TY - JOUR
T1 - Experimental determination and molecular dynamics simulation of specific heat for high temperature undercooled liquid
AU - Wang, H. P.
AU - Wei, B.
PY - 2008/11
Y1 - 2008/11
N2 - The accurate data of specific heat are of great significance in the thermodynamic analysis of phase transformation. Here, we report the experimental and calculated specific heat of liquid Ni90.1Si9.9 alloy by electromagnetic levitation drop calorimeter and molecular dynamics calculation, respectively. The experimental result, 39.54 J mol-1 K-1, is in good agreement with the calculated value of 38.03 J mol-1 K-1, and there exists only a little difference between them. The calculated undercooling range of 0 ∼ 623 K is much wider than the experimental range of 0 ∼ 218 K. The undercooled liquid structure of this alloy is analyzed according to the total and partial pair distribution functions, which show that the in-order degree of atom distribution enhances from normal liquid to undercooled liquid. The Si atoms are homogeneously dispersed among the Ni atoms, whereas the average distance among Ni atoms changes little.
AB - The accurate data of specific heat are of great significance in the thermodynamic analysis of phase transformation. Here, we report the experimental and calculated specific heat of liquid Ni90.1Si9.9 alloy by electromagnetic levitation drop calorimeter and molecular dynamics calculation, respectively. The experimental result, 39.54 J mol-1 K-1, is in good agreement with the calculated value of 38.03 J mol-1 K-1, and there exists only a little difference between them. The calculated undercooling range of 0 ∼ 623 K is much wider than the experimental range of 0 ∼ 218 K. The undercooled liquid structure of this alloy is analyzed according to the total and partial pair distribution functions, which show that the in-order degree of atom distribution enhances from normal liquid to undercooled liquid. The Si atoms are homogeneously dispersed among the Ni atoms, whereas the average distance among Ni atoms changes little.
KW - Electromagnetic levitation
KW - Liquid alloys
KW - Molecular dynamic simulations
KW - Specific heat
KW - Undercooled melts
UR - http://www.scopus.com/inward/record.url?scp=54949095823&partnerID=8YFLogxK
U2 - 10.1080/09500830802385274
DO - 10.1080/09500830802385274
M3 - 文章
AN - SCOPUS:54949095823
SN - 0950-0839
VL - 88
SP - 813
EP - 819
JO - Philosophical Magazine Letters
JF - Philosophical Magazine Letters
IS - 11
ER -