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Submissions from 2005

Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis, SM Auerbach, M Jorge, and P Monson

Rheology and gelation kinetics in laponite dispersions containing poly(ethylene oxide), HA Baghdadi, H Sardinha, and SR Bhatia

First-principles analysis of precursor-surface reaction pathways relevant to plasma deposition of silicon thin films, T Bakos and D Maroudas

Temperature dependence of precursor-surface interactions in plasma deposition of silicon thin films, T Bakos, M Valipa, ES Aydil, and D Maroudas

Thermally activated mechanisms of hydrogen abstraction by growth precursors during plasma deposition of silicon thin films, T Bakos, MS Valipa, and D Maroudas

Ultra-small-angle scattering studies of complex fluids, SR Bhatia

Polyelectrolytes for cell encapsulation, SR Bhatia, SF Khattak, and SC Roberts

Nonlinear state estimation and model predictive control of nitrogen purification columns, SJ Bian, MA Henson, P Belanger, and L Megan

Compartmental modeling of high purity air separation columns, SJ Bian, S Khowinij, MA Henson, P Belanger, and L Megan

Solid-fluid equilibrium for organic molecules: understanding the link between molecular structure and phase diagrams, M Cao, AP Malanoski, JW Schroer, and PA Monson

A study of the phase behavior of a simple model of chiral molecules and enantiomeric mixtures, M Cao and PA Monson

A Parrinello-Rahman approach to vortex lattices, R Carretero-Gonzalez, PG Kevrekidis, IG Kevrekidis, D Maroudas, and DJ Frantzeskakis

Analysis of electromigration-induced void motion and surface oscillations in metallic thin-film interconnects, J Cho, MR Gungor, and D Maroudas

Effects of electromigration-induced void dynamics on the evolution of electrical resistance in metallic interconnect lines, J Cho, MR Gungor, and D Maroudas

Electromigration-induced wave propagation on surfaces of voids in metallic thin films: Hopf bifurcation for high grain symmetry, J Cho, MR Gungor, and D Maroudas

Large-scale structure in gels of attractive block copolymer micelles, MA Crichton and SR Bhatia

USANS as a probe of large-scale structure in attractive colloidal glasses of block copolymer micelles, MA Crichton, NS Forbes, and SR Bhatia

Asymptotic analysis of liquid films dip-coated onto chemically micropatterned surfaces, JM Davis

Generalized linear stability of noninertial coating flows over topographical features, JM Davis and SM Troian

Isotactic poly(propylene) crystallization: Role of small fractions of high or low molecular weight polymer, A Elmoumni, RA Gonzalez-Ruiz, EB Coughlin, and HH Winter

Atomic-scale analysis of strain relaxation mechanisms in ultra-thin metallic films, MR Gungor and D Maroudas

Atomistic mechanisms of strain relaxation due to ductile void growth in ultrathin films of face-centered-cubic metals, MR Gungor and D Maroudas

Relaxation of biaxial tensile strain in ultrathin metallic films: Ductile void growth versus nanocrystalline domain formation, MR Gungor and D Maroudas

Cell ensemble modeling of metabolic oscillations in continuous yeast cultures, MA Henson

Population modeling for ethanol productivity optimization in fed-batch yeast fermenters, J Hjersted and MA Henson

Templated synthesis of ZnSe nanostructures using lyotropic liquid crystals, GN Karanikolos, P Alexandridis, R Mallory, A Petrou, and TJ Mountziaris

Pluronic F127 as a cell encapsulation material: Utilization of membrane-stabilizing agents, SF Khattak, SR Bhatia, and SC Roberts

Dynamic compartmental modeling of nitrogen purification columns, S Khowinij, MA Henson, P Belanger, and L Megan

Strain relaxation in Si1-xGex thin films on Si(100) substrates: Modeling and comparisons with experiments, K Kolluri, LA Zepeda-Ruiz, CS Murthy, and D Maroudas

Does water condense in carbon pores?, JC Liu and PA Monson

Molecular modeling of adsorption in activated carbon: Comparison of monte carlo simulations with experiment, JC Liu and PA Monson

Long time stress relaxation of a triblock copolymer with asymmetric composition, P Mandare, R Horst, and HH Winter

Applicability of Born's stability criterion to face-centered-cubic crystals in [111] loading, F Milstein, JH Zhao, S Chantasiriwan, and D Maroudas

Recent progress in molecular modeling of adsorption and hysteresis in mesoporous materials, PA Monson

Cell cycle analysis of Taxus suspension cultures at the single cell level as an indicator of culture heterogeneity, MC Naill and SC Roberts

Culture of isolated single cells from Taxus suspensions for the propagation of superior cell populations, MC Naill and SC Roberts

Flow cytometric analysis of protein content in Taxus protoplasts and single cells as compared to aggregated suspension cultures, MC Naill and SC Roberts

Flow cytometric identification of paclitaxel-accumulating subpopulations, MC Naill and SC Roberts

Swelling behavior of partially cross-linked polymers: A ternary system, S Nandi and HH Winter

Dynamic aspects of mercury porosimetry: A lattice model study, F Porcheron and PA Monson

Molecular Modeling of mercury porosimetry, F Porcheron, PA Monson, and M Thommes

Structure and assembly of PEO-PPO-PEO co-polymers in mammalian cell-culture media, PK Sharma, JE Matthew, and SR Bhatia

New properties from PLA-PEO-PLA hydrogels, GN Tew, N Sanabria-DeLong, SK Agrawal, and SR Bhatia

Hysteresis and scanning behavior of mesoporous molecular sieves, GA Tompsett, L Krogh, DW Griffin, and WC Conner

Effects of catalyst and polymerization temperature on the in-situ polymerization of cyclic poly(butylene terephthalate) oligomers for composite applications, AR Tripathy, A Elmoumni, HH Winter, and WJ MacKnight

Visualizing the evolution of surface morphology and surface bond strain during plasma deposition of amorphous silicon thin films, MS Valipa, ES Aydil, and D Maroudas

Surface smoothening mechanism of amorphous silicon thin films, MS Valipa, T Bakos, ES Aydil, and D Maroudas

The role of SiH3 diffusion in determining the surface smoothness of plasma-deposited amorphous Si thin films: An atomic-scale analysis, MS Valipa, T Bakos, ES Aydil, and D Maroudas

Atomistic analysis of the mechanism of hydrogen diffusion in plasma-deposited amorphous silicon thin films, MS Valipa and D Maroudas

Atomic-scale analysis of fundamental mechanisms of surface valley filling during plasma deposition of amorphous silicon thin films, MS Valipa, S Sriraman, ES Aydil, and D Maroudas

Submissions from 2004

Rheological studies of PLLA-PEO-PLLA triblock copolymer hydrogels, KA Aamer, H Sardinha, SR Bhatia, and GN Tew

Hydrogen in Si-Si bond center and platelet-like defect configurations in amorphous hydrogenated silicon, S Agarwal, B Hoex, MCM van de Sanden, D Maroudas, and ES Aydil

Measurement of absolute radical densities in a plasma using modulated-beam line-of-sight threshold ionization mass spectrometry, S Agarwal, GWW Quax, MCM van de Sanden, D Maroudas, and ES Aydil

Density functional theory study of silica zeolite structures: Stabilities and mechanical properties of SOD, LTA, CHA, MOR, and MFI, R Astala, SM Auerbach, and PA Monson

Solid-fluid and solid-solid phase equilibrium in a model of n-alkane mixtures, M Cao and PA Monson

Electromigration-driven motion of morphologically stable voids in metallic thin films: Universal scaling of migration speed with void size, JS Cho, MR Gungor, and D Maroudas

Microwave synthesis of zeolites: 1. Reactor engineering, WC Conner, G Tompsett, KH Lee, and KS Yngvesson

Small-angle neutron scattering of poly(styrene)/poly(acrylic acid-ethyl acrylate) copolymers: The effect of the degree of hydrolysis of the poly(acrylic acid-ethyl acrylate) block, MA Crichton and SR Bhatia

Influence of boundary slip on the optimal excitations in thermocapillary driven spreading, JM Davis and SM Troian

Small angle light scattering analysis of isotactic polypropylene blends during crystallization., A Elmoumni, R Gonzalez-Ruiz, B Coughlin, and HH Winter

Strain effects on isotactic polypropylene crystallization., A Elmoumni and HH Winter

On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association, MH Ford, SM Auerbach, and PA Monson

Modeling the synchronization of yeast respiratory oscillations, MA Henson

Reduced order modeling of high purity distillation columns for nonlinear model predictive control, S Khowinij, S Bian, MA Henson, P Belanger, and L Megan

Block copolymers as low-VOC coatings for wood: characterization and tannin bleed resistance, AS Kimerling and SR Bhatia

Adsorption/desorption hysteresis in inkbottle pores: A density functional theory and Monte Carlo simulation study, B Libby and PA Monson

Dynamic modeling of crosslinking and gelation in continuous ethylene-propylene-diene polymerization reactors using the pseudo-kinetic constant approach, RJ Li, AB Corripio, KM Dooley, MA Henson, and MJ Kurtz

On-line state and parameter estimation of EPDM polymerization reactors using a hierarchical extended Kalman filter, RJ Li, AB Corripio, MA Henson, and MJ Kurtz

Selection of model parameters for off-line parameter estimation, RJ Li, MA Henson, and MJ Kurtz

Atomic pattern formation at the onset of stress-induced elastic instability: Fracture versus phase change, F Milstein, JH Zhao, and D Maroudas

Preparation of single cells from aggregated Taxus suspension cultures for population analysis, MC Naill and SC Roberts

Swelling behavior of partially crosslinked polymers: A ternary system., S Nandi and HH Winter

Open-pore morphology of i-PP copolymer crystallized from a gel state in supercritical propane, S Nandi, HH Winter, and HG Fritz

Modeling mercury porosimetry using statistical mechanics, F Porcheron and PA Monson

PLA-PEO-PLA hydrogels from triblock copolymers., N Sanabria-DeLong, S Agrawal, K Aamer, SR Bhatia, and GN Tew

Effect of anti-inflammatories on Pluronic (R) F127: micellar assembly, gelation and partitioning, PK Sharma and SR Bhatia

The effects of drugs on Pluronic F127 structure, PK Sharma and SR Bhatia

Coarse bifurcation diagrams via microscopic simulators: A state-feedback control-based approach, CI Siettos, IG Kevrekidis, and D Maroudas

Growth and characterization of hydrogenated amorphous silicon thin films from SiH2 radical precursor: Atomic-scale analysis, S Sriraman, ES Aydil, and D Maroudas

Atomistic calculation of the SiH3 surface reactivity during plasma deposition of amorphous silicon thin films, MS Valipa, ES Aydil, and D Maroudas

Studies of a primitive model of mixtures of nonpolar molecules with water, SJ Wierzchowski and PA Monson

Modeling desorption of fluids from disordered mesoporous materials, HJ Woo, F Porcheron, and PA Monson

Submissions from 2003

Effect of molecular weight on the flow-induced crystallization of isotactic poly(1-butene), S Acierno, B Palomba, HH Winter, and N Grizzuti

Absolute densities of N and excited N-2 in a N-2 plasma, S Agarwal, B Hoex, MCM van de Sanden, D Maroudas, and ES Aydil

Nonlinear parameter estimation for solution-diffusion models of membrane pervaporation, B Cao and MA Henson

Structure and intermicellar interactions in block polyelectrolyte assemblies, M Crichton and S Bhatia

Correlation of material and processing time scales with structure development in isotactic polypropylene crystallization., A Elmoumni, H Fruitwala, and HH Winter

Correlation of material and processing time scales with structure development in isotactic polypropylene crystallization, A Elmoumni, HH Winter, AJ Waddon, and H Fruitwala

Physical gelation of crystallizing metallocene and Ziegler-Natta ethylene-hexene copolymers, M Gelfer, RH Horst, HH Winter, AM Heintz, and SL Hsu

Distribution control of particulate systems based on population balance equation models, MA Henson

Dynamic modeling and control of yeast cell populations in continuous biochemical reactors, MA Henson

Dynamic modeling of microbial cell populations, MA Henson

Compression stress relaxation apparatus for the long-time monitoring of the incremental modulus, RH Horst, TS Stephens, JE Coons, and HH Winter

Designing an in vitro cell cell culture model to predict drug pharmacokinetics and stability, SF Khattak and SC Roberts

Solid-fluid equilibrium in molecular models of n-alkanes (vol 110, pg 664, 1999), AP Malanoski and PA Monson

Dr. Shivaji Sircar, PA Monson, AL Myers, and NO Lemcoff

Investigating cell subpopulation dynamics of taxus cell suspension cultures: A single cell method., MC Naill and SC Roberts

A simple method for enhancing paclitaxel release from Taxus canadensis cell suspension cultures utilizing cell wall digesting enzymes, SC Roberts, M Naill, DM Gibson, and ML Shuler

Understanding congruent melting in binary solids: Molecular models of benzene-hexafluorobenzene mixtures, JW Schroer and PA Monson

Mechanism and energetics of dimerization of SiH2 radicals on H-terminated Si(001)-(2 x 1) surfaces, S Sriraman, P Mahalingam, ES Aydil, and D Maroudas