Potential for SiCN?

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1

Hello,

I was curious if anyone knows of a force field that could be used to model amorphous SiCN. I have not seen any ReaxFF or Tersoff parameterizations but maybe I am not looking in the right places. Is anyone familiar with modeling this material?

Thanks,

Jackson

2

Check the list at this link.

https://www.scm.com/doc/ReaxFF/Included_Forcefields.html

Jim

James Kress Ph.D., President

The KressWorks® Institute

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3

Dear Dr. Kress,

I want to download
CBN.ff: (C/H/B/N)
Sung Jin Pai, Byung Chul Yeoa and Sang Soo Han Reactive force field for the improved design of liquid CBN hydrogen storage materials Phys. Chem. Chem. Phys., 2016, 18, pp 1818-1827.
How can I download this from your site?

Thank you
Rajesh

4

No. You need to go to the journal article and get it from the supplemental data. Or, contact Prof. Adri van Duin at Penn State and ask him.

Jim

James Kress Ph.D., President

The KressWorks® Institute

An IRS Approved 501 ©(3) Charitable, Nonprofit Corporation

“Engineering The Cure” ©

(248) 573-5499

Learn More and Donate At:

Website: http://www.kressworks.org

Facebook: https://www.facebook.com/KressWorks.Institute/

Twitter: @KressWorksFnd

Confidentiality Notice | This e-mail message, including any attachments, is for the sole use of the intended recipient(s) and may contain confidential or proprietary information. Any unauthorized review, use, disclosure or distribution is prohibited. If you are not the intended recipient, immediately contact the sender by reply e-mail and destroy all copies of the original message.