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| 1 | Machine-learned multi-system surrogate models for materials prediction显示文摘Surrogate machine-learning models are transforming computational materials science by predicting properties of materials with the accuracy of ab initio methods at a fraction of the computational cost.We demonstrate surrogate models that simultaneously interpolate energies of different materials on a dataset of 10 binary alloys(AgCu,AlFe,AlMg,AlNi,AlTi,CoNi,CuFe,CuNi,FeV,and NbNi)with 10 different species and all possible fcc,bcc,and hcp structures up to eight atoms in the unit cell,15,950 structures in total.We find that the deviation of prediction errors when increasing the number of simultaneously modeled alloys is<1 meV/atom.Several state-of-the-art materials representations and learning algorithms were found to qualitatively agree on the prediction errors of formation enthalpy with relative errors of<2.5% for all systems. | Chandramouli Nyshadham Matthias Rupp Brayden Bekker Alexander V.Shapeev Tim Mueller Conrad W.Rosenbrock Gábor Csányi David W.Wingate Gus L.W.Hart | 2019 | npj Computational Materials2019，，1： | 8 |
| 2 | 关注碰撞中易受伤害人群:用于损伤生物力学研究的有限元人体模型最新进展(英文)显示文摘在汽车碰撞中,相对于平均身高的年轻男性,儿童、矮小女性、老人和肥胖者是易受伤害的人群,因而会有较高的死亡率和重伤率。但包括碰撞假人和人体有限元模型在内的现有伤害评价工具,一般未考虑人群中体型和身材组成的多样性。参数化人体有限元模型能够代表广泛人体属性,最大地拓宽碰撞安全所保护的人群。本综述发现:关于人体测量学、人体有限元模型、网格变换、人体材料试验和尸体试验的最新研究,为建立参数化人体有限元模型奠定了基础。本文提出了建立这样一个参数化的人体有限元模型的方案。该模型可模拟不同人群,对汽车进行安全优化设计,这是现有伤害评价工具所无法做到的。 | 胡敬文 Jonathan D. RUPP Matthew P. REED | 2012 | 汽车安全与节能学报2012，3，4： | 7 |
| 3 | Appropriately adapted properties of hot-extruded Zn-0.5Cu-xFe alloys aimed for biodegradable guided bone regeneration membrane application显示文摘Appropriately adapted comprehensive mechanical properties,degradation behavior and biocompatibility are prerequisites for the application of Zn-based biodegradable implants.In this study,hot-extruded Zn-0.5Cu-xFe(x=0.1,0.2 and 0.4 wt%)alloys were fabricated as candidates for biodegradable materials for guided bone regeneration(GBR)membranes.The hot-extrusion process and Cu alloying were expected mostly to enhance the mechanical properties,and the Fe alloying was added mainly for regulating the degradation.The microstructure,mechanical properties and in vitro degradation behavior were systematically investigated.The ZnCuFe alloys were composed of a Zn matrix and FeZn13 phase.With increasing Fe content,a higher FeZn13 phase precipitation with larger particles was observed.Since elongation declined significantly until fracture with increasing Fe content up to 0.4 wt%,the ZnCuFe(0.2 wt%)alloy achieved a good balance between mechanical strength and ductility,with an ultimate tensile strength of 202.3 MPa and elongation at fracture of 41.2%.Moreover,the addition of Fe successfully accelerated the degradation of ZnCuFe alloys.The ZnCuFe(0.2 wt%)alloy showed relatively uniform corrosion in the long-term degradation test.Furthermore,extracts of the ZnCuFe(0.2 wt%)alloy showed no apparent cytotoxic effects against L929 fibroblasts,Saos-2 osteoblasts or TAg periosteal cells.The ZnCuFe(0.2 wt%)alloy exhibited the potential to inhibit bacterial adhesion of Streptococcus gordonii and mixed oral bacteria.Our study provides evidence that the ZnCuFe(0.2 wt%)alloy can represent a promising material for the application as a suitable GBR membrane. | Wentai Zhang Ping Li Gang Shen Xiaoshan Mo Chao Zhou Dorothea Alexander Frank Rupp Jürgen Geis-Gerstorfer Haijun Zhang Guojiang Wan | 2021 | Bioactive Materials2021，6，4： | 6 |
| 4 | Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning显示文摘Computational study of molecules and materials from first principles is a cornerstone of physics,chemistry,and materials science,but limited by the cost of accurate and precise simulations.In settings involving many simulations,machine learning can reduce these costs,often by orders of magnitude,by interpolating between reference simulations.This requires representations that describe any molecule or material and support interpolation.We comprehensively review and discuss current representations and relations between them.For selected state-of-the-art representations,we compare energy predictions for organic molecules,binary alloys,and Al–Ga–In sesquioxides in numerical experiments controlled for data distribution,regression method,and hyper-parameter optimization. | Marcel F.Langer Alex Goeßmann Matthias Rupp | 2022 | npj Computational Materials2022，，1： | 5 |
| 5 | Single Incision Laparoscopic Cholecystectomy Is Associated With a Higher Bile Duct Injury Rate: A Review and a Word of Caution显示文摘 | Mark Joseph Michael R. Phillips Timothy M. Farrell Christopher C. Rupp | 2012 | Annals of Surgery2012，，1： | 3 |
| 6 | Flow Past an Accumulator Unit of an Underwater Energy Storage System: Three Touching Balloons in a Floral Configuration显示文摘在一个蓄电池单位上的流动的 LES 模拟一在水下压缩空气精力存储设备被进行。蓄电池单位由三接触组成在水下汽球安排在一种花的配置。流动的结构经由 Q 标准的三维的 iso 表面被检验。旋涡的核心被观察在上下风汽球出现。这些旋涡的核心产生的打漩的试管流动通过三根维的路径线被描绘。流动动力学经由对流动方向垂直的二个维的涡度轮廓的时间系列快照被设想;揭示上述的流打漩试管的狂暴的放荡运动流动。装载的水动力学的时间历史以电梯被介绍并且拖系数。在花的配置拖每个单个汽球的系数比一个单个汽球的小。总数拖三个动人的汽球的花的单位的系数,这被发现,即汽球的 drag 系数的求和,而它提供存储能力三次,不比一个单个汽球的太多大。除了它在设计适当基础和支持的实际意义,装载的即时水动力学被用来决定流的旋涡试管的狂暴的打漩热闹运动的频率;Strouhal 数字被发现比在一样的雷纳兹数字的一个单个范围的大。 | Ahmadreza Vasel-Be-Hagh Rupp Carriveau David S-K Ting | 2014 | Journal of Marine Science and Application2014，13，4： | 3 |
| 7 | German critical incident reporting system database of prehospital emergency medicine: Analysis of reported communication and medication errors between 2005–2015显示文摘BACKGROUND: Communication failure in prehospital emergency medicine can affect patient safety as it does in other areas of medicine as well. We analyzed the database of the critical incident reporting system for prehospital emergency medicine in Germany retrospectively regarding communication errors.METHODS: Experts of prehospital emergency medicine and risk management screened the database for verbal communication failure, non-verbal communication failure and missing communication at all.RESULTS: Between 2005 and 2015, 845 reports were analyzed, of which 247 reports were considered to be related to communication failure. An arbitrary classifi cation resulted in six different kinds: 1) no acknowledgement of a suggestion; 2) medication error; 3) miscommunication with dispatcher; 4) utterance heard/understood improperly; 5) missing information transfer between two persons; and 6) other communication failure.CONCLUSION: Communication defi cits can lead to critical incidents in prehospital emergency medicine and are a very important aspect in patient safety. | Christian Hohenstein Thomas Fleischmann Peter Rupp Dorothea Hempel Sophia Wilk Johannes Winning | 2016 | World Journal of Emergency Medicine2016，7，2： | 3 |
| 8 | Use of Continuous Insulin Infusion Pumps in Young Children With Type 1 Diabetes: A Systematic Review显示文摘 | Jeanne N. Churchill Rebekah L. Ruppe Arlene Smaldone | 2009 | Journal of Pediatric Health Care2009，，3： | 2 |
| 9 | Arthroscopic Treatment of Chronically Painful Calcifying Tendinitis of the Supraspinatus Tendon显示文摘 | Romain Seil Heike Litzenburger Dieter Kohn Stefan Rupp | 2006 | Arthroscopy: The Journal of Arthroscopic and Related Surgery2006，，5： | 2 |
| 10 | Guidelines for the prevention of intravascular catheter-related infections显示文摘 | Naomi P. O’Grady Mary Alexander Lillian A. Burns E. Patchen Dellinger Jeffrey Garland Stephen O. Heard Pamela A. Lipsett Henry Masur Leonard A. Mermel Michele L. Pearson Issam I. Raad Adrienne G. Randolph Mark E. Rupp Sanjay Saint | 2011 | AJIC: American Journal of Infection Control2011，，4： | 2 |
| 11 | Antiviral Therapy for Chronic Hepatitis B Virus Infection and Development of Hepatocellular Carcinoma in a US Population显示文摘 | Stuart C. Gordon Lois E. Lamerato Loralee B. Rupp Jia Li Scott D. Holmberg Anne C. Moorman Philip R. Spradling Eyasu H. Teshale Vinutha Vijayadeva Joseph A. Boscarino Emily M. Henkle Nancy Oja–Tebbe Mei Lu | 2014 | Clinical Gastroenterology and Hepatology2014，，： | 2 |
| 12 | The development of optical surfaces during the grinding pr ocess显示文摘 | | 1965 | Applied OPtics1965，4，6： | 1 |
| 13 | Use of continuous insulin infusion pumps in young children with type 1 diabetes:a systematic review显示文摘 | Churchill JN Ruppe RL Smaldone A | 2009 | J Pediatr Health Care2009，23，3： | 1 |
| 14 | The S4-S5 linker directly couples voltage sensor movement to the activation gate in the human ether-a'-go-go-related gene (hERG) K+ channel显示文摘 | Ferrer T Rupp J Piper DR | 2006 | J Biol Chem2006，281，12： | 1 |
| 15 | Colonization of the female genital tract with Staphylococcus saprophyticus 显示文摘 | Rupp M E Soper D E Archer G L | 1992 | J Clin Microbiol1992，30，11： | 1 |
| 16 | Mnd1 is required for meiotic interhomolog repair显示文摘 | Zierhut C Berlinger M Rupp C | 2004 | Curr Biol2004，14，9： | 1 |
| 17 | The use of partial fatty acid oxidation inhibitors for metabolic therapy of angina pectoris and heart failure显示文摘 | Rupp H Zarain-Herzberg A Maisch B | 2002 | Herz2002，27，7： | 1 |
| 18 | Formation and photocatalytic decomposition of a pellicle on anatase surfaces显示文摘 | Rupp F Haupt M Eichler M | 2012 | J Dent Res2012，91，1： | 1 |
| 19 | Body fluid derived exosomes as a novel template for clinical diagnostics显示文摘 | KELLER S RIDINGER J RUPP A K | 2011 | J Translat Med2011，9，： | 1 |
| 20 | Utilization of the internal transcribed spacer regions as molecular targets to detect and iden- tify human fungal pathogens 显示文摘 | Iwen P C Hinrichs S H Rupp M E | 2002 | Medical Mycology2002，40，1： | 1 |
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