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Search Publications by: Vincent K. Shen (Fed)

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Displaying 1 - 25 of 73

Classification and Authentication of Materials using Prompt Gamma Ray Activation Analysis

July 12, 2023
Author(s)
Nathan Mahynski, Jacob Monroe, David Sheen, Rick L. Paul, Heather H. Chen-Mayer, Vincent K. Shen
Prompt gamma ray activation analysis (PGAA) is a non-destructive nuclear measurement technique that quantifies isotopes present in a sample. Here, we use PGAA spectra to train different types of models to elucidate how discriminating these spectra are for

Derivable genetic programming for two-dimensional colloidal materials

September 21, 2022
Author(s)
Nathan Mahynski, Bliss Han, Daniel Markiewitz, Vincent K. Shen
We describe a method for deriving surface functionalization patterns for colloidal systems that can induce self-assembly into any chosen periodic symmetry at a planar interface. The result is a sequence of letters, s ∈ A,T,C,G}, or a gene, that describes

Seabird Tissue Archival and Monitoring Project (STAMP) Data from 1999-2010

December 17, 2021
Author(s)
Nathan Mahynski, Jared Ragland, Stacy Schuur, Rebecca Pugh, Vincent K. Shen
The multi-entity, long-term Seabird Tissue Archival and Monitoring Project (STAMP) has collected eggs from various avian species throughout the North Pacific Ocean for over 20 years to create a geospatial and temporal record of environmental conditions

On the virial expansion of model adsorptive systems

November 9, 2021
Author(s)
William P. Krekelberg, Vincent K. Shen
We investigate super critical adsorptive properties of various model systems of variable fluid- solid attractive strengths using the confined-density virial expansion, with coefficients calculated using the Mayer-sampling Monte Carlo method up to fifth

Extrapolation And Interpolation Strategies For Efficiently Estimating Structural Observables As a Function Of Temperature And Density

October 8, 2020
Author(s)
Jacob I. Monroe, Harold Wickes Hatch, Nathan NMN Mahynski, M. Scott Shell, Vincent K. Shen
Thermodynamic extrapolation has previously been used to predict arbitrary structural observables in molecular simulations at temperatures (or relative chemical potentials in open- system mixtures) different from those at which the simulation was performed

Flat-Histogram Extrapolation as a Useful Tool in the Age of Big Data

April 13, 2020
Author(s)
Nathan Mahynski, Harold Hatch, Matthew Witman, David Sheen, Jeffrey R. Errington, Vincent K. Shen
Here we review recent work by the authors to revisit the concept of extrapolating thermodynamic properties of classical systems using statistical mechanical principles. Specifically, we discuss how the combination of these principles with biased sampling

Symmetry-based crystal structure enumeration in two dimensions

March 16, 2020
Author(s)
Evan Pretti, Vincent K. Shen, Jeetain Mittal, Nathan Mahynski
The accurate prediction of stable crystalline phases is a long-standing problem encountered in the study of conventional atomic and molecular solids as well as soft materials. One possible solution involves enumerating a reasonable set of candidate

Grand Canonical Inverse Design of Multicomponent Colloidal Crystals

February 19, 2020
Author(s)
Nathan Mahynski, Evan Pretti, Runfang Mao, Vincent K. Shen, Jeetain Mittal
Inverse design methods are powerful computational approaches for creating colloidal systems which self-assemble into a target morphology by reverse engineering the Hamiltonian of the system. Despite this, these optimization procedures tend to yield

Dynamic Arrest of Adhesive Hard Rod Dispersions

February 7, 2020
Author(s)
Ryan P Murphy, Harold Wickes Hatch, Nathan NMN Mahynski, Vincent K. Shen, Norman J. Wagner
Dynamic arrest transitions of model, thermoreversible dispersions of adhesive hard rods are measured as a function of absolute temperature Τ = 15 -40 °C, aspect ration L/D{approximately equal}3-7, and volume fraction φ0.1-0.5. The critical gel temperature

Using Symmetry To Elucidate the Role Of Stoichiometry In Colloidal Crystal Assembly

May 2, 2019
Author(s)
Nathan Mahynski, Evan Pretti, Vincent K. Shen, Jeetain Mittal
We demonstrate a method based on symmetry to predict the structure of multi-component colloidal mixtures. In this work we focus on two-dimensional systems, for which the method allows us to exhaustively enumerate candidates from all wallpaper groups

Designing Molecular Building Blocks for the Self-assembly of Complex Porous Networks

March 19, 2019
Author(s)
Tiara A. Maula, Harold Hatch, Vincent K. Shen, Rangarajan Srinivas, Jeetain Mittal
Molecular building blocks which self-assemble into large ordered porous networks have been long sought-after, and have led to the development of metal organic frameworks and covalent organic frameworks. However, despite the great potential possessed by

Monte Carlo Simulation of Cylinders with Short-Range Attractions

September 12, 2018
Author(s)
Harold W. Hatch, Nathan Mahynski, R. P. Murphy, Marco Blanco, Vincent K. Shen
Cylindrical or rod-like particles are promising materials for the applications of fillers in nanocomposite ma- terials and additives to control rheological properties of colloidal suspensions. Recent advances in particle synthesis allows for cylinders to

Programmable assembly of three-dimensional binary superlattices from multi-flavored DNA- functionalized particles

July 10, 2018
Author(s)
Evan Pretti, Hasan Zerze, Minseok Song, Yajun Ding, Nathan Mahynski, Harold Hatch, Vincent K. Shen, Jeetain Mittal
Programmable self-assembly of nano- or micron-sized colloidal particles can be achieved by grafting single- stranded DNA sequences onto the surfaces of colloids. However, this assembly is traditionally premised on the pairwise interaction between a single

Predicting structural properties of fluids by thermodynamic extrapolation

May 16, 2018
Author(s)
Nathan Mahynski, Sally Jiao, Harold W. Hatch, Marco A. Blanco Medina, Vincent K. Shen
We describe a methodology for extrapolating the structural properties of multicomponent fluids from one thermodynamic state to another. These properties generally include features of a system that may be computed from an individual configuration such as