Seminar Paper

Paper Information

video

sound

Persian Version

View:

990

Download:

Cites:

Information Seminar Paper

Title

CALCULATION OF SOME PROPERTIES OF SOLID NEON USING A MANY-BODY AND QUANTUM CORRECTED HFD-LIKE POTENTIAL FORM MOLECULAR DYNAMICS SIMULATION

Pages

 Start Page | End Page

Abstract

 INTRODUCTION: NOT MUCH IS KNOWN ABOUT THE ROLE OF QUANTUM EFFECTS AND MANY-BODY FORCES IN THE PROPERTIES OF SOLIDS ESPECIALLY AT HIGH-PRESSURES [1]. THEREFORE, IN THIS WORK, WE HAVE CALCULATED THE EOS, ELASTIC CONSTANTS, AND MELTING CURVE OF SOLID NEON USING A TWO-BODY HARTREE-FOCK DISPERSION (HFD) -LIKE POTENTIAL FROM MD SIMULATIONS. QUANTUM CORRECTIONS HAVE BEEN CONSIDERED USING THE FH APPROACH [2] FOR SOLID NEON. TO TAKE MANY-BODY FORCES INTO ACCOUNT, A NEW SIMPLE THREE-BODY POTENTIAL USED WITH THE TWO-BODY HFD-LIKE POTENTIAL WITHOUT REQUIRING AN EXPENSIVE THREE-BODY CALCULATION.

Cites

  • No record.
  • References

  • No record.
  • Related Journal Papers

  • No record.
  • Related Seminar Papers

  • No record.
  • Related Plans

  • No record.
  • Recommended Workshops