HPC Faculty Research
112A Engineeering Research Laboratories, Rolla, MO 65409
(573) 341-4451
hpc@mst.edu
HPC center researchers are prolific in writing publications, having published over 300 refereed journal articles since the center opened in January 2014. In that same time period, center members have written 50 conference proceedings, authored four book chapters and been awarded six patents.
Submissions from 2015
Molecular Dynamic Study of the Mechanical Properties of Two-Dimensional Titanium Carbides Tiₙ₊₁Cₙ (MXenes), Vadym N. Borysiuk, Vadym Mochalin, and Yury G. Gogotsi
Uncertainty Analysis of Fluid-Structure Interaction of a Deformable Hypersonic Inflatable Aerodynamic Decelerator, Andrew J. Brune, Serhat Hosder, and Karl T. Edquist
Variable Transpiration Cooling Effectiveness in Laminar and Turbulent Flows for Hypersonic Vehicles, Andrew J. Brune, Serhat Hosder, S. Gulli, and L. Maddalena
Uncertainty Analysis of Mars Entry Flows Over a Hypersonic Inflatable Aerodynamic Decelerator, Andrew J. Brune, Thomas K. West IV, Serhat Hosder, and Karl T. Edquist
An Iterative Immersed Finite Element Method for an Electric Potential Interface Problem Based on Given Surface Electric Quantity, Yong Cao, Yuchuan Chu, Xiaoming He, and Tao Lin
Classical Description of H(1s) and H* (n=2) for Cross-Section Calculations Relevant to Charge-Exchange Diagnostics, N. D. Cariatore, Sebastian Otranto, and Ronald E. Olson
Analytical Evaluation of Scattering Parameters for Equivalent Circuit of through Silicon Via Array, R. Cecchetti, Stefano Piersanti, Francesco de Paulis, Antonio Orlandi, and Jun Fan
Crosstalk Impact of Periodic-Coupled Routing on Eye Opening of High-Speed Links in PCBs, Arun Reddy Chada, Bhyrav Mutnury, Jun Fan, and James L. Drewniak
Quantifying the Impact of FEXT on Eye Margin for Coupled Lines in Inhomogeneous Media, Arun Reddy Chada, Bhyrav Mutnury, Jun Fan, and James L. Drewniak
Observation of Two-Center Interference Effects for Electron Impact Ionization of N₂, Hari Chaluvadi, Zehra Nur Ozer, Mevlut Dogan, Chuangang Ning, James Colgan, and Don H. Madison
A Novel De-Embedding Method Suitable for Transmission-Line Measurement, Bichen Chen, Xiaoning Ye, Bill Samaras, and Jun Fan
Mechanical Quadrature Methods and their Extrapolations for Solving the First Kind Boundary Integral Equations of Stokes Equation, Chong Chen, Xiaoming He, and Jin Huang
A Coherent Phonon Pulse Model for Transient Phonon Thermal Transport, Xiang Chen, Aleksandr V. Chernatynskiy, Liming Xiong, and Youping Chen
Anharmonic Properties in Mg₂X (X= C, Si, Ge, Sn, Pb) from First-Principles Calculations, Aleksandr V. Chernatynskiy and Simon R. Phillpot
Phonon Transport Simulator (PhonTS), Aleksandr V. Chernatynskiy and Simon R. Phillpot
Anisotropy in Oxidation of Zirconium Surfaces from Density Functional Theory Calculations, Tsu-Wu Chiang, Aleksandr V. Chernatynskiy, Mark J. Noordhoek, Susan Sinnott, and Simon R. Phillpot
Ligand Field Influence on the Electronic and Magnetic Properties of Quasi-linear Two-coordinate Iron(II) Complexes, Nicholas F. Chilton, Hao Lei, Aimee M. Bryan, Fernande Grandjean, Gary J. Long, and Philip P. Power
Computational Discovery of Lanthanide Doped and Co-Doped Y₃Al₅O₁₂ for Optoelectronic Applications, Kamal Kumar Choudhary, Aleksandr V. Chernatynskiy, Kiran Mathew, Eric W. Bucholz, Simon R. Phillpot, Susan Sinnott, and Richard G. Hennig
Charge Optimized Many-Body (COMB) Potential for Al₂O₃ Materials, Interfaces, and Nanostructures, Kamal Kumar Choudhary, Tao Liang, Aleksandr V. Chernatynskiy, Simon R. Phillpot, and Susan Sinnott
Fuzzy Adaptive Resonance Theory, Diffusion Maps and their Applications to Clustering and Biclustering, S. B. Damelin, Y. Gu, Donald C. Wunsch, and Rui Xu
Multi-Prototype Local Density-Based Hierarchical Clustering, Leonardo Enzo Da Silva and Donald C. Wunsch
New Views Author Profile, Richard Dawes
UV Absorption Spectrum and Photodissociation Channels of the Simplest Criegee Intermediate (CH₂OO), Richard Dawes, Bin Jiang, and Hua Guo
Fast Approximation of Sine and Cosine Hyperbolic Functions for the Calculation of the Transmission Matrix of a Multiconductor Transmission Line, Nana Dikhaminjia, Jemal L. Rogava, Mikheil Tsiklauri, Mikhail Zvonkin, Jun Fan, and James L. Drewniak
Computing the Ground and First Excited States of Fractional Schrodinger Equations in an Inifinite Potential Well, Siwei Duo and Yanzhi Zhang
Pore Pressure Evolution and Fluid Flow During Visco-Elastic Single-Layer Buckle Folding, Andreas Eckert, X. Liu, and P. Connolly
The Role of Deformation History of Buckle Folds on Sustainable Pore Pressure Magnitudes, Andreas Eckert and Xiaolong Liu
Numerical Estimates of the Maximum Sustainable Pore Pressure in Anticline Formations using the Tensor Based Concept of Pore Pressure-Stress Coupling, Andreas Eckert, W. Zhang, X. Liu, and M. Paradeis
PEEC Macromodels for above Plane Decoupling Capacitors, Xiang Fang, Tamar Makharashvili, Albert E. Ruehli, Jun Fan, James L. Drewniak, Bruce R. Archambeault, and Matteo Cocchini
The Instability of Ni{N(SiMe₃)₂}₂: A Fifty Year Old Transition Metal Silylamide Mystery, Michelle A. Faust, Aimee M. Bryan, Akseli Mansikkamäki, Petra Vasko, Marilyn M. Olmstead, Heikki M. Tuononen, Fernande Grandjean, Gary J. Long, and Philip P. Power
Preface, Gennady Fridman, Jeremy Levesley, Ivan Tyukin, and Donald C. Wunsch
Profit-Sharing between an Open-Source Firm and Application Developers -- Maximizing Profits from Applications and In-Application Advertisements, Nobuyuki Fukawa and Yanzhi Zhang
Training Recurrent Neural Networks with the Levenberg-Marquardt Algorithm for Optimal Control of a Grid-Connected Converter, Xingang Fu, Shuhui Li, Michael Fairbank, Donald C. Wunsch, and Eduardo Alonso
Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe₂ Complex, Alexandra I. Gaudette, Ie Rang Jeon, John Stuart Anderson, Fernande Grandjean, Gary J. Long, and T. David Harris
A Study of the Monohydrate and Dihydrate Complexes of Perfluoropropionic Acid using Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectroscopy, Gary S. Grubbs, Daniel A. Obenchain, Derek S. Frank, Stewart E. Novick, S. A. Cooke, Agapito Serrato, and Wei Lin
Investigation of S21 Magnitude Extraction Methodologies by using a Pattern Generator and Sampling Oscilloscope, Xinyun Guo, Ketan Shringarpure, Fadi H. Daou, and Jun Fan
A Comparison of Genetic Programming Variants for Hyper-Heuristics, Sean Harris, Travis Bueter, and Daniel R. Tauritz
A Domain Decomposition Method for the Steady-State Navier-Stokes-Darcy Model with Beavers-Joseph Interface Condition, Xiaoming He, Jian Li, Yanping Lin, and Ju Ming
Effect of Plastic Incompatibility on the Strain Hardening Behavior of Al-TiN Nanolayered Composites, Sixie Huang, Jian Wang, and Caizhi Zhou
Big Data -- A 21st Century Science Maginot Line? No-Boundary Thinking: Shifting from the Big Data Paradigm, Xiuzhen Huang, Steven F. Jennings, Barry Bruce, Alison Buchan, Liming Cai, Pengyin Chen, Carole Cramer, Weihua Guan, Uwe KK Hilgert, Hongmei Jiang, Zenglu Li, Gail McClure, Donald F. McMullen, Bindu Nanduri, Andy Perkins, Bhanu Rekepalli, Saeed Salem, Jennifer Specker, Karl Walker, Donald C. Wunsch, Donghai Xiong, Shuzhong Zhang, Yu Zhang, Zhongming Zhao, and Jason H. Moore
Euler-Maclaurin Expansions and Approximations of Hypersingular Integrals, Chaolang Hu, Xiaoming He, and Tao Lü
Three-Dimensional IFE-PIC Numerical Simulation of Background Pressure's Effect on Accelerator Grid Impingement Current for Ion Optics, Honghua Jian, Yuchuan Chu, Huijun Cao, Yong Cao, Xiaoming He, and Guangqing Xia
Extraction of Permittivity and Permeability for Ferrites and Flexible Magnetodielectric Materials using a Genetic Algorithm, Shenhui Jing, Yaojiang Zhang, Jing Li, Dazhao Liu, Marina Y. Koledintseva, David Pommerenke, Jun Fan, and James L. Drewniak
Electron- and Photon-Impact Ionization of Furfural, D. B. Jones, E. Ali, K. L. Nixon, P. Limão-Vieira, M.-J. Hubin-Franskin, J. Delwiche, C. G. Ning, J. Colgan, Andrew J. Murray, Don H. Madison, and M .J. Brunger
Combined Experimental and Computational Methods Reveal the Evolution of Buried Interfaces During Synthesis of Ferroelectric Thin Films, Jacob L. Jones, James M. LeBeau, Jason Nikkel, Adedapo A. Oni, Joseph Houston Dycus, Clayton Cozzan, Fang Yin Lin, Aleksandr V. Chernatynskiy, Juan Claudio Nino, Susan Sinnott, Sung Wook Mhin, Geoff L. Brennecka, and Jon F. Ihlefeld
A Hybrid of Computational Intelligence Techniques for Shape Analysis of Traffic Flow Curves, Wasim Kayani, Shikhar P. Acharya, Ivan G. Guardiola, Donald C. Wunsch, and Brian Schumacher
Composition-Dependent Structural and Transport Properties of Amorphous Transparent Conducting Oxides, Rabi Khanal, D. Bruce Buchholz, Robert P. Chang, and Julia E. Medvedeva
On-Chip Linear Voltage Regulator Module (VRM) Effect on Power Distribution Network (PDN) Noise and Jitter at High-Speed Output Buffer, Heegon Kim, Sukjin Kim, Joungho Kim, Changwook Yoon, Yingook Kim, Brice Achkir, and Jun Fan
Solid-Phase Synthesis, Characterization, and Cellular Activities of Collagen-Model Nanodiamond-Peptide Conjugates, Anna M. Knapinska, Dorota Tokmina-Roszyk, Sabrina Amar, Michal Tokmina-Roszyk, Vadym Mochalin, Yury Gogotsi, Patrick Cosme, Andrew C. Terentis, and Gregg B. Fields
Applicability of the Multiple-Event Stacking Technique for Shear-Wave Splitting Analysis, Fansheng Kong, Stephen S. Gao, and Kelly H. Liu
A Systematic Comparison of the Transverse Energy Minimization and Splitting Intensity Techniques for Measuring Shear-Wave Splitting Parameters, Fansheng Kong, Stephen S. Gao, and Kelly H. Liu
An ab initio Investigation of the Effect of Alloying Elements on the Elastic Properties and Magnetic Behavior of Ni₃Al, Aakash Kumar, Aleksandr V. Chernatynskiy, Minki Hong, Simon R. Phillpot, and Susan Sinnott
Charge Optimized Many-Body (COMB) Potential for Dynamical Simulation of Ni-Al Phases, Aakash Kumar, Aleksandr V. Chernatynskiy, Tao Liang, Kamal Kumar Choudhary, Mark J. Noordhoek, Yu Ting Cheng, Simon R. Phillpot, and Susan Sinnott
Corrigendum: Charge Optimized Many-Body (COMB) Potential for Dynamical Simulation of Ni-Al Phases (J. Phys: Condens. Matter (2015) 27 (336302)), Aakash Kumar, Aleksandr V. Chernatynskiy, Tao Liang, Kamal Kumar Choudhary, Mark J. Noordhoek, Yu Ting Cheng, Simon R. Phillpot, and Susan Sinnott
Clustering Data of Mixed Categorical and Numerical Type with Unsupervised Feature Learning, Dao Lam, Mingzhen Wei, and Donald C. Wunsch
Effect of Pores and He Bubbles on the Thermal Transport Properties of UO₂ By Molecular Dynamics Simulation, Chan Woo Lee, Aleksandr V. Chernatynskiy, Piyush N. Shukla, Roger E. Stoller, Susan Sinnott, and Simon R. Phillpot
Design of On-Chip Linear Voltage Regulator Module and Measurement of Power Distribution Network Noise Fluctuation at High-Speed Output Buffer, Manho Lee, Heegon Kim, Sukjin Kim, Joungho Kim, Jonghyun Cho, Changwook Yoon, Brice Achkir, Jingook Kim, and Jun Fan
Multi-Objective Aeroacoustic Shape Optimization By Variable-Fidelity Models and Response Surface Surrogates, Leifur Leifsson, Slawomir Koziel, Y. A. Tesfahuneng, and Serhat Hosder
Boron Nitride Colloidal Solutions, Ultralight Aerogels and Freestanding Membranes through One-Step Exfoliation and Functionalization, Weiwei Lei, Vadym Mochalin, Dan Liu, Si Qin, Yury G. Gogotsi, and Ying Chen
Azimuthal Anisotropy beneath North Central Africa from Shear Wave Splitting Analyses, Awad A. Lemnifi, Kelly H. Liu, Stephen S. Gao, Cory A. Reed, Ahmed A. Elsheikh, Youqiang Yu, and Abdala A. Elmelade
Direct Numerical Simulation of Transition Due to Traveling Crossflow Vortices, Fei Li, Meelan M. Choudhari, and Lian Duan
Secondary Instability of Stationary Crossflow Vortices in Mach 6 Boundary Layer over a Circular Cone, Fei Li, Meelan Choudhari, Pedro Paredes-Gonzalez, and Lian Duan
EMI Coupling Paths and Mitigation in a Board-to-Board Connector, Jing Li, Xiao Li, Sukhjinder Toor, Hongmei Fan, Alpesh U. Bhobe, Jun Fan, and James L. Drewniak
Radiation Physics from Two-Wire Transmission Lines, Jing Li, Yaojiang Zhang, Dazhao Liu, Alpesh U. Bhobe, James L. Drewniak, and Jun Fan
From Ab Initio Potential Energy Surfaces to State-resolved Reactivities: X + H₂O ↔ HX + OH [X = F, Cl, and O(³P)] Reactions, Jun Li, Bin Jiang, Hongwei Song, Jianyi Ma, Bin Zhao, Richard Dawes, and Hua Guo
Measurement Validation for Radio-Frequency Interference Estimation by Reciprocity Theorem, Liang Li, Jingnan Pan, Chulsoon Hwang, Gyuyeong Cho, Harkbyeong Park, Yaojiang Zhang, and Jun Fan
Near-Field Coupling Estimation by Source Reconstruction and Huygens's Equivalence Principle, Liang Li, Jingnan Pan, Chulsoon Hwang, Gyuyeong Cho, Harkbyeong Park, Yaojiang Zhang, and Jun Fan
Ab Initio Simulation of Alloying Effect on Stacking Fault Energy in Fcc Fe, K. R. Limmer, Julia E. Medvedeva, David C. Van Aken, and N. I. Medvedeva
Salts of the Two-coordinate Homoleptic Manganese(I) Dialkyl Anion [Mn{C(SiMe₃)₃}₂]₂ˉ with Quenched Orbital Magnetism, Chun-Yi Lin, James C. Fettinger, Nicholas F. Chilton, Alasdair Formanuik, Fernande Grandjean, Gary J. Long, and Philip P. Power
Systems, Methods and Devices for Vector Control of Permanent Magnet Synchronous Machines using Artificial Neural Networks, Shuhui Li, Michael Fairbank, Xingang Fu, Donald C. Wunsch, and Eduardo Alonso
Neural-Network Based Vector Control of VSCHVDC Transmission Systems, Shuhui Li, Xingang Fu, Eduardo Alonso, Michael Fairbank, and Donald C. Wunsch
Control of Three-Phase Grid-Connected Microgrids using Artificial Neural Networks, Shuhui Li, Xingang Fu, Ishan Jaithwa, Eduardo Alonso, Michael Fairbank, and Donald C. Wunsch
Optical Conductivity of Mayenite: From Insulator to Metal, R. P. S. M. Lobo, N. Bontemps, M. I. Bertoni, T. O. Mason, K. R. Poeppelmeier, A. J. Freeman, M. S. Park, and Julia E. Medvedeva
Combined Mössbauer Spectral and Density Functional Study of an Eight-Coordinate Iron(II) Complex, Gary J. Long, Fernande Grandjean, Todd C. Harrop, Heather M. Petroccia, and Georgia C. Papaefthymiou
Nanoindentation of Zr By Molecular Dynamics Simulation, Zizhe Lu, Aleksandr V. Chernatynskiy, Mark J. Noordhoek, Susan Sinnott, and Simon R. Phillpot
Deformation Processes in Polycrystalline Zr By Molecular Dynamics Simulations, Zizhe Lu, Mark J. Noordhoek, Aleksandr V. Chernatynskiy, Susan Sinnott, and Simon R. Phillpot
Explicitly Correlated MRCI-F12 Potential Energy Surfaces for Methane Fit with Several Permutation Invariant Schemes and Full-dimensional Vibrational Calculations, Moumita Majumder, Samuel E. Hegger, Richard Dawes, Sergei Manzhos, Xiaogang Wang, Tucker Carrington Jr., Jun Li, and Hua Guo
Effect of Variant Strain Accommodation on the Three-Dimensional Microstructure Formation during Martensitic Transformation: Application to Zirconia, Mahmood Mamivand, Mohsen Asle Zaeem, and Haitham El Kadiri
Neural Network-based Approaches for Building High Dimensional and Quantum Dynamics-friendly Potential Energy Surfaces, Sergei Manzhos, Richard Dawes, and Tucker Carrington Jr.
Asynchronous Parallel Evolutionary Algorithms: Leveraging Heterogeneous Fitness Evaluation Times for Scalability and Elitist Parsimony Pressure, Matthew A. Martin, Alex R. Bertels, and Daniel R. Tauritz
Hyper-Heuristics: A Study on Increasing Primitive-space, Matthew A. Martin and Daniel R. Tauritz
Long-Range Structural Correlations in Amorphous Ternary In-based Oxides, Julia E. Medvedeva and Rabi Khanal
Stability of Binary and Ternary M₂₃C₆ Carbides from First Principles, N. I. Medvedeva, David C. Van Aken, and Julia E. Medvedeva
Adaptive Scaling of Cluster Boundaries for Large-Scale Social Media Data Clustering, Lei Meng, Ah-Hwee Tan, and Donald C. Wunsch
Automated Construction of Potential Energy Surfaces, Calvin Mukarakate, Steve Alexandre Ndengué, and Richard Dawes
Rotational Excitations in Co-Co Collisions at Low Temperature: Time-independent and Multiconfigurational Time-dependent Hartree Calculations, Steve Alexandre Ndengué, Richard Dawes, and Fabien Gatti
Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method, Steve Alexandre Ndengué, Richard Dawes, Fabien Gatti, and Hans Dieter Meyer
Towards a Global Model of Spin-orbit Coupling in the Halocarbenes, Silver Nyambo, Cyrus Karshenas, Scott A. Reid, Phalgun Lolur, and Richard Dawes
Sorting the Phenotypic Heterogeneity of Autism Spectrum Disorders: A Hierarchical Clustering Model, Tayo Obafemi-Ajayi, Dao Lam, T. Nicole Takahashi, Stephen Kanne, and Donald C. Wunsch
Interference Effects for Intermediate Energy Electron-Impact Ionization of H₂ and N₂ Molecules, Zehra Nur Ozer, Hari Chaluvadi, Don H. Madison, and Mevlut Dogan
Single Crystal Formation in Micro/Nano-Confined Domains by Melt-Mediated Crystallization without Seeds, Heng Pan and Wan Shou
Far-Field Prediction by only Magnetic Near Fields on a Simplified Huygens's Surface, Jingnan Pan, Xu Gao, and Jun Fan
Application of Dipole-Moment Model in EMI Estimation, Jingnan Pan, Liang Li, Xu Gao, Jun Fan, Chulsoon Hwang, Gyuyeong Cho, and Harkbyeong Park
An Efficient Method to Extract Surface-Wave Poles of Green's Functions near Branch Cut in Lossy Layered Media, Siming Pan and Jun Fan
Significant Capacity and Cycle-Life Improvement of Lithium-Ion Batteries through Ultrathin Conductive Film Stabilized Cathode Particles, Rajankumar L. Patel, Hui Xie, Jonghyun Park, Hooman Yaghoobnejad Asl, Amitava Choudhury, and Xinhua Liang
Effects of Time-Variant Non-Linear TSV Parameters on Transient Analysis for Signal Integrity, S. Piersanti, Francesco de Paulis, Antonio Orlandi, Brice Achkir, and Jun Fan
Impact of Frequency-Dependent and Nonlinear Parameters on Transient Analysis of Through Silicon Vias Equivalent Circuit, Stefano Piersanti, Francesco de Paulis, Antonio Orlandi, and Jun Fan
Equivalent Circuit Modeling of Dielectric Hysteresis Loops in Through Silicon Vias, Stefano Piersanti, Francesco de Paulis, Antonio Orlandi, DongHyun Kim, Joungho Kim, and Jun Fan
Multifractal Analysis of Electronic States on Random Voronoi-Delaunay Lattices, Martin Puschmann, Philipp Cain, Michael Schreiber, and Thomas Vojta
A Planar Low-Profile Meander Antenna Design for Wireless Terminal Achieving Low Self-Interference, Yihong Qi, Jun Fan, Ye-Hai Bi, Wei Yu, and James L. Drewniak
