Friday, November 21, 2014
As in our recent work using tricked-up hard particles, we wondered whether we could answer this question without using explicit soft particle interactions. It does, indeed, appear to work in the sense that we are able to capture the differences in coverage of the surface between a metastable coverage in which particles once trapped at a site remain there, and the relaxed coverage in which particles are allowed to spread across the surface. We also found that relaxation leads to reduced coverage fractions rather than larger coverage as one might have expected a spreading of particles due to the relaxation.
This work was performed by my graduate student, Dr. Galen Craven, in collaboration with a research scientist in my group, Dr. Alex Popov. The title of the article is "Effective surface coverage of coarse grained soft matter.” The work was funded by the NSF. It was published on-line in J. Phys. Chem. B back in July, and I’ve been waiting to write this post hoping that it would hit the presses. Unfrotunately, it’s part of a Special Issue on Spectroscopy of Nano- and Biomaterials which hasn’t quite yet been published. But I hope that it will be soon! Click on the doi link to access the article.
Monday, November 17, 2014
At a seminar in UCSD a couple of years ago, I was asked a question concerning the velocity implemented in steered molecular dynamics. The issue concerned how the environment around a protein is affected by the speed in which a protein is literally pulled through it. This is analogous to a fist hitting your mouth. If the fist moves slowly enough, hopefully your mouth will have time to open and adjust itself allowing the fist to fit. But if the fist moves quickly, your teeth will likely be broken. To demonstrate this, without the benefit of this prior explanation, I ask for a volunteer (as I did extemporaneously at UCSD, and then later at Cal State LA where Carlos Gutierrez volunteered as is shown in the accompanying photo) and stunt punch him or her. The students (and the volunteer) are clearly surprised about the action and all are generally relieved that no one was hurt. More importantly, the visual metaphor helps them to better understand the algorithm. Many of them subsequently relay the visual metaphor to their friends and colleagues, undoubtedly also struggling to explain the connection to the science of the seminar. This requires audience members to commit the concepts to a longer-term memory. And this fits with my goal for my seminars which is to help students and colleagues learn and remember the science that my group is advancing. Sage at the stage may be comfortable and without risk, but engaging with your audience offers better rewards!