Conference: day 2

Got to meet some more people — Samrat Chaudhury and Hassan (whom I have not met in years). Here are some notes of a few talks that I attended.

Ken Elder: Phase field crystal modelling

Introducing gradient terms in free energy, automatically, gets you Hooke’s law.

Conventional density functional theory — first term ideal gas non-interacting — second term – two-point correlation

PFC — Primitive, simplified form of classical DFT — take the second term and expand those in terms of densities

The expansion parameters — isothermal liquid compressibility, bulk modulus, lattice constant

Phase field model — simplified, primitive model of PFC with phase field being the amplitude of the density field

Binary alloy PFC — regular solution model pops out for constant (zero?) density and negative gradient energy coefficient for concentration gives orderingIs there a primitive/simplified PFC for quantum DFT — to study chemical bonds?

Jim Warren — Introducing mechanics into Phase Field

Reactive wetting — Boettinger and Warren — Bi 20 wt % Sn on pure Bi

Reactive wetting — three time scales Rapid spreading (fast), melting dissolution (seconds), and elimination of non-constant curvature of liquid-solid interface (years)

Hydrodynamics into phase field – how to do?

Mass conservation, momentum conservation, energy conservation, entropy is maximized

Assume a non-classical entropy — Sekerka

Dan Anderson — pure phase

Poisson bracket formalism — McGill group

Dissipative terms in the entropy production of the form

tau: grad v (Classical Newtonian fluid)

van der Waals — ideal alloy fluid modelling — Solid is a viscous liquid in the usual phase field model — very bad for these kind of problems

Can PFC equations of motion be derived using an argument of the increasing entropy type?

Nigel Goldenfeld –Extending PFC models

PFC — no constraint on density

How to deal with defects? How to put in elasticity? How to put in plastic flow phenomena? Binary alloys?

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