Ray, They are don’t have the HPC mindset. So their request is conservative. They could do a lot with good force-field and 50K core-hours. If they need more they could always ask. John J. Low Principal Computational Science Specialist Computing, Environment and Life Sciences Building 240, 2143 9700 South Cass Avenue Argonne National Laboratory Argonne, IL 60439. 630-252-0045 www.linkedin.com/pub/john-low/15/8b0/5aa/ -----Original Message----- From: <[email protected]> on behalf of "Bair, Raymond A." <[email protected]> Reply-To: LCRC Allocations Admins <[email protected]> Date: Thursday, October 15, 2015 at 3:52 PM To: LCRC Allocations Admins <[email protected]> Subject: Re: [allocations-admins] [LCRC Accounts] Project Request: Brewer_CNT
Looks OK, but seems like too little time to study all these systems.
Ray
On 10/15/15, 12:46 PM, "[email protected] on behalf of [email protected]" <[email protected] on behalf of [email protected]> wrote:
Hello,
A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee.
Applicant's name: John J. Low Applicant's institution: ANL Applicant's division: CLS Project Name: Brewer_CNT Project title: Atomistic-based modeling of carbon nanotube-based materials Associated funding: Brewer Science Other Systems: Missouri State University GPU Server Science: Results of this modeling project will help create models for thermal interface materials based on CNTs and compare them with traditional nano-particle materials known for high thermal conductivity. This project involves use of modeling of fundamental thermal conductivity properties of CNTs to better understand such materials working mechanism with different functional groups and their ability to maximize heat spreading. This molecular dynamic simulation study will help establish a correlation between functionalization of CNTs on interfacial resistance, intrinsic tube conductivity, and intrinsic thermal conductivity of CNTs. This MD simulation will also give a basic understanding of the effect of functionalization on thermal performance of CNTs. Such scientific findings will provide valuable information for use of CNTs or CNT-based composites in electronic packaging applications. Project description: Description: Project to work on various aspects of atomistic-based modeling with emphasis on:
1. Modeling of the thermal conductivity of CNT nano composites
This segment of the project will focus of identifying the critical parameters that govern the thermal conductivity of the CNT nanocomposites by means of molecular dynamics.
2. Water absorption by carboxylic-functionalized CNTs
This segment of the project will identify the varied interaction of water molecules with the CNT assembly which is functionalized by selected fillers to enhance the pi-pi bonding. The modelling will be conducted within the confinement of classical MD simulations.
3. Effect of introducing metal particles on CNT film on moisture sensing
This segment of the project will identify the varied interaction of water molecules with the CNT assembly embedded with a selected type of metal particles within the confinement of classical MD simulations. Industry partnership: Non-proprietary project which involves Jim Lamb (U.S. citizen), Corporate Technology Fellows, Brewer Science and Apoorv Negi (Indian citizen), Intern, Brewer Science who is a student with Missouri State University. Brewer Science is collaborating with Dr. Ridwan Sakidja, Prof. Missouri State University, whose student is Apoorv. To begin, this project will be non-proprietary. Will stay non-proprietary at least until the end of this year. We have been using this university's GPU server (thru' this professor and his student) as a collaboration. Project URL: Requested allocation: 50000 Q1: 25000 Q2: 25000 Q3: 0 Q4: 0 Justification: Storage requirements:
The requester has used undetermined amount hours of their initial startup project.
In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see:
https://wiki.lcrc.anl.gov/wiki/Processes/Categories
Once the Allocation committee has approved the project, please go to the Project Management page to create it:
https://accounts.lcrc.anl.gov/projects.php
Thank You, The LCRC Accounts System _______________________________________________ allocations-admins mailing list [email protected] https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins
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