Tags: computational materials science

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  1. books on computational material science

    Closed | Responses: 0

    which book is good for computational material science? Kindly suggest me which are all to be referred for computational material science.

    https://nanohub.org/answers/question/569

  2. AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation

    08 Jan 2018 | | Contributor(s):: Ali Sangghaleh, Michael J. Demkowicz

    We present a tool called Arrangement of Interface Dislocation Arrays (AIDA) for enumerating all dislocation networks that satisfy the quantized Frank-Bilby equation for any interface between cubic crystals with a single-atom basis, i.e. FCC/FCC, BCC/BCC, and FCC/BCC interfaces. The set of...

  3. Atomic Picture of Plastic Deformation in Metals via Online Molecular Dynamics Simulations

    01 Jun 2011 | | Contributor(s):: Alejandro Strachan

    The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive understanding of how materials work at molecular scales. The module consists of: i) Two introductory...

  4. Chandra Veer Singh

    https://nanohub.org/members/56131

  5. Comparing the Operation of p-i-n vs. p-n Junction Diodes Using PN Junction Lab in ABACUS

    23 Aug 2017 | | Contributor(s):: André Schleife, Materials Science and Engineering at Illinois

    In this activity, students use the PN Junction Lab simulation tool in ABACUS on nanoHUB to simulate different p-i-n or p-n diode structures.  Plots of hole concentration and electric field as a function of position, along with the gand structure with and without applied bias, will be...

  6. Computer in Science Engineering: featuring nanoHUB.org

    22 Apr 2010 |

    The current issue of Computing in Science and Engineering focuses on cyber-enabled nanotechnology, and nanoHUB.org is featured extensively throughout.

  7. Computer Modeling Module: Chemical Reaction Simulation using SIESTA

    23 Aug 2017 | | Contributor(s):: Lan Li

    This activity guides students through a module using the SIESTA DFT tool that is housed within the MIT Atomic Scale Modeling Toolkit on nanoHUB. Instructional videos, background reading, reminders and the assignment are included.Learning outcomes:Get familiar with SIESTA tool and activation...

  8. Dierk Raabe

    PROFESSIONAL SKETCHPROF. DIERK RAABEDepartment of Microstructure Physics and Alloy DesignMax-Planck-Institut fuer EisenforschungFax: ++49 –(0)211-6792-278E-mail: d.raabe@mpie.dewww.mpie.de- - - -...

    https://nanohub.org/members/58719

  9. Ernesto Marinero

    https://nanohub.org/members/28203

  10. Jeffrey C Grossman

    Jeffrey C. Grossman is a Professor of computational materials science in the Department of Materials Science and Engineering at MIT. His research focuses on the application and development of...

    https://nanohub.org/members/9156

  11. Jingtian Fang

    Huazhong University of Science & Technology 09/2007-06/2012Bachelor Degree of EngineeringMaterials Processing & control

    https://nanohub.org/members/73585

  12. mage:ic:kinetics1 - Diffusion in 1D and 3D

    10 Mar 2014 | | Contributor(s):: Michael L. Falk

    This module guides students through two analyses of diffusion problems using the COMSOL finite element software. Students are then asked to use what they have learned to guide the design of a drug delivery device.Disciplinary Goals: Understand mass transport in 1D and 3D, effects of boundary...

  13. Majid Mortazavi

    https://nanohub.org/members/89172

  14. Michael Worku

    https://nanohub.org/members/150665

  15. Mujan Seif

    https://nanohub.org/members/172343

  16. nanoMATERIALS nanoscale heat transport

    03 Nov 2010 | | Contributor(s):: Keng-Hua Lin, Sean Sullivan, Mathew Joseph Cherukara, Alejandro Strachan, Tianli Feng, Xiulin Ruan, Bo Qiu

    Non-equilibrium MD simulations of heat transport in nano-materials

  17. Jan 02 2015

    NCN (nanoHUB) Summer Undergraduate Research Fellowship Applications

    Applications are now being accepted for the NCN SURF program. Please visit the group page for more information and the link to the application site, on the main Purdue SURF page. This opportunity...

    https://nanohub.org/events/details/1108

  18. NCN Nanomaterials: Simulation Tools for Education

    02 Jun 2009 |

  19. NCN, nanoHUB, HUBzero: cyberinfrastructure for nanotechnology

    13 May 2010 | | Contributor(s):: Mark Lundstrom

    Presentation made at the Workshop to Develop the Global Nanotechnology Network, Grenoble, France.

  20. Nirpendra Singh

    https://nanohub.org/members/58636