Tags: materials science

Resources (1-20 of 508)

  1. 2005 Molecular Conduction and Sensors Workshop

    27 Jul 2005 |

    This is the 3rd in a series of annual workshops on Molecular Conduction. The prior workshops have been at Purdue University, W. Lafayette, IN (2003) and Nothwestern University, Evanston, IL (2004). The workshop has been an informal and open venue for discussing new results, key challenges, and...

  2. 2010 NCN@Purdue Summer School: Electronics from the Bottom Up

    20 Apr 2010 |

    Electronics from the Bottom Up seeks to bring a new perspective to electronic devices – one that is designed to help realize the opportunities that nanotechnology presents.

  3. A Gentle Introduction to Nanotechnology and Nanoscience

    13 Feb 2006 | | Contributor(s):: Mark Ratner

    While the Greek root nano just means dwarf, the nanoscale has become a giant focus of contemporary science and technology. We will examine the fundamental issues underlying the excitement involved in nanoscale research - what, why and how. Specific topics include assembly, properties,...

  4. A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G

    08 Aug 2006 | | Contributor(s):: Amritanshu Palaria

    Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron system that accounts for the antisymmetric (fermion) nature of electronic wavefunction but does not...

  5. A Primer on Scanning Tunneling Microscopy (STM)

    04 Apr 2006 | | Contributor(s):: Ron Reifenberger

    Scanning Probe Microscopes and their remarkable ability to provide three-dimensional maps of surfaces at the nanometer length scale have arguably been the most important tool in establishing the world-wide emergence of Nanotechnology. In this talk, the fundamental ideas behind the first scanning...

  6. A Python code for material composition lines - composition line utility

    11 Sep 2013 | | Contributor(s):: Amritanshu Palaria

    In material science and chemical thermodynamics, phase diagrams play an important role. In composition-phase diagrams, compositions of the various components constitute, depending on how the composition may change, one or more axes of the diagram. In the sub-space formed by only the composition...

  7. ABINIT: First-Time User Guide

    09 Jun 2009 | | Contributor(s):: Benjamin P Haley

    This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss the default simulation (what happens if you don't change any inputs, and just hit "simulate") as...

  8. Active Photonic Nanomaterials: From Random to Periodic Structures

    06 Feb 2006 | | Contributor(s):: Hui Cao

    Active photonic nanomaterials, which have high gain or large nonlinearity, are essential to the development of nanophotonic devices and circuits. In this talk, I will provide a review of our recent research activities related to the fabrication of active photonic nanomaterials and the...

  9. Additional Tutorials on Selected Topics in Nanotechnology

    23 Mar 2011 | | Contributor(s):: Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja

    Select tutorials in nanotechnology, a part of the 2010 NCN@Purdue Summer School: Electronics from the Bottom Up.

  10. AFM Metrology of Cellulose Nanocrystals

    21 Mar 2011 | | Contributor(s):: Robert J. Moon, Ryan Wagner

    This talk discusses the characterization of cellulose nanocrystals via atomic force microscopy.

  11. Aluminum: a safe, economical, high energy density material for energy storage, transport and splitting water to make hydrogen on demand

    29 Mar 2009 | | Contributor(s):: Jerry M. Woodall

    In 1968, a team lead by the author discovered that liquid gallium saturated with aluminum at room temperature would split water into hydrogen gas, alumina and heat. More recently his current team has discovered that bulk, solid Al rich alloys will also split water in the same manner. Since 1)...

  12. An Experimentalists’ Perspective

    19 Dec 2007 | | Contributor(s):: Arunava Majumdar

    This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational science and engineering.

  13. Application-driven Co-Design: Using Proxy Apps in the ASCR Materials Co-Design Center

    31 May 2012 | | Contributor(s):: Jim Belak

    Computational materials science is performed with a suite of applications that span the quantum mechanics of interatomic bonding to the continuum mechanics of engineering problems and phenomenon specific models in between. In this talk, we will review this suite and the motifs used in each of...

  14. Atomic Force Microscopy

    01 Dec 2005 | | Contributor(s):: Arvind Raman

    Atomic Force Microscopy (AFM) is an indispensible tool in nano science for the fabrication, metrology, manipulation, and property characterization of nanostructures. This tutorial reviews some of the physics of the interaction forces between the nanoscale tip and sample, the dynamics of the...

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

    18 Dec 2009 | | 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...

  16. Atomic Picture of Plastic Deformation in Metals: Lab Assignment Handout

    19 Jan 2010 | | Contributor(s):: Alejandro Strachan

    In this lab students will perform online molecular dynamics (MD) simulations of metallic nanowires deformed uniaxially and analyze the results...

  17. Atomic Picture of Plastic Deformation in Metals: Overview Lecture

    18 Dec 2009 | | Contributor(s):: Alejandro Strachan

    The lecture describes the objectives of the learning module and provides the necessary background for the activities. We briefly discuss the following topics:mechanical response of macroscopic polycrystalline metals during tensile tests molecular dynamics simulations of materialsmechanical...

  18. Atomic Picture of Plastic Deformation in Metals: Prelab Lecture

    18 Dec 2009 | | Contributor(s):: Alejandro Strachan

    This lecture provides a detailed description of the activities the students will perform in the lab. We present a tutorial with step by step instructions on how to run MD simulations using the nano-Materials Simulation Toolkit.This lecture is part of the learning module Atomic Picture of Plastic...

  19. Atomistic Alloy Disorder in Nanostructures

    26 Feb 2007 | | Contributor(s):: Gerhard Klimeck

    Electronic structure and quantum transport simulations are typically performed in perfectly ordered semiconductor structures. Bands and modes are defined resulting in quantized conduction and discrete states. But what if the material is fundamentally disordered? What if the disorder is at the...

  20. Atomistic Material Science

    03 Nov 2011 | | Contributor(s):: Alejandro Strachan

    This course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.