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Purdue Workshop—Predictive materials modeling and simulations: nano- and micro-mechanics
This by-invitation-only workshop will focus on recent progress and current challenges in the area of experimentally validated, predictive modeling of mechanical properties of nano- or micro-engineered materials. Areas of interest include micro- and nano-electromechanical devices...
MSE 550: Properties of solids
PMMS: Center for Predictive Materials Modeling & Simulations
Center for Predictive Materials Modeling and Simulations
NSF Cyberenabled polymers nanocomposites
Page under construction
The following pages will be used to collect ideas, simulation/experiment setups, data its interpretation to expedite communications between various groups when writing collaborative papers.
Prediction of atomic structure and properties of thermosetting polymers via molecular dynamics by Chunyu...
Current version of the paper: boeing_polymer_v7.doc
Thermoelectric Figure of Merit
Goal: use first principles to predict the figure of merit (ZT) of thermoelectric materials
Galli/Grossman papers: (file:nanolett2008lee.pdf not found) File]
Size Effects Mechanical Properties
Size effects and constrains in mechanical properties
Paper: (file:actamaterialia2008kiener.pdf not found)
Thermal Conduction Nanowires
Thermal conduction in nanowires
Paper: (file:phys.rev.lett.2009donadio.pdf not found)
Learning Module: Atomic Picture of Plastic Deformation in Metals
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. Image to the right shows plastic deformation of...
Molecular dynamics simulations of materials
What is MD?
Molecular dynamics involves the numerical solution of the classical equations of motion (F=ma) for every single atom in material. The result is a very detailed description of the temporal evolution of the material: we obtain the position, velocity and force of every atom as a...
TMS meeting in Seattle
Boeing visit Feb. 2010
Crosslinking with MD (file:EPON825.ppt not found)
Energy-based yield criteria
MSE 190 projects page
Click the following links to learn about materials properties, their values for wide range of materials and materials properties charts that enable one to explore correlations between properties across classes of materials.
Assignments for next week:
Each student should select a property
Read wikipedia’s style guideline:
By next week:
Each group creates their own wiki page and adds the two materials...
Li and Strachan presentation StrachanLiPolymers.ppt
EPON825/3,3DDS deformation outputs (file:epon825def.tgz not found)
Final Oral Presentations
Session One Polymer Composites
Talk 1: Talk1_StrachanIntro.ppt
Talk 2a: Talk2a_Pipes.pptx
Talk 2b: Talk2b_Koslowski.ppt
Talk 3: Talk3_Caruthers.pptx
Talk 4: Talk4_StrachanLiPolymers.ppt
Talk 5a: Talk5a_Akkus.pptx
Talk 5b: (file:Talk5a_Raman.pptx not found)
Session Three Cross Cutting
Talk 2a: (file:Talk2a_KoslowskiStrachanUQ not found)