Analysis 1.5

Analysis 1.5 - V T Δ H Δ V Δ S dT dP = = ⎟ ⎠ ⎞ ⎜...

Info iconThis preview shows pages 1–3. Sign up to view the full content.

View Full Document Right Arrow Icon
University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Thermodynamic parameters of the model material (IV) Performing simulations at different pressures, we can find the pressure dependence of C p : 0 500 1000 1500 2000 2500 Temperature, K -4.4 -4.3 -4.2 -4.1 -4 -3.9 -3.8 -3.7 Internal energy per atom, eV -4 GPa crystal (b) 0GPa 12 GPa 8GPa 4GPa P) (T, C C P P =
Background image of page 1

Info iconThis preview has intentionally blurred sections. Sign up to view the full version.

View Full DocumentRight Arrow Icon
University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Thermodynamics of melting -5 0 5 10 Pressure, GPa 1000 1200 1400 1600 1800 2000 2200 2400 2600 Temperature, K GPa K 3 4 P T m = crystal – liquid coexistence simulations m m m m m Δ
Background image of page 2
Background image of page 3
This is the end of the preview. Sign up to access the rest of the document.

Unformatted text preview: V T Δ H Δ V Δ S dT dP = = ⎟ ⎠ ⎞ ⎜ ⎝ ⎛ Clapeyron equation GPa K 46.8-.4 2 4 P T m = ⎟ ⎠ ⎞ ⎜ ⎝ ⎛ ∂ ∂ Maximum overheating (3D PBC) Simulations for EAM Ni ( Phys. Rev. B 68 , 064114, 2003) University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei homogeneous melting above the limit of crystal stability heterogeneous melting liquid - crystal coexistence (equilibrium T m ) “classical” homogeneous nucleation maximum overheating Pressure (GPa) Reduced Temperature (T/T m )-5 5 10 0.8 1 1.2 1.4 1.6 1.8...
View Full Document

This note was uploaded on 02/14/2012 for the course MSE 4270 taught by Professor Zhigilei during the Fall '11 term at UVA.

Page1 / 3

Analysis 1.5 - V T Δ H Δ V Δ S dT dP = = ⎟ ⎠ ⎞ ⎜...

This preview shows document pages 1 - 3. Sign up to view the full document.

View Full Document Right Arrow Icon
Ask a homework question - tutors are online