TY - JOUR
T1 - Molecular dynamics simulations of consolidation processes during fabrication of nanophase palladium
AU - Liu, C. L.
AU - Adams, J. B.
AU - Siegel, R. W.
N1 - Funding Information:
The authors would like to acknowledge the financial support from the Department of Energy, Basic Energy Sciences--Materials Science, through the Materials Research Laboratory at the University of Illinois under grant DE-A(O)76 ER01198 and at Argonne National Laboratory under contract #W-31-109-ENG-38, and to thank the National Center for Supercomputing Applications for providing time on their CRAY-YMP. Finally, we thank Stephen Foiles, Murray Daw, and Mike Baskes for sharing the EAM codes with us.
PY - 1994
Y1 - 1994
N2 - Consolidation processes during fabrication of nanophase palladium from atom clusters are simulated using molecular statics (MS), molecular dynamics (MD), and a potential from the emebedded atom,ethod (EAM). The MD simulations are conducte3d under conditions similar experimental conditions, i.e., at room temperature (300 K) and under compressive pressures of 10-50 kbar (1-5 GPa). Several dynamic phenomena have been observed during the simulations, such as "neck" formation, surface rounding, void formation and shrinking, and cluster extrusion. The effect of applied compressive pressures on the final structures of nanophase materials during considation is demonstrated.
AB - Consolidation processes during fabrication of nanophase palladium from atom clusters are simulated using molecular statics (MS), molecular dynamics (MD), and a potential from the emebedded atom,ethod (EAM). The MD simulations are conducte3d under conditions similar experimental conditions, i.e., at room temperature (300 K) and under compressive pressures of 10-50 kbar (1-5 GPa). Several dynamic phenomena have been observed during the simulations, such as "neck" formation, surface rounding, void formation and shrinking, and cluster extrusion. The effect of applied compressive pressures on the final structures of nanophase materials during considation is demonstrated.
UR - http://www.scopus.com/inward/record.url?scp=0028441978&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0028441978&partnerID=8YFLogxK
U2 - 10.1016/0965-9773(94)90136-8
DO - 10.1016/0965-9773(94)90136-8
M3 - Article
AN - SCOPUS:0028441978
SN - 0965-9773
VL - 4
SP - 265
EP - 274
JO - Nanostructured Materials
JF - Nanostructured Materials
IS - 3
ER -