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| 1 | Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials显示文摘Recently,high-entropy alloys(HEAs)have attracted wide attention due to their extraordinary materials properties.A main challenge in identifying new HEAs is the lack of efficient approaches for exploring their huge compositional space.Ab initio calculations have emerged as a powerful approach that complements experiment.However,for multicomponent alloys existing approaches suffer from the chemical complexity involved.In this work we propose a method for studying HEAs computationally.Our approach is based on the application of machine-learning potentials based on ab initio data in combination with Monte Carlo simulations.The high efficiency and performance of the approach are demonstrated on the prototype bcc NbMoTaW HEA.The approach is employed to study phase stability,phase transitions,and chemical short-range order.The importance of including local relaxation effects is revealed:they significantly stabilize single-phase formation of bcc NbMoTaW down to room temperature.Finally,a so-far unknown mechanism that drives chemical order due to atomic relaxation at ambient temperatures is discovered. | Tatiana Kostiuchenko Fritz Körmann Jörg Neugebauer Alexander Shapeev | 2019 | npj Computational Materials2019，，1： | 17 |
| 2 | Laparoscopic surgery for benign and malign diseases of the digestive system:Indications,limitations,and evidence显示文摘The laparoscopic technique was introduced in gastrointestinal surgery in the mid 1980s.Since then,the development of this technique has been extraordinary.Triggered by technical innovations(stapling devices or coagulation/dissecting devices),nowadays any type of gastrointestinal resection has been successfully performed laparoscopically and can be performed laparoscopically dependent on the patient’s condition.This summary gives an overview over 30 years of laparoscopic surgery with focus on today’s indications and evidence.Main indications remain the more common procedures,e.g.,appendectomy,cholecystectomy,bariatric procedures or colorectal resections.For all these indications,the laparoscopic approach has become the gold standard with less perioperative morbidity.Regarding oncological outcome there have been several highquality randomized controlled trials which demonstrated equivalency between laparoscopic and open colorectal resections.Less common procedures like esophagectomy,oncological gastrectomy,liver and pancreatic resections can be performed successfully as well by anexperienced surgeon.However,the evidence for these special indications is poor and a general recommendation cannot be given.In conclusion,laparoscopic surgery has revolutionized the field of gastrointestinal surgery by reducing perioperative morbidity without disregarding surgical principles especially in oncological surgery. | Markus Alexander Küper Friederike Eisner Alfred K?nigsrainer J?rg Glatzle | 2014 | World Journal of Gastroenterology2014，20，17： | 9 |
| 3 | FOLFIRI plus cetuximab versus FOLFIRI plus bevacizumab as first-line treatment for patients with metastatic colorectal cancer (FIRE-3): a randomised, open-label, phase 3 trial显示文摘 | Volker Heinemann Ludwig Fischer von Weikersthal Thomas Decker Alexander Kiani Ursula Vehling-Kaiser Salah-Eddin Al-Batran Tobias Heintges Christian Lerchenmüller Christoph Kahl Gernot Seipelt Frank Kullmann Martina Stauch Werner Scheithauer J?rg Hielscher | 2014 | Lancet Oncology2014，，10： | 2 |
| 4 | Intraoperative laser fluorescence angiography in colorectal surgery: a noninvasive analysis to reduce the rate of anastomotic leakage显示文摘 | Stefanie Kudszus Christian Roesel Alexander Schachtrupp J?rg J. H?er | 2010 | Langenbeck’s Archives of Surgery2010，，8： | 2 |
| 5 | Circulating microRNAs (miRNA) in Serum of Patients With Prostate Cancer显示文摘 | Robert Mahn Lukas C. Heukamp Sebastian Rogenhofer Alexander von Ruecker Stefan C. Müller J?rg Ellinger | 2011 | Urology2011，，5： | 1 |
| 6 | He-paranase Expression in Primary and Metastatic Pancreatic Cancer显示文摘 | Alexander Koliopanos Helmut Friess J rg Kleeff | 2001 | Cancer Research2001，61，12： | 1 |
| 7 | Differences in dental arch morphology among adult females with untreated Class Ⅰ and Class Ⅱ malocclusion 显示文摘 | Buschang PH J Stroud and RG Alexander | 1994 | Eur J Orthod1994，16，1： | 1 |
| 8 | Surgical correction of the long-face syndromes显示文摘 | Bell WH Greekmore TD Alexander RG | 1977 | Am J Orthod1977，71，： | 1 |
| 9 | Lip bumper therapy for gaining arch length显示文摘 | Nevant CT Buschang PH Alexander RG | 1991 | Am J Orthod Dentofacial Orthop1991，100，3： | 1 |
| 10 | Long-term stability of combined rapid palatal expansion-lip bumper therapy foUowed by full fixed appliance 显示文摘 | Ferris T Alexander RG Boley J | 2005 | AM J Orthod Dentofacial Orthop2005，128，3： | 1 |
| 11 | Congestive heart failure and left ventricular dysfunction complicating doxorubicin therapy: seven-year experience using serial radionuclide angiocardiography显示文摘 | Schwartz RG Mckenzie WB Alexander J etal | 1987 | Am J Med1987，82，6： | 1 |
| 12 | Lip bumper therapy for gaining arch length显示文摘 | Nevant CT Buschang PH Alexander RG | 1991 | Am J Orthod Dentofacial Orthop1991，100，4： | 1 |
| 13 | Decreased nitric oxide synthesis activity causes impaired endothelium-dependent relaxation in the postisehemia heart显示文摘 | Roberto RG Alexander P Yong X | 1997 | J Bid Chem1997，272，21： | 1 |
| 14 | Omega-3 polyunsaturated fatty acids and cognition throughout the lifes- pan: a review 显示文摘 | KARR JE ALEXANDER JE WINNINGHAM RG | 2011 | NutrNeurosci2011，14，5： | 1 |
| 15 | Diference in dental arch morphology among adult females with untreated Class I and Class II malocelusion显示文摘 | Buschang PH Stroud J Alexander RG | 1994 | Am J Orthod1994，16，1： | 1 |
| 16 | Omega-3 polyun- saturated fatty acids and cognition throughout the lifespan:a review显示文摘 | Karr JE Alexander JE Winningham RG | 2011 | Nutr Neurosci2011，14，5： | 1 |
| 17 | Treatment guidelines 显示文摘 | Alexander RG | 2007 | Am J Orthod Dentofa- cial Orthop2007，131，6： | 1 |
| 18 | Lng-term stability of com- bined rapid palatal expansion-lip bumper therapy followed by full fixed appliances 显示文摘 | Fen'is T Alexander RG Boley J | 2005 | Am J Orthod De ntofac Orthop2005，128，3： | 1 |
| 19 | The varisimplex discipline,PartⅠ,concepts and appliance design显示文摘 | Alexander RG | 1983 | J Clin Orthop1983，17，： | 1 |
| 20 | Ab initio vibrational free energies including anharmonicity for multicomponent alloys显示文摘The unique and unanticipated properties of multiple principal component alloys have reinvigorated the field of alloy design and drawn strong interest across scientific disciplines.The vast compositional parameter space makes these alloys a unique area of exploration by means of computational design.However,as of now a method to compute efficiently,yet with high accuracy the thermodynamic properties of such alloys has been missing.One of the underlying reasons is the lack of accurate and efficient approaches to compute vibrational free energies—including anharmonicity—for these chemically complex multicomponent alloys.In this work,a density-functional-theory based approach to overcome this issue is developed based on a combination of thermodynamic integration and a machine-learning potential.We demonstrate the performance of the approach by computing the anharmonic free energy of the prototypical five-component VNbMoTaW refractory high entropy alloy. | Blazej Grabowski Yuji Ikeda Prashanth Srinivasan Fritz Körmann Christoph Freysoldt Andrew Ian Duff Alexander Shapeev Jörg Neugebauer | 2019 | npj Computational Materials2019，，1： | 1 |
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