|From:||"Heine, David R" <HeineDR@...233...>|
|Date:||Wed, 28 Jun 2017 13:51:31 +0000|
I didn’t get the attached pdf when the message was forwarded, so maybe sending it directly to me will help me understand the issue better.
In general, I followed the equations in Chapter 9 to incorporate polydispersity into pair_lubricate. As I was discussing with Tim Najuch, the text assumes you have particle A approaching another particle B, so being consistent with them, the separation distance is scaled by the radius of particle A. In the lubricate implementation, the forces on A and B are calculated separately, hence the requirement that “newton” is set to off. The grand resistance matrix approach in Chapter 11 that Tim was working on assumes the particles are approaching each other at the same speed, which may be a better approximation, but I don’t have a sense of how big the difference is when modeling things like highly filled systems as opposed to semi-dilute solutions. If you haven’t already talked to Tim about the grand resistance matrix implementation, maybe that will address some of your issues.
I don’t see the issues about specific terms you mention below, but again, maybe I need the pdf attachment to see your explanation. If you have a means of making this more generally applicable than what is provided in Kim and Karilla, then I am all in favor of it.
From: Steve Plimpton [mailto:sjplimp@...24...]
I'm CCing Dan Bolintineanu and Dave Heine who can likely
answer these Qs.
On Wed, Jun 21, 2017 at 4:54 AM, Ranga Radhakrishnan <r.radhakrishnan@...652...> wrote: