Date Title Author
Jan. 13, 2020    
Jan. 20, 2020 <Holiday> Martin Luther King Jr. Day  
Jan. 27, 2020 Deriving LBM Collision Operator using the Coarse-Graining MDLG Approach Aleksandra Pachalieva
Feb. 3, 2020    
Feb. 10, 2020    
Feb. 17, 2020 <Holiday> President's Day  
Feb. 24, 2020 TBA  
March 2, 2020 <APS March Meeting>  
March 9, 2020 Beyond Regular Microgels: Exotic Architectures in Crowded Environments Andrea Scotti
March 16, 2020 <Spring Break>  
March 23, 2020 Excited State Dynamics in 1D thermoelectric Materials Kevin Gima
March 30, 2020 Enhanced Optical Properties of Single-Walled Carbon Nanotubes via SP3-Hybridization Defects from Many-Body Perturbation Theory Based on Density Functional Theory Calculations Braden Weight
April 6, 2020    
April 13, 2020 <Holiday> Spring Recess  
April 20, 2020 Multivalent Effects on Interactions Between the Ligands and Cell-Surface Receptors Probed by a Binding Force Spectroscopy Lina Alhalhooly
April 27, 2020 A Density Functional Theory and Many Body Perturbation Theory Based Study of Charge Separation in Doped Silicon Nanowires Nathan Walker
May, 4, 2020 <Dead Week> Analysis of multilayer coatings using lattice Boltzmann Aaron Feickert
May 11, 2020 <Exam Week>  
     
     
     

Analysis of multilayer coatings using lattice Boltzmann
Aaron Feickert

Ph.D.,
Alumnus of the Department of Physics
and the
Department of Coatings and Polymeric materials,
North Dakota State University

Monday, May 4, 2020, 3:00-4:00pm,

Online: contact Alexander Wagner for details

We present a one-dimensional lattice Boltzmann simulation which provides an accurate and precise model for Fickian diffusion [1]. Simple analytical solutions for diffusion exist for reservoir-substrate systems, and have been used to model test cycling [2]. We extend this work to simulate multi-layer coatings. Typically multi-layer coatings have a protective part to avoid corrosion and additional layers to impart additional coating properties. We show here  that for some cases there can be two-layer coatings that at the same thickness have a better corosion protection than either of the layers making up the whole thickness. This unexpected result was obtained using our novel modeling framework.

Taken together, this modeling framework provides useful data on the construction of coating application stacks for use in automotive, aerospace, and other critical industry and infrastructure applications to avoid degradation and prolong service life.

References:
[1] Kyle T. Strand, Aaron J. Feickert, and Alexander J. Wagner, Phys. Rev. E 95, 063311 (2017)
[2] Aaron J. Feickert and Alexander J. Wagner, Phys. Rev. Materials 1, 033804 (2017)

A Density Functional Theory and Many Body Perturbation Theory Based Study of Charge Separation in Doped Silicon Nanowires
Nathan Walker

M.Sc. Candidate,
Department of Physics,
North Dakota State University

Monday, April 27, 2020, 3:00-4:00pm,

Online: contact Alexander Wagner for details

We analyze a toy model for p-n junction photovoltaic devices by simulating photoexcited state dynamics in silicon nanowires. One nanowire is  of diameter 1.17 nm.  The other  has an approximately rhombic cross-section with d1 = 1.16 nm and d2 = 1.71 nm.  Both nanowires have been doped with aluminum and phosphorus atoms and capped with gold leads. We use Boltzmann transport equation (BE) that includes phonon emission, carrier multiplication (CM), and exciton transfer. BE rates are computed using non-equilibrium finite-temperature many-body perturbation theory (MBPT) based on Density Functional Theory (DFT) simulations, including excitonic effects from Bethe-Salpeter Equation. We compute total charge transfer amount generated from the initial photoexcitation and find an enhancement when CM is included.

o either subscribe to or unsubscribe from this listserve please send an email to Listserv@listserv.nodak.edu with an empty subject and containing a body of
SUB NDSU-PHYSICS-SEMINAR or SIGNOFF NDSU-PHYSICS-SEMINAR respectively.

Top of page