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Recent Advances in the Modeling and Simulation of the
Mechanics of Nanoscale Materials


Philadelphia, PA

August 21-23 2019

 

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Contact Information

For administrative information about the workshop, contact Ruth Hengst at ruth@usacm.org.

Important Dates

April 4: Registration opens

July 15: Poster session submissions deadline

August 1: Late registration begins

 

 

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Program

A final program may be downloaded.  

Glandt Forum, Singh Center for Nanotechnology, 3rd Floor

Wednesday, August 21
8:15-8:45am Registration and light breakfast
8:45-9:00am Welcome and opening remarks
Session 1: First Principle Calculations and Quantum Properties
9:00-9:30am Vikram Gavini. Large-scale real-space elecronic structure calculations
9:30-10:00am Amartya Banerjee. Symmetry, deformations and the search for unprecedented materials from first principles.
10:00-10:30am Mauricio Ponga. How defects affect quantum mechanical properties in crystalline materials.
10:30-11:00am

Refreshment Break

Session 2: Plasticity
11:00-11:30am David Rodney. Physical foundation of non-Schmid yeild criterion in BCC metals.
11:30-12:00pm Eugen Rabkin. The microstructural origins of size effect in strength of metal nanoparticles.
12:00-12:30pm John Bassani. Non-associative plastic flow: insights from multiscale simulations
12:30-1:45pm Lunch
Session 3: Defects I
1:45-2:15pm David McDowell. Some challenges in length and time scaling for modeling dislocations.
2:15-2:45pm Michael Ortiz. Atomistic simulation of hydrogen storage in Pd nanoparticles.
2:45-3:15pm Emmanuel Clouet. Secondary slip of screw dislocations in hcp zirconium.
3:15-3:45pm Refreshment Break
 
Session 4: Defects II
3:45-4:15pm Jaime Marian. Simulating dynamic strain aging in body-centered cubic metals on diffusive timescale
4:15-4:45pm Anter El-Azab. A continuum theory for defects and microstructure evolution in irradiated crystalline solids
5:00-6:30pm Poster Session (partial list of presenters may be found here).
Thursday, August 22
8:00-8:30am Light Breakfast
Session 5: Grain Boundaries and Interfaces
8:30-9:00am Yash Kulkarni.  Mechanistic insights into crystalline interfaces via thermal fluctuations
9:00-9:30am Nikhil Admal. Polycrystal plasticity with anisotropic grain boundary evolution
9:30-10:00am Brandon Runnels. Unifying mechanisms of grain boundary migration through a continuum thermodynamic framework.
10:00-10:30am Refreshment Break
Session 6: Mechanics of Materials I
10:30-11:00am Garritt Tucker. Implementing higher-order descriptors to unravel competing deformation effects at an atomic scale
11:00-11:30am Tim Rupert. Probing nanoscale complexion transformations with computational techniques that complement experiments.
11:30-12:00pm Jun Lou. Quantitative in-situ nanomechanical study of low dimensional materials.
12:00-12:30pm Mitra Taheri. Toward the Tailoring Materials Properties Far from Equilibrium: Convergence of Microscopy, Data Science, and Theory
12:30-1:45pm Lunch
Session 7: Mechanics of Materials II
1:45-2:15pm Ryan Elliott. A framework for the interpretation of modulated martensites in shape memory alloys
2:15-2:45pm Prashant Purohit. Interactions and assembly of inclusions on lipid membranes.
2:45-3:15pm Andrej Kosmrlj. Statistical mechanics of microscopically thin thermalized structures.
3:15-3:45pm Refreshment Break
Session 8: Mechanics of Materials III
3:45-4:15pm Pradeep Sharma. Flexoelectricity and Electrets
4:15-4:45pm Kaushik Dayal. Electromechanics and statistical mechanics of dielectric elastomers
4:45-5:15 pm Pedro Ponte-Castaneda. Macroscopic instabilities and domain formation in elastometric composites
7:30pm Dinner: White Dog Cafe
Friday, August 23
8:00-8:30am Light Breakfast
Session 9: Phase Field Model
8:30-9:00am Peter Voorhees. The morphology and topology of nanoporous metals
9:00-9:30am Katsuyo Thornton. Nanoscale simulations using phase-field crystal models
9:30-10:00am Martin Diehl. Coupling Crystal Plasticity and Phase Field Methods - The Future of Integrated Computational Materials Engineering?
10:00-10:30am Refreshment Break
Session 10: Scale Bridging I
10:30-11:00am Jarek Knap. Accelerating Scale Bridging via Surrogate Modeling
11:00-11:30am Yuri Mishin. Physcally-informed artificial neural networks for atomistic modeling of materials
11:30-12:00pm Xin Yan. Time-Scaling in atomistic and the rate-dependent mechanical behavior of nanostructures
12:00-1:15pm Lunch
Session 11: Scale Bridging II
1:15-1:45pm Dan Mordehai. Calculating the activation parameters of thermally activated dislocation mechanisms
1:45-2:15pm Andrea Liu. How Glasses Relax and Go with the Flow

 

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