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| 1 | The ReaxFF reactive force-field: development, applications and future directions显示文摘The reactive force-field(ReaxFF)interatomic potential is a powerful computational tool for exploring,developing and optimizing material properties.Methods based on the principles of quantum mechanics(QM),while offering valuable theoretical guidance at the electronic level,are often too computationally intense for simulations that consider the full dynamic evolution of a system.Alternatively,empirical interatomic potentials that are based on classical principles require significantly fewer computational resources,which enables simulations to better describe dynamic processes over longer timeframes and on larger scales.Such methods,however,typically require a predefined connectivity between atoms,precluding simulations that involve reactive events.The ReaxFF method was developed to help bridge this gap.Approaching the gap from the classical side,ReaxFF casts the empirical interatomic potential within a bond-order formalism,thus implicitly describing chemical bonding without expensive QM calculations.This article provides an overview of the development,application,and future directions of the ReaxFF method. | Thomas P Senftle Sungwook Hong Md Mahbubul Islam Sudhir B Kylasa Yuanxia Zheng Yun Kyung Shin Chad Junkermeier Roman Engel-Herbert Michael J Janik Hasan Metin Aktulga Toon Verstraelen Ananth Grama Adri CT van Duin | 2016 | npj Computational Materials2016，，1： | 22 |
| 2 | 血管性认知障碍的诊断标准:国际血管性行为与认知障碍学会的申明显示文摘长期以来,脑血管病(CVD)就被认为是认知损害的一个重要原因,但是有关脑血管病后认知障碍的概念化却有着一段多变的历史。'动脉变硬'或脑的动脉粥样硬化是'老化'的原因,是存在已久的观点,在20世纪60年代受到了来自英格兰纽卡斯尔的神经病理学研究的质疑。这些研究表明,血管性痴呆(vascular dementia,Va D)与超过一定程度的多发性脑梗死有关。 | 徐岩 郭起浩 Sachdev P Kalaria R O'Brien J Skoog I Alladi S Black SE Blacker D Blazer DG Chen C Chui H Ganguli M Jellinger K Jeste DV Pasquier F Paulsen J Prins N Rockwood K Roman G Scheltens P | 2014 | 神经病学与神经康复学杂志2014，11，3： | 19 |
| 3 | Impact of body composition on survival and morbidity after liver resection in hepatocellular carcinoma patients显示文摘Background: Hepatocellular carcinoma is the most common innate liver tumor. Due to improved surgical techniques, even extended resections are feasible, and more patients can be treated with curative intent. As the liver is the central metabolic organ, preoperative metabolic assessment is crucial for risk stratification. Sarcopenia, obesity and sarcopenic obesity characterize body composition and metabolic status. Here we present the impact of body composition on survival after liver resection in patients with hepatocellular carcinoma. Methods: A retrospective database analysis of 70 patients who were assigned for liver resection due to hepatocellular carcinoma was conducted. For assessment of sarcopenia and obesity, skeletal muscle surface area was measured at lumbar vertebra 3 level(L3) in preoperative four-phase contrast enhanced abdominal CT scans, and L3 muscle index and body fat percentage were calculated. Results: Univariate analysis comparing the survival curves using the score test demonstrated superior postoperative overall survival for sarcopenic( P = 0.035) and sarcopenic obese( P = 0.048) patients as well as a trend favoring obese( P = 0.130) subjects. Whereas multivariate analysis could not identify significant difference in postoperative survival regarding sarcopenia, obesity or sarcopenic obesity. Only large tumor size, multifocal disease and male gender were risk factors for long-term survival. Conclusions: Sarcopenia, obesity and sarcopenic obesity are indeed no risk factors for poor postoperative survival in this study. Our data do not support the evaluation of sarcopenia, obesity and sarcopenic obesity before liver resection in hepatocellular carcinoma patients. | Andreas Kroh Diane Uschner Toine Lodewick Roman M Eickhoff Wenzel Sch?ning Florian T Ulmer Ulf P Neumann Marcel Binneb?sel | 2019 | Hepatobiliary & Pancreatic Diseases International2019，18，1： | 5 |
| 4 | Prediction of Dynamic and Aerodynamic Characteristics of the Centrifugal Fan with Forward Curved Blades显示文摘The main aim of this paper is determine the centrifugal fan with forward curved blades aerodynamic characteristics based on numerical modeling. Three variants of geometry were investigated. The first, basic 'A' variant contains 12 blades. The geometry of second 'B' variant contains 12 blades and 12 semi-blades with optimal length[1]. The third, control variant 'C' contains 24 blades without semi-blades. Numerical calculations were performed by CFD Ansys. Another aim of this paper is to compare results of the numerical simulation with results of approximate numerical procedure. Applied approximate numerical procedure [2] is designated to determine characteristics of the turbulent flow in the bladed space of a centrifugal-flow fan impeller. This numerical method is an extension of the hydro-dynamical cascade theory for incompressible and inviscid fluid flow. Paper also partially compares results from the numerical simulation and results from the experimental investigation. Acoustic phenomena observed during experiment, during numerical simulation manifested as deterioration of the calculation stability, residuals oscillation and thus also as a flow field oscillation. Pressure pulsations are evaluated by using frequency analysis for each variant and working condition. | Jií Polansky László Kalmár Roman Gápár | 2013 | Journal of Thermal Science2013，22，6： | 2 |
| 5 | Continuous positive airway pressure treatment in sleep apnea pre- vents new vascular events after ischemic stroke 显示文摘 | Martnez Garca MA Galiano Blancart R Roman Sanchez P | 2005 | Chest2005，128，： | 1 |
| 6 | Enhanced antidepressantefficacy of sigma 1 receptor agonists in rats after chronic intracerebroventricularinfusion of beta-amyloid-(1-40) protein显示文摘 | Urane A Romieu P Roman FJ Yamada K Noda Y Kamei H | 2004 | Eur J Pharmacol2004，486，： | 1 |
| 7 | Medullary thyroid cancer: early detection and novel treatments显示文摘 | Roman S Mehta P Sosa J A | 2009 | Curr Opin Oncol2009，21，1： | 1 |
| 8 | Severe acute exacerbations and mortality in patients with chronic obstructive pulmonary disease显示文摘 | Soler-Catalua JJ Martinez-Garcia MA Roman Sanchez P | 2005 | Thorax2005，60，11： | 1 |
| 9 | Malignant pheochromocytoma and paraganglioma:A population level analysis of long-term survival over two decades显示文摘 | Goffredo P Sosa JA Roman SA | 2013 | Journal of Surgical Oncology2013，107，6： | 1 |
| 10 | Interworking architecture between 3GPP and WLAN system显示文摘 | AHMAVAARA K HAVERINEN H ROMAN P | 2003 | IEEE Comunications Magazine2003，41，11： | 1 |
| 11 | Lymphangioleiomymatosis:pulmonary and abdominal findings with pathologic correlation显示文摘 | Pallisa E Sanz P Roman A | 2002 | Radio Graphics2002，22，： | 1 |
| 12 | Dementia Subtypes in China: Prevalencl in Beijing, Xi'an, Shanghai and chengdu 显示文摘 | Zhang ZX Zahner GE P Roman GC | 2005 | ArchNeurol2005，62，： | 1 |
| 13 | Assessingthe coupling between surface albedo derived from MODIS and the fraction of diffuse skylight over spa- tially-characterized landscapes显示文摘 | Roman M O Schaaf C B Lewis P | 2010 | Remote Sens En- viron2010，114，： | 1 |
| 14 | Anticonvulsant effects of nimodipine and two novel dihydropyridines (PCA 50922 and PCAS0941 ) a-gainst seizures elicited by pentylenetrazole and electroconvulsive shock in mice显示文摘 | Zapa ter P Javaloy J Roman JF | 1998 | Brain Res1998，796，12： | 1 |
| 15 | Value of rectal ultrasound in predicting staging and outcome in patients with rectal adenocarcinoma显示文摘 | Roman S Cenni JC Roy P | 2004 | Dis Colon Rectum2004，47，8： | 1 |
| 16 | Single-cell manipulation and analysis using microfluidic devices显示文摘 | Roman G T Chen Y L Viberg P | | 0，，： | 1 |
| 17 | Mediterranean diet re- duces 24 - hour ambulatory blood pressure, blood glucose, and lip- ids one- year randomized, clinical trial显示文摘 | Dom6nech M Roman P Lapetra J | 2014 | Hypertension2014，64，1： | 1 |
| 18 | Evidences of chemical interaction between EVA and hydrating Portland cement显示文摘 | SILVA D A ROMAN H R GLEIZE P J P | 2002 | Cement and Concrete Research2002，32，9： | 1 |
| 19 | Vascular cognitive disorder: a new diagnostic category updating vascular cognitive impairment and vascular dementia显示文摘 | Roman GC Sachdev P Royall DR | 2004 | Neurol Sci2004，22，6： | 1 |
| 20 | Enhanced anti-depressant efficacy of sigmal receptor agonists in rats after chronic intracerebroventricular infusion of beta-amyloid-(1-40) protein显示文摘 | Urani A Romieu P Roman FJ | 2004 | Eur J Pharmacol2004，486，： | 1 |
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