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| 1 | The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies显示文摘The Open Quantum Materials Database(OQMD)is a high-throughput database currently consisting of nearly 300,000 density functional theory(DFT)total energy calculations of compounds from the Inorganic Crystal Structure Database(ICSD)and decorations of commonly occurring crystal structures.To maximise the impact of these data,the entire database is being made available,without restrictions,at www.oqmd.org/download.In this paper,we outline the structure and contents of the database,and then use it to evaluate the accuracy of the calculations therein by comparing DFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of compounds.This represents the largest comparison between DFT and experimental formation energies to date.The apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/atom.In order to estimate how much error to attribute to the DFT calculations,we also examine deviation between different experimental measurements themselves where multiple sources are available,and find a surprisingly large mean absolute error of 0.082 eV/atom.Hence,we suggest that a significant fraction of the error between DFT and experimental formation energies may be attributed to experimental uncertainties.Finally,we evaluate the stability of compounds in the OQMD(including compounds obtained from the ICSD as well as hypothetical structures),which allows us to predict the existence of~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery,based on historical data available within the ICSD. | Scott Kirklin James E Saal Bryce Meredig Alex Thompson Jeff W Doak Muratahan Aykol Stephan Rühl Chris Wolverton | 2015 | npj Computational Materials2015，，1： | 62 |
| 2 | High-density SNP-based genetic maps for the parents of an outcrossed and a selfed tetraploid garden rose cross, inferred from admixed progeny using the 68k rose SNP array显示文摘Dense genetic maps create a base for QTL analysis of important traits and future implementation of marker-assisted breeding.In tetraploid rose,the existing linkage maps include<300 markers to cover 28 linkage groups(4 homologous sets of 7 chromosomes).Here we used the 68k WagRhSNP Axiom single-nucleotide polymorphism(SNP)array for rose,in combination with SNP dosage calling at the tetraploid level,to genotype offspring from the garden rose cultivar‘Red New Dawn’.The offspring proved to be not from a single bi-parental cross.In rose breeding,crosses with unintended parents occur regularly.We developed a strategy to separate progeny into putative populations,even while one of the parents was unknown,using principle component analysis on pairwise genetic distances based on sets of selected SNP markers that were homozygous,and therefore uninformative for one parent.One of the inferred populations was consistent with self-fertilization of‘Red New Dawn’.Subsequently,linkage maps were generated for a bi-parental and a self-pollinated population with‘Red New Dawn’as the common maternal parent.The densest map,for the selfed parent,had 1929 SNP markers on 25 linkage groups,covering 1765.5 cM at an average marker distance of 0.9 cM.Synteny with the strawberry(Fragaria vesca)genome was extensive.Rose ICM1 corresponded to F.vesca pseudochromosome 7(Fv7),ICM4 to Fv4,ICM5 to Fv3,ICM6 to Fv2 and ICM7 to Fv5.Rose ICM2 corresponded to parts of F.vesca pseudochromosomes 1 and 6,whereas ICM3 is syntenic to the remainder of Fv6. | Mirjana Vukosavljev Paul Arens Roeland E Voorrips Wendy P C van't Westende G D Esselink Peter M Bourke Peter Cox W Eric van de Weg Richard G F Visser Chris Maliepaard Marinus J M Smulders | 2016 | Horticulture Research2016，3，1： | 6 |
| 3 | Colonoscopic yield of colorectal neoplasia in daily clinical practice显示文摘AIM:To assess the prevalence and location of ad-vanced neoplasia in patients undergoing colonoscopy,and to compare the yield per indication.METHODS:In a multicenter colonoscopy survey (n = 18 hospitals) in the Amsterdam area (Northern Holland),data of all colonoscopies performed during a three month period in 2005 were analyzed. The location and the histological features of all colonic neoplasia were recorded. The prevalence and the distribution ofadvanced colorectal neoplasia and differences in yield between indication clusters were evaluated. Advanced neoplasm was defi ned as adenoma > 10 mm in size,with > 25% villous features or with high-grade dyspla-sia or cancer.RESULTS:A total of 4623 eligible patients underwent a total colonoscopy. The prevalence of advanced neo-plasia was 13%,with 281 (6%) adenocarcinomas and 342 (7%) advanced adenomas. Sixty-seven percent and 33% of advanced neoplasia were located in the distal and proximal colon,respectively. Of all patients with right-sided advanced neoplasia (n = 228),51% had a normal distal colon,whereas 27% had a syn-chronous distal adenoma. Ten percent of all colono-scopies were performed in asymptomatic patients,7% of whom had advanced neoplasia. In the respective procedure indication clusters,the prevalence of right-sided advanced neoplasia ranged from 11%-57%. CONCLUSION:One out of every 7-8 colonoscopies yielded an advanced colorectal neoplasm. Colonoscopy is warranted for the evaluation of both symptomatic and asymptomatic patients. | Jochim S Terhaar sive Droste Mike E Craanen Rene WM van der Hulst Joep F Bartelsman Dick P Bezemer Kim R Cappendijk Gerrit A Meijer Linde M Morsink Pleun Snel Hans ARE Tuynman Roy LJ van Wanrooy Eric IC Wesdorp Chris JJ Mulder | 2009 | World Journal of Gastroenterology2009，15，9： | 6 |
| 4 | The Changing Cold Regions Network:Observation,diagnosis and prediction of environmental change in the Saskatchewan and Mackenzie River Basins,Canada显示文摘Climate change is causing rapid and severe changes to many Earth systems and processes,with widespread cryospheric,ecological,and hydrological impacts globally,and especially in high northern latitudes.This is of major societal concern and there is an urgent need for improved understanding and predictive tools for environmental management.The Changing Cold Regions Network(CCRN)is a Canadian research consortium with a focus to integrate existing and new experimental data with modelling and remote sensing products to understand,diagnose,and predict changing land,water,and climate,and their interactions and feedbacks over the geographic domain of the Mackenzie and Saskatchewan River Basins in Canada.The network operates a set of 14 unique and focused Water,Ecosystem,Cryosphere and Climate(WECC)observatories within this region,which provide opportunities to observe and understand processes and their interaction,as well as develop and test numerical simulation models,and provide validation data for remote sensing products.This paper describes this network and its observational,experimental,and modelling programme.An overview of many of the recent Earth system changes observed across the study region is provided,and some local insights from WECC observatories that may partly explain regional patterns and trends are described.Several of the model products being developed are discussed,and linkages with the local to international user community are reviewed—In particular,the use of WECC data towards model and remote sensing product calibration and validation is highlighted.Some future activities and prospects for the network are also presented at the end of the paper. | Chris M DEBEER Howard S WHEATER William L QUINTON Sean K CAREY Ronald E STEWART Murray D MACKAY Philip MARSH | 2015 | Science China Earth Sciences2015，58，1： | 5 |
| 5 | Systematic review of periprosthetic tibia fracture after total knee arthroplasties显示文摘AIM: To investigate the known incidences, treatment options, and related outcomes of periprosthetic tibia fractures after total knee arthroplasty(TKA).METHODS: A literature search was done to identify studies that fit the inclusion criteria. The database search yielded 185 results, which were further reduced by the exclusion criteria to 13 papers, totaling 157 patients that met these criteria. Incidence rates of the different types of periprosthetic tibia fractures were determined and their treatments were subsequently analyzed based on the fracture's subclass, with patient outcomes being overall favorable.RESULTS: Of the 144 documented patients, 54(37.5%) had a subclass C fracture, which are frequently seen in revision arthroplasties or when using cement intraoperatively. The fractures of subclasses A and B occur postoperatively. There were 90 subclass A and B fractures with incidences of 18.75% and 43.75% respectively. When broken down by type, 62(55.36%) were type 1, 24(21.4%) were type 2, 24(21.4%) were type 3, and 2(1.8%) were type 4. Furthermore, from the studies that included origin of injury, the types were further classified as having non-traumatic or traumatic origins. Type 1 had 78%(40/51) non-traumatic origin and 22%(11/51) traumatic origin. Fifteen fractures were type 2, but 5 were falls and 1 through a motor vehicle accident, giving a trauma causation of 40%(6/15). Of the 24 type 3 fractures, 12 were falls and 2 vehicular accidents, leading to a trauma causation of 58%(14/24).CONCLUSION: Type 1 fractures were the most common. Subclass A was treated with locking plates, B required a revision TKA, and C was treated intraoperatively or nonoperatively. | Nabil A Ebraheim Joseph R Ray Meghan E Wandtke Grant S Buchanan Chris G Sanford Jiayong LiuZ | 2015 | World Journal of Orthopedics2015，6，8： | 4 |
| 6 | RF thermal and new cold part design studies on a TTF-Ⅲ input coupler for Project-X显示文摘An RF power coupler is one of the key components in a superconducting (SC) linac. It provides RF power to the SC cavity and interconnects different temperature layers (1.8 K, 4.2 K, 70 K and 300 K). The TTF-Ⅲ coupler is one of the most promising candidates for the High Energy (HE) linac of Project X, but it cannot meet the average power requirements because of the relatively high temperature rise on the warm inner conductor, so some design modifications will be required. In this paper, we describe our simulation studies on the copper coating thickness on the warm inner conductor with RRR values of 10 and 100. Our purpose is to rebalance the dynamic and static loads, and finally lower the temperature rise along the warm inner conductor. In addition, to get stronger coupling, better power handling and less multipacting probability, one new cold part design was proposed using a 60 mm coaxial line; the corresponding multipacting simulation studies have also been investigated. | 裴士伦 Chris E Adolphsen 李增海 Nikolay A Solyak Ivan V Gonin | 2012 | Chinese Physics C2012，36，2： | 2 |
| 7 | Soil moisture: A central and unifying theme in physical geography显示文摘 | Legates David R Mahmood Rezaul Levia Delphis F DeLiberty Tracy L Quiring Steven M Houser Chris Nelson Frederick E | 2011 | Progress in Physical Geography2011，，1： | 2 |
| 8 | Costimulatory molecules in human atherosclerotic plaques: an indication of antigen specific T lymphocyte activation显示文摘 | Onno J de Boer Floris Hirsch Allard C van der Wal Chris M van der Loos Pranab K Das Anton E Becker | 1997 | Atherosclerosis1997，，2： | 1 |
| 9 | Ego depletion, atten- tional control, and decision making in sport 显示文摘 | Philip F Alex B Chris E | 2013 | Psychol- ogy of Sport & Exercise2013，14，6： | 1 |
| 10 | Besifloxacin,a novel fluoroquinolone,has broad-spectrum in vitro activity against aerobic and anaerobic bacteria显示文摘 | Haas W Chris M P Gary E Z | 2009 | Antimicrob Agents Chemother2009，53，8： | 1 |
| 11 | Quantitative susceptibility of Streptococcus suis strains isolated from diseased pigs in seven European countries to antimicrobial agents licenced in veterinary medicine显示文摘 | Henk J W Kees T V Chris V E | 2006 | Veterinary Microbiology2006，113，： | 1 |
| 12 | Comparison of five commercial DNA extraction kits for the recover of Francisella tularensis DNA from spiked soil samples 显示文摘 | CHRIS A W HANAH E H | 2007 | Molecular and Cellular Probes2007，21，2： | 1 |
| 13 | Biomineralization of metal - containing ores and concentrates 显示文摘 | Douglas E Rawlings David Dew Chris du Plessis | 2003 | Trends in Biotechnology2003，21，1： | 1 |
| 14 | Who is Oxyrrhis raarina? Morphological and phylogenetic studies on an unusual dino- flagellate显示文摘 | CHRIS DI PATRICK J K LAURA E M | 2011 | Journal of Plankton Reseach2011，33，4： | 1 |
| 15 | A computerized method of visual acuity testing显示文摘 | Roy W Beck Pamela S Moke Andrew H Turpin Frederick L Ferris John Paul SanGiovanni Chris A Johnson Eileen E Birch Danielle L Chandler Terry A Cox R.Clifford Blair Raymond T Kraker | 2003 | American Journal of Ophthalmology2003，，2： | 1 |
| 16 | Intuitionistic fuzzy rough sets: At the crossroads of imperfect knowledge 显示文摘 | Chris C Cock M D Kerre E E | 2003 | Expert Systems2003，20，5： | 1 |
| 17 | Morphology development during the initial stages of polymer-polymer blending显示文摘 | Chris E Scott Christopher W Macosko | 1995 | Polymer1995，36，： | 1 |
| 18 | A tandem mass spectrometric study of the N-oxides, quinoline N-oxide, carbadox, and olaquindox,carried out at high mass accuracy using electrospray ionization显示文摘 | Xiu-Sheng Miao Raymond E March Chris D Metcalfe | 2003 | International Journal of Mass Spectrometry2003，230，： | 1 |
| 19 | Oxygen-deficient perovskites: linking structure, energetics and ion transport 显示文摘 | Svein Stolen Egil Bakken Chris E Mohn | 2006 | Phys Chem Chem Phys2006，8，4： | 1 |
| 20 | Experimental Investigation on CBN Turning of Hardened AISI 52100 Steel显示文摘 | Chou Y K Chris J E Barash M M | 2002 | Journal of Materials Processing Technology2002，，124： | 1 |
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