoundly influence the survival, reproduction, and defenses of insect hosts. These interactions could potentially be harnessed for managing pests or insecttransmitted diseases. Diaphorina citri Kuwayama is a phloem-feeding pest capable of transmitting the putative causal agent of citrus greening, Candidatus Liberibacter asiaticus (CLas). Like many insects, D. citri is also infected with Wolbachia (wDi). Recent studies indicate that the relative abundance of wDi could be associated with the abundance of CLas, and that wDi may contribute to regulating expression of phage lytic cycle genes in CLas, suggesting the need for better understanding of wDi biology in general. This study investigated the genetic diversity of wDi among D. citri in populations spanning eleven countries and two U.s. territories. six Wolbachia genes, wsp, ***, gatB, and hep A, were sequenced and compared across samples. Two prevalent wDi strains were identified across the samples, and screening of clone libraries revealed possible coinfection of wDi strains in specific populations. D. citri mitochondrial cytochrome oxidase subunit I gene (mtCOI) were more divergent between D. citri populations that were infected with different wDi strains or had different infection statuses (single infection vs. coinfection). While we could not eliminate the possibility that maternal transmission may contribute to such patterns, it is also possible that wDi may induce cytoplasmic incompatibility in their host. These fin dings should contribute to the understanding of wDi population ecology, which may facilitate manipulation of this endosymbiont for management of citrus greening disease worldwide.

关键词： bacteria genetic diversity Huanglongbing plant disease superinfection vertically transmitted endosymbionts

China’s transitioning class identity

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China Finance and Economic Review 2016年第1期5卷 71-87页

作者： evan Osborne Department of Economics Wright State University

China’s rapid economic transformation is similar in some ways to those that have occurred in other East Asian *** the changing structure of perceived class identity that occurs in many rapidly growing economies is found to be absent in China,and in fact as China has continued to grow such change as has occurred is found to be downward,despite the immense material improvement *** data on income distribution in China do not explain this phenomenon,but anomalies in China’s urban real-estate market might.

关键词： Housing market class identity middle class social effects of economic growth

Development and validation of a registry-based definition of eosinophilic esophagitis in Denmark

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World Journal of Gastroenterology 2013年第4期19卷 503-510页

作者： evan s Dellon Rune Erichsen Lars Pedersen Nicholas J shaheen John A Baron Henrik T sφrensen Mogens Vyberg Center for Esophageal Diseases and swallowing and Center for Gastrointestinal Biology and DiseaseDivision of Gastroenterology and HepatologyDepartment of MedicineUniversity of North Carolina School of MedicineChapel HillNC 27599-7080United States Center for Gastrointestinal Biology and Disease Division of Gastroenterology and HepatologyDepartment of MedicineUniversity of North Carolina School of MedicineChapel HillNC 27599-7080United States Department of Clinical Epidemiology Aarhus University Hospital8000 AarhusDanmark Institute of Pathology Aalborg HospitalAarhus University Hospital8000 AarhusDanmark

AIM:To develop and validate a case definition of eosinophilic esophagitis(EoE) in the linked Danish health ***:For case definition development,we queried the Danish medical registries from 2006-2007 to identify candidate cases of EoE in Northern *** International Classification of Diseases-10(ICD-10) and prescription codes were obtained,and archived pathology slides were obtained and re-reviewed to determine case *** used an iterative process to select inclusion/exclusion codes,refine the case definition,and optimize sensitivity and *** then re-queried the registries from 2008-2009 to yield a validation *** case definition algorithm was applied,and sensitivity and specificity were ***:Of the 51 and 49 candidate cases identified in both the development and validation sets,21 and 24 had EoE,*** of EoE cases in the development set [mean age 35 years;76% male;86% dysphagia;103 eosinophils per high-power field(eos/hpf)] were similar to those in the validation set(mean age 42 years;83% male;67% dysphagia;77 eos/hpf).Re-review of archived slides confirmed that the pathology coding for esophageal eosinophilia was correct in greater than 90% of *** registrybased case algorithms based on pathology,ICD-10,and pharmacy codes were successfully generated in the development set,one that was sensitive(90%) and one that was specific(97%).When these algorithms were applied to the validation set,they remained sensitive(88%) and specific(96%).CONCLUsION:Two registry-based definitions,one highly sensitive and one highly specific,were developed and validated for the linked Danish national health databases,making future population-based studies feasible.

关键词： Eosinophilic esophagitis Denmark Epidemiology Case definition sensitivity specificity

Cascade of care for children and adolescents with chronic hepatitis C

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World Journal of Gastroenterology 2021年第12期27卷 1117-1131页

作者： Michael evan Rogers William F Balistreri Department of Pediatrics Cincinnati Children's Hospital Medical CenterCincinnatiOH 45229United States

Chronic hepatitis C virus(HCV)infection presents a significant global public health *** 2015,over 400000 deaths worldwide were attributed to HCV *** led the World Health Organization(WHO)in 2016 to set the ambitious goal of eliminating HCV by ***-centered guidelines have been established in order to provide direction for healthcare professionals,allowing integration of the newest screening policies and therapeutic strategies into their ***,for children and adolescents,HCV is a significant,unrecognized public health *** infection rates in the United states in women of childbearing age and those who are pregnant have increased in parallel with the rising opioid *** estimated 29000 women with HCV infection gave birth each year from 2011 to 2014 in the United states,with approximately 1700 of their infants being infected with *** HCV-specific therapeutics,namely direct acting antivirals(DAA),has brought a new and highly successful approach to treatment of hepatitis *** studies have confirmed similar levels of effectiveness and safety of DAA therapies in the pediatric ***,an enhanced cascade of care,which should include the population under 18 years of age,can help achieve the WHO goal by focusing on elimination in the youngest *** review will present an overview of the natural history,clinical features,and management of HCV in children and adolescents.

关键词： Hepatitis C virus Hepatitis C education Hepatitis C elimination

Leidenfrost drops on micro/nanostructured surfaces

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Frontiers in Energy 2018年第1期12卷 22-42页

作者： Vishal TALARI Prakhar BEHAR Yi LU evan HARYADI Dong LIU Department of Mechanical Engineering University of HoustonHouston TX 77204-4006 USA

In the Leidenfrost state, the liquid drop is levitated above a hot solid surface by a vapor layer generated via evaporation from the drop. The vapor layer thermally insulates the drop from the heating surface, causing deteriorated heat transfer in a myriad of important engineering applications. Thus, it is highly desirable to suppress the Leidenfrost effect and elevate the Leidenfrost temperature. This paper presents a comprehensive review of recent literature concerning the Leidenfrost drops on micro/nanostructured surfaces with an emphasis on the enhancement of the Leidenfrost temperature. The basic physical processes of the Leidenfrost effect and the key characteristics of the Leidenfrost drops were first intro- duced. Then, the major findings of the influence of various micro/nanoscale surface structures on the Leidenfrost temperature were presented in detail, and the underlying enhancement mechanism for each specific surface topology was also discussed. It was concluded that multiscale hierarchical surfaces hold the best promise to significantly boost the Leidenfrost temperature by combin- ing the advantages of both micro- and nanoscale structures.

关键词： Leidenfrost drop Leidenfrost temperature,heat transfer enhancement miero/nanostructured surfaces

Load carrying capacity of a heterogeneous surface bearing

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Friction 2015年第4期3卷 287-293页

作者： evan THOMAs Mircea D PAsCOVICI Romeo P GLOVNEA Tribology Laboratory Department of Engineering and DesignUniversity of SussexUnited Kingdom Machine Elements and Tribology Division Politehnica University of BucharestBucharestRomania

It has been shown before that liquids can slip at a solid boundary,which prompted the idea that parallel-surfaces bearings can be achieved just by alternating slip and non-slip regions in the direction of fluid *** amount of slip at the wall depends on the surface tension at the liquid-solid interface,which in turn depends on the chemical state of the surface and its *** the present study a heterogeneous surface was obtained by coating half of a circular glass disc with a coating repellant to glycerol.A rotating glass disc was placed at a known/calibrated distance and the gap was filled with *** the mobile surface moving from the direction of slip to non-slip region it can be theoretically shown that a pressure build up can be *** pressure gradient in the two regions is constant,similar to that in a Rayleigh step bearing,with the maximum pressure at the separation *** heterogeneous disc was placed on a holder supported by a load cell thus the force generated by this pressure increase can be measured *** were carried out at different sliding speeds and gaps and the load carried was measured and subsequently compared with theoretical *** allowed the slip coefficient to be evaluated.

关键词： bearing slip heterogeneous load

In situ study of the mechanical properties of airborne haze particles

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science China(Technological sciences) 2015年第12期58卷 2046-2051页

作者： DING Mingshuai HAN WeiZhong LI Ju MA evan sHAN ZhiWei Center for Advancing Materials Performance from the Nanoscale (CAMP-Nano) and Hysitron Applied Research Center in China (HARCC) State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong University Department of Nuclear science and Engineering and Department of Materials science and Engineering Massachusetts Institute of Technology Department of Materials science and Engineering Johns Hopkins University

Particulate pollution has raised serious concerns regarding its potential impacts on human health in developing countries. However, much less attention has been paid to the threat of haze particles to machinery and industry. By employing a state-of-the-art in situ scanning electron microscope compression testing technique, we demonstrate that iron-rich and fly ash haze particles, which account for nearly 70% of the total micron-sized spherical haze particles, are strong enough to generate abrasive damage to most engineering alloys, and therefore can generate significant scratch damage to moving contacting surfaces in high precision machineries. Our finding calls for preventive measures to protect against haze related threat.

关键词： haze particle hardness abrasive damage precision industry

Method of cells-based multiscale modeling of elastic properties of filament wound C/C-siC including free si and matrix porosity

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Journal of Materials science & Technology 2019年第12期35卷 2906-2918页

作者： evan J.Pineda Marek Fassin stefanie Reese Jaan-Willem simon NAsA Glenn Research Center 21000 Brookpark RoadMS 49/7ClevelandOH 44135United States Institute for Applied Mechanics RWTH Aachen UniversityMies-van-der-Rohe-Str.152074 AachenGermany

Three different multiscale models, based on the method of cells(generalized and high fidelity) micromechanics models were developed and used to predict the elastic properties of C/C-siC composites. In particular, the following multiscale modeling strategies were employed: Concurrent modeling of all phases using the generalized method of cells, synergistic(two-way coupling in space) multiscale modeling with the generalized method of cells, and hierarchical(one-way coupling in space) multiscale modeling with the high fidelity generalized method of cells. The three models are validated against data from a hierarchical multiscale finite element model in the literature for a repeating unit cell of C/***, the multiscale models are used in conjunction with classical lamination theory to predict the stiffness of C/C-siC plates manufactured via a wet filament winding and liquid silicon infiltration process recently developed by the German Aerospace Institute. Finally, un-reacted si(or free si) and porosity in the C matrix are included in the multiscale model, and the effect of these new phases on the stiffness and local stresses are considered.

关键词： Multiscale modeling C/C-siC Ceramic matrix composites