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| 1 | Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential显示文摘The plastic flow behavior of bcc transition metals up to moderate temperatures is dominated by the thermally activated glide of screw dislocations,which in turn is determined by the atomic-scale screw dislocation core structure and the associated kink-pair nucleation mechanism for glide.Modeling complex plasticity phenomena requires the simulation of many atoms and interacting dislocations and defects.These sizes are beyond the scope of first-principles methods and thus require empirical interatomic potentials.Especially for the technological important case of bcc Fe,existing empirical interatomic potentials yield spurious behavior.Here,the structure and motion of the screw dislocations in Fe are studied using a new Gaussian Approximation Potential(GAP)for bcc Fe,which has been shown to reproduce the potential energy surface predicted by density-functional theory(DFT)and many associated properties.The Fe GAP predicts a compact,non-degenerate core structure,a single-hump Peierls potential,and glide on{110},consistent with DFT results.The thermally activated motion at finite temperatures occurs by the expected kink-pair nucleation and propagation mechanism.The stress-dependent enthalpy barrier for screw motion,computed using the nudgedelastic-band method,follows closely a form predicted by standard theories with a zero-stress barrier of~1 eV,close to the experimental value of 0.84 eV,and a Peierls stress of~2 GPa consistent with DFT predictions of the Peierls potential. | Francesco Maresca Daniele Dragoni Gábor Csányi Nicola Marzari William A.Curtin | 2018 | npj Computational Materials2018，，1： | 5 |
| 2 | The role of real-time ultrasonography in predicting esophageal varices in hemophiliacs co-infected with hepatitis C and human immunodeficiency virus显示文摘 | Dragoni F Gentile G Cartoni C | 2005 | Haematologica2005，90，2： | 1 |
| 3 | The role of high resolution pulsed and color Doppler ultrasound in the differential diagnosis of benign and malignant lymphadenophathy:results of multivariate analysis显示文摘 | Dragoni F Cartoni C Pescarmona E | 1999 | Cancer1999，85，11： | 1 |
| 4 | The role of high resolution pulsed and color Doppler ultrasound in the differential diagnosis of benign and malignant lymphadenopathy results of multivariate analysis显示文摘 | Dragoni F Cartoni C Pescarmona E | 1999 | Cancer1999，85，： | 1 |
| 5 | Conduit artery constriction mediated by low flow:a novel noninvasive method for the assessment of vascular function显示文摘 | God T Dragoni S Lisi M | 2008 | J Am Coil Cardiol2008，51，20： | 1 |
| 6 | Successful treatment of ache keloidalis nuchae resistant to conventional therapy with 1064-nm ND:YAG laser显示文摘 | Dragoni FA Bassi G Cannarozzo P | 2013 | G Ital Dermatol Venereol2013，148，2： | 1 |
| 7 | Theoretical analysis of an unpressurized elastomeric O-rlng seal Inserted into a rectangular groove显示文摘 | Dragoni E Strozzi A | 1989 | Wear1989，130，： | 1 |
| 8 | Transpiration of apple trees in a humid climate using heat pulse sap flow gauges calibrated with whole-canopy gas exchange chambers显示文摘 | Dragoni D Lakso A N Piccioni R M | 2005 | Agricultural and Forest Meteorology2005，130，12： | 1 |
| 9 | Effect of folic acid and vitamin C supplementation on folate status and homocysteine level: a randomised controlled trial in Italian smoker-blood donors显示文摘 | Cafolla A Dragoni Ff Girelli G | 2002 | Atherosclerosis2002，163，： | 1 |
| 10 | Regularization of Torsional Stresses in Tubular Lap Bonded Joints by Means of Functionally Graded Adhesives 显示文摘 | Spaggiari A Dragoni E | 2014 | International Journal of Adhesion and Adhesives2014，53，： | 1 |
| 11 | On the calibration of continuous, high precision (tsO and (2H measure- ments using off-axis integrated cavity output spectrometer 显示文摘 | WANG Linxin CAYLOR K K DRAGONI D | 2009 | Rapid Commun Mass 5ectrom2009，23，4： | 1 |
| 12 | Evaluation of an oral supplement containing Phyllanthus emblica fruit extracts, vitamin E, and carotenoids in vitiligo treatment 显示文摘 | Colucci R Dragoni F Conti R | 2015 | Dermatol Ther2015，28，1： | 1 |
| 13 | A model for the formation of lava tubes by the growth of the crust from the levees 显示文摘 | Valerio A Tallarico A Dragoni M | 2010 | Journal of Geophysical Research: Solid Earth (1978 - 2012)2010，115，09： | 1 |
| 14 | Mechanisms of formation of lava tubes 显示文摘 | Valerio A Tallarico A Dragoni M | 2008 | Journal of Geophysical Research: Solid Earth (1978 - 2012)2008，113，08： | 1 |
| 15 | Coagulation study in patients who had undergone surgery for meningioma 显示文摘 | Dragoni F Mazzucconi MG Acqui M | 1993 | Haemostasis1993，23，6： | 1 |
| 16 | A three-dimensional Bingham model for channeled lava flows 显示文摘 | Tallarico A Dragoni M | 2000 | Journal of Geophysical Research: Solid Earth (1978 - 2012)2000，105，25： | 1 |
| 17 | The prevalence of spondylolysis and spondylolisthesis in symptomatic elite athletes:radiographic findings显示文摘 | Rossi F Dragoni S | 2001 | Radiography2001，7，1： | 1 |
| 18 | Design of adhesive joints based on peak elastic', stresses 显示文摘 | GOGLIO L ROSSETFO M DRAGONI E | 2008 | In- ternational Journal of'' Adhesion & Adhesives2008，28，： | 1 |
| 19 | A conceptual representation of documents and queries for in-formation retrieval systems by using light ontologies 显示文摘 | DRAGONI M PEREIRA C D CtTETTAMANZI A G B | 2012 | Expert Systems with Applications2012，39，10： | 1 |
| 20 | Balancing Repair and Tolerance of DNA Damage Caused by Alkylating Agents 显示文摘 | Dragony Fu Jennifer A Calvo Leona D Samson | 2012 | Nature Reviews Cancer2012，，12： | 1 |
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