Molecular Dynamics Simulation of Rapid Solidification of Aluminum Under Pressure

Sarkar, Amit Kumar; Barat, P.; Mukherjee, P.

doi:10.1142/s0217979208039897

Cited by 11 publications

(3 citation statements)

References 11 publications

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“…In addition, application of high pressure during the cooling process will also be tested because high pressure leads to a strong tendency of crystallisation [20].…”

Section: Resultsmentioning

confidence: 99%

Molecular dynamics simulation of aluminium melting

Novák

2016

Materials and Geoenvironment

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Solid–liquid phase transition has been simulated by the molecular dynamics method, using isobaric–isoenthalpic ensemble. For interatomic potential, glue potential has been selected. The original algorithm for bookkeeping of the information on neighbouring relationships of the atoms has been developed and used in this research. Time consumption for calculation of interatomic forces has been reduced from o(N2) to o(N) by the use of this algorithm.Calculations show that phase transition from solid to liquid occurs between 1,000 K and 1,300 K. The simulated temperature of phase transition is higher than the experimental value due to the absence of crystal defects. If constant heat flux is supplied, temperature decreases during melting because the superheated state becomes unstable. During the cooling process, no significant changes of the observed variables were detected due to the high cooling rate, which prevents crystallisation.

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“…In addition, application of high pressure during the cooling process will also be tested because high pressure leads to a strong tendency of crystallisation [20].…”

Section: Resultsmentioning

confidence: 99%

Molecular dynamics simulation of aluminium melting

Novák

2016

Materials and Geoenvironment

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“…It mainly used in molecular dynamics related to some calculation and simulation work, generally speaking, relates to the field of molecular dynamics. Recently, there are a lot of researches to the metal material by MD, they have led to great progress, it is found that the slower cooling rate and increase the pressure is advantageous to the crystallization, such as Li [7], some papers consider that higher pressure to reinforce the crystallization trend, such as SARKAR [8]. But the microstructure variation study of Ni-Al alloy is scanty.…”

Section: Introductionmentioning

confidence: 99%

Simulation of Microstructure and Dynamical Properties in Ni-Al Alloy under Different Pressures

Liu

Zheng-fu

et al. 2015

AMM

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The connection of atomic clusters has been investigated using molecular-dynamics simulation to explain the splitting of the second peak of the pair-distribution function in amorphous alloys. It is found that the unevenness of the connecting style of atomic clusters results in the splitting of the second peak and the two subpeaks is caused by a three-atom-shared connection and a one-atom-shared connection between atomic clusters. The underlying reason is that metallic glasses have higher density than liquid alloys and a different connecting style of atomic clusters from crystals.

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“…Ozgen and Duruk [9] showed that when the slow cooling process is applied continuously, not gradually, the systems firstly have a tendency of complex arrangement in cluster level at the glassy transition temperature, and, again, it returned to liquid state since they have an energetically unfavorable structure. Sarkar et al revealed that the induced pressure during solidification takes the aluminum in crystalline form even in very high cooling rate [10]. However, the atomic mechanism of crystallization from liquid metal has not yet been fully investigated.…”

Section: Introductionmentioning

confidence: 99%

Study of Structural and Phase Transition of Nickel Metal

Kien

2014

ISRN Materials Science

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Annealing study of nickel metal in the temperature range 300–1000 K has been carried out using molecular dynamics (MD) simulations. The simulation is done for models containing 104 particles Ni at both crystalline and amorphous states. We obtain the change as a function of annealing time for the potential energy of system, pair radial distribution function (PRDF), and distribution of coordination number (DCN). The calculation shows that the aging slightly reduces the potential energy of system. This result evidences that the amorphous model undergoes different quasiequilibrated states during annealing. The crystalline model undergoes the slow relaxation which reduces the energy of system and eliminates structural defects in crystal lattices.

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Molecular Dynamics Simulation of Rapid Solidification of Aluminum Under Pressure

Cited by 11 publications

References 11 publications

Molecular dynamics simulation of aluminium melting

Molecular dynamics simulation of aluminium melting

Simulation of Microstructure and Dynamical Properties in Ni-Al Alloy under Different Pressures

Study of Structural and Phase Transition of Nickel Metal

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