Crystal-melt kinetic coefficients of Ni3Al
Source abstract
Abstract
Abstract Crystal-melt interface growth kinetics of the intermetallic system, Ni 3 Al, is investigated using molecular dynamics simulation. Kinetic coefficient, one of the important parameters that controls solidification growth morphology, is calculated using free solidification method employing two different interatomic potentials. Compared to pure metals, the kinetic coefficients of the ordered systems are smaller by at least an order of magnitude. For the first time, we show here that the growth kinetics of ordered Ni 3 Al is very sluggish compared to that of the disordered system. The difference is attributed to the diffusion limited growth in the ordered systems vis-a-vis the interface limited growth in their counterpart. Theoretical models by Broughton-Gilmer-Jackson and Wilson-Frenkel are employed to corroborate the identified growth mechanisms. The extent of disorder trapped increases with increasing interface velocity.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: nanoparticles nucleation surface interactions · Solidification and crystal growth phenomena · Intermetallics and Advanced Alloy Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (36)
Show source-provided references
1. Linking phase-field and atomistic simulations to model dendritic solidification in highly undercooled melts10.1023/A:1015815928191 ↗
2. Investigation of solid/liquid interface temperatures via isenthalpic solidification10.1016/0022-0248(67)90037-1 ↗
3. Thermoelectric investigation of solidification of lead I. Pure lead10.1016/0022-0248(91)90334-2 ↗
4. Kinetics of solidification of intermetallic compounds in the Ni-Al system10.1016/S1359-6454(97)00273-5 ↗
5. Kinetics of solidification of B2 intermetallic phase in the Ni-Al system10.1016/j.actamat.2006.02.018 ↗
6. Direct measurements of crystal growth velocities in undercooled melts10.1016/0921-5093(94)90182-1 ↗
7. Atomistic simulation methods for computing the kinetic coefficient in solid-liquid systems10.1023/A:1015828330917 ↗
8. Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulation10.1088/0965-0393/18/1/015004 ↗
9. Molecular-dynamics study of solid-liquid interface migration in fcc metals10.1088/0965-0393/18/7/074002 ↗
10. Kinetic phase field parameters for the Cu-Ni system derived from atomistic computations10.1016/S1359-6454(99)00189-5 ↗
11. Atomistic computation of liquid diffusivity, solid-liquid interfacial free energy, and kinetic coefficient in Au and Ag10.1103/PhysRevB.65.214106 ↗
12. Measuring kinetic coefficients by molecular dynamics simulation of zone melting10.1103/PhysRevE.65.041605 ↗
13. Kinetic stages in the crystallization of deeply undercooled body-centered-cubic and face-centered-cubic metals10.1016/j.actamat.2009.09.030 ↗
14. Molecular dynamics computer simulation of crystal growth and melting in Al50Ni5010.1209/0295-5075/81/58001 ↗
15. Particularities of nucleation and growth of the B2-phase: results of simulations for the Al50Ni50 alloy10.1016/j.commatsci.2013.05.045 ↗
16. Disorder trapping during crystallization of the B2-ordered NiAl compound10.1103/PhysRevE.85.041601 ↗
17. Anomalously slow crystal growth of the glass-forming alloy of CuZr10.1038/nmat3631 ↗
18. Crystal growth velocity in deeply undercooled Ni-Si alloys10.1080/09500839.2011.630687 ↗
19. Crystal-melt interface growth velocity of Ni-Zr alloys through molecular dynamics simulations10.1007/s12666-015-0655-0 ↗
20. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
21. Melting line of aluminium from simulations of coexisting phases10.1103/PhysRevB.49.3109 ↗
22. Method for computing the anisotropy of the solid-liquid interfacial free energy10.1103/PhysRevLett.86.5530 ↗
23. Embedded-atom potential for B2-NiAl10.1103/PhysRevB.65.224114 ↗
24. Development of an interatomic potential for the Ni-Al system10.1080/14786430903258184 ↗
25. Molecular dynamics simulation of the melting curve of NiAl alloy under pressure10.1063/1.4876515 ↗
26. Molecular dynamics studies on the correlation of undercoolability and thermophysical properties of liquid Ni-Al alloys10.1016/j.commatsci.2015.10.046 ↗
27. 1986
28. On the velocity of solidification and the viscosity of super cooled liquids10.1080/14786440009463908 ↗
29. Crystallization rates of a Lennard-Jones liquid10.1103/PhysRevLett.49.1496 ↗
30. Theory for the trapping of disorder and solute in intermetallic phases by rapid solidification10.1016/0001-6160(89)90210-1 ↗
31. A molecular dynamics study of the velocities, mobility and activation energy of an austenite-ferrite interface in pure Fe10.1016/j.actamat.2012.04.023 ↗
32. The order–disorder transformation in Ni3Al and Ni3Al–Fe alloys—I. Determination of the transition temperatures and their relation to ductility10.1016/0001-6160(87)90273-2 ↗
33. The order–disorder transformation in Ni3Al and Ni3Al–Fe alloys—II. Phase transformations and microstructures10.1016/0001-6160(87)90274-4 ↗
34. Visualization and analysis of atomistic simulation data with OVITO - the Open Visualization Tool10.1088/0965-0393/18/1/015012 ↗
35. Kinetic coefficient of Ni solid-liquid interfaces from molecular-dynamics simulations10.1103/PhysRevB.69.024108 ↗
36. Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys10.1103/PhysRevB.33.7983 ↗