Preprints

Recent Publications

I. Khatri and J.G. Amar, "Mechanisms of CdTe(100) sublimation", Surface Science 725, 122147 (2022)

S. Hamadna, I. Khatri, E.H. Sabbar, and J.G. Amar, "Effects of short-range attachment barriers on submonolayer growth", Surface Science 715, 121938 (2022)

I. Khatri, N.J. Szymanski, B.B. Dumre, J.G. Amar, D. Gall, and S.V. Khare, "Correlating structure and orbital occupation with the stability and mechanical properties of 3d transition metal carbides", Journal of Alloys and Compounds 891, 161866 (2022)

I. Khatri, E.H. Sabbar, Y. Shim, J.G. Amar, "Kinetically driven island morphology in growth on strained Cu(100)", The Journal of Chemical Physics 155 (7), 074703 (2021)

Peuli Nath, Sameer Sayel Hamadna, Leshern Karamchand, John Foster, Raoul Kopelman, Jacques G Amar, and Aniruddha Ray, "Intracellular detection of singlet oxygen using fluorescent nanosensors", Analyst 146, 3933-3941 (2021)

I. Khatri, E.H. Sabbar, Y. Shim, and J.G. Amar, "Mechanism of stacking fault formation in metal (100) heteroepitaxial growth", Physical Review Materials 4 (11), 113403 (2020)

I. Khatri and J. G. Amar, "Energy, temperature, and deposition angle dependence of Cd and Te2 deposited on CdTe", Thin Solid Films 697, 137798 (2020)

N. J. Szymanski, I. Khatri, J. G. Amar, D. Gall, S. V. Khare, "Unconventional superconductivity in 3d rocksalt transition metal carbides", Journal of Materials Chemistry C 7, 12619 (2019).

J.G. Amar, E. Ben-Naim, S.M. Davis, and P.L. Krapivsky, "Extinction and survival in two-species annihilation", Physical Review E 97, 022112 (2018)

E.H. Sabbar, N.N. Poddar, and Jacques G. Amar, "Irreversible island nucleation and growth with anomalous diffusion in d >= 2", Physica A 508, 567 (2018)

Yunsic Shim and Jacques G. Amar, "Step instabilities in Fe/Cu(100) growth", Physical Review Materials 1, 043403 (2017)

E.H. Sabbar and J.G. Amar, "Reversible island nucleation and growth with anomalous diffusion", Surface Science 664, 38 (2017)

E.H. Sabbar and J.G. Amar, "Island nucleation and growth with anomalous diffusion in one-dimension", Journal of Chemical Physics 146, 074702 (2017)

Y. Shim and J.G. Amar, "Improved scaling of temperature-accelerated dynamics using localization", Journal of Chemical Physics 145, 014105 (2016) Copyright (2016) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

J.G. Amar and Mikhael Semaan, "Island nucleation and growth with anomalous diffusion", Physical Review E 93, 062805 (2016). Anomalous Diffusion

Y. Shim and J.G. Amar, "Ab initio study of early stage Nb growth on MgO(001)", Surface Science 645, 80 (2016). Nb-MgO.pdf

B.C. Hubartt and J.G. Amar, "Critical island-size, stability, and morphology of 2D colloidal Au nanoparticle islands", Journal of Chemical Physics 142, 024709 (2015) Copyright (2015) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

B.C. Hubartt and J.G. Amar, "Large-amplitude thermal oscillations in defected, tilted nanocolumns", Applied Physics Letters 105, 193107 (2014). NanocolumnAPL.pdf

D. Kwon, Y. Shim, J.G. Amar, and A.D. Compaan, "Grain growth, anomalous scaling, and grain boundary grooving in polycrystalline CdTe thin films", Journal of Applied Physics 116, 183501 (2014). CdTegrowthJAP.pdf

C.P. Joshi, Y. Shim, T. Bigioni, and J.G. Amar, "Critical island-size, scaling and ordering in colloidal nanoparticle self-assembly", Physical Review E 90, 032406 (2014). ColloidalNP-PRE2014.pdf

N. Poddar and J.G. Amar, "Adsorption and diffusion of colloidal Au nanoparticles at a liquid-vapor interface"; Journal of Chemical Physics 140, 244702 (2014) Copyright (2014) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

B.C. Hubartt, X. Liu, and J. G. Amar, "Large-scale molecular dynamics simulations of glancing angle deposition; Journal of Applied Physics 114, 083517 (2013) Copyright (2013) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

J.G. Amar, Y. Shim, and R.T. Deck, "Critical island size for a shape transition in strained Cu/Ni(100) islands" Surface Science 616, 120 (2013). Strain-surfsci.pdf

Y. Shim, N.B. Callahan, and J.G. Amar, "Localized saddle-point search and application to temperature-accelerated dynamics; Journal of Chemical Physics 138, 094101 (2013) Copyright (2013) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Yunsic Shim and Jacques G. Amar, "Shape transitions in strained Cu islands on Ni(100): kinetics versus energetics" Physical Review Letters 108, 076102 (2012). CuNi-islands.pdf

B. Hubartt, Y.A. Kryukov, and J.G. Amar, "Rate-equation approach to irreversible island growth with cluster diffusion" Physical Review E 84, 021604 (2011). HubarttKryukovAmarPRE.pdf

Yunsic Shim and Jacques G. Amar, "Ab initio study of edge-smoothing, atom attraction and downward funneling in Ag/Ag(100)," Physical Review B 83 245419(2011). DFTAgPRB.pdf

Yevgen Kryukov and Jacques G. Amar, "Effects of cluster diffusion on the island density and size distribution in submonolayer island growth," Physical Review E 83, 041611(2011). clusterdiffusionpre.pdf

Yunsic Shim and Jacques G. Amar, "Adaptive Temperature-Accelerated Dynamics", Journal of Chemical Physics 134, 054127 (2011) Copyright (2011) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Giridhar Nandipati, Yunsic Shim and Jacques G. Amar, "First-passage time approach to kinetic Monte Carlo simulations of metal(100) growth," Physical Review B 81, 235415 (2010). fptkmcprb.pdf

Yevgen Kryukov and Jacques G. Amar, "Scaling of the island density and island-size distribution in irreversible submonolayer growth of 3D islands ," Physical Review B 81, 165435 (2010). 3Dislandgrowthprb.pdf

Yunsic Shim and Jacques G. Amar, "Complex behavior in a simple system: low temperature Ag/Ag(100) growth revisited," Physical Review B 81, 045416 (2010). AglowTprb.pdf

John Royston and Jacques G. Amar, "Island-size distribution and capture numbers in 3D nucleation: dependence on island morphology," Physical Review E 80, 041602 (2009). 3dfractalpre.pdf

Yevgen Kryukov, Nik Podraza, Robert W. Collins, and Jacques G. Amar, "Experimental and theoretical study of amorphous silicon roughness evolution grown by low-temperature PECVD," Physical Review B 80, 085403 (2009) Sisurfprb.pdf

Yunsic Shim, Mary E. Mills, Valery Borovikov, and Jacques G. Amar, "Effects of substrate rotation in oblique-incidence metal(100) epitaxial growth," Physical Review E 79, 051604 (2009) RotationPRE.pdf

G. Nandipati, Y. Shim, J.G. Amar, A. Karim, A. Kara, T. Rahman, and O. Trushin, "Parallel Kinetic Monte Carlo Simulations of Ag(111) Island Coarsening using a Large Database," Journal of Physics: Condensed Matter 21, 084214(2009). Ag111.pdf

Feng Shi, Yunsic Shim, and Jacques G. Amar, "Capture-zone areas in submonolayer nucleation: Effects of dimensionality and short-range interactions," Physical Review E 79, 011602 (2009).czdpre.pdf

Yunsic Shim, Valery Borovikov, Blas P. Uberuaga, Arthur F. Voter, and Jacques G. Amar, "Vacancy formation and strain in low-temperature Cu/Cu(100) growth, " Physical Review Letters. 101, 116101 (2008). lowtCumdpartad.pdf

Yunsic Shim, Valery Borovikov, and Jacques G. Amar, "Effects of shadowing and steering in oblique-incidence metal(100) epitaxial growth ", Physical Review B 77, 235423 (2008).obliquelongprb.pdf

Alice Noreyan and Jacques G. Amar, "Molecular dynamics simulations of nanoscratching of 3C SiC", Wear 265, 956 (2008). Noreyan_A-1.pdf

Yunsic Shim, Jacques G. Amar, Blas Uberuaga, and Art Voter, "Reaching extended length- and time-scales via parallel temperature-accelerated dynamics ", Physical Review B 76, 205439 (2007). partadprb.pdf

Valery Borovikov, Yunsic Shim, and Jacques G. Amar, "Effects of deposition angle in low-temperature metal(100) epitaxial growth ", Physical Review B (Rapid Communications) 76, 241401 (2007). lowtcuprb.pdf

Feng Shi, Yunsic Shim, and Jacques G. Amar, "Parallel Kinetic Monte Carlo Simulations of 2D Island Coarsening", Physical Review E 76, 031607 (2007). 2dislandpcoarseningpkmcpre.pdf

Yunsic Shim and Jacques G. Amar, "Effects of Shadowing in Oblique-incidence Metal(100) Epitaxial Growth", Physical Review Letters 98, 046103 (2007). oblique100prl.pdf

Jianguo Yu and Jacques G. Amar, "Effects of Short-Range Attraction in Unstable Metal (110) Epitaxial Growth", Physical Review B 74, 155403 (2006). metal110prb.pdf

Feng Shi, Yunsic Shim, and Jacques G. Amar, "Upper critical dimension for irreversible cluster nucleation and growth", Physical Review E 74, 021606 (2006). criticaldimensionpre.pdf

Jacques G. Amar, "The Monte Carlo Method in Science and Engineering", Computing in Science and Engineering 8, 9 (2006). mcmethod.pdf

Giridhar Nandipati and Jacques G. Amar, "Effects of Strain on Island Morphology and Size Distribution in Irreversible Submonolayer Growth", Physical Review B 73, 045409 (2006). strainislandprb.pdf

Yunsic Shim and Jacques G. Amar, "Recent Advances in Parallel Kinetic Monte Carlo: Synchronous Sublattice Algorithm", to appear in Computer Simulation Studies in Condensed Matter Physics XVI, D.P. Landau, S.P. Lewis, H.B. Schuttler (Eds.) Springer-Verlag (2006). subcsp.pdf

Yunsic Shim and Jacques G. Amar, "Growth instability in Cu multilayer films due to fast edge/corner diffusion", Physical Review B 73, 035423 (2006). Cu100prb.pdf

Yunsic Shim and Jacques G. Amar, "Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth", Journal of Computational Physics 212, 305 (2006). asynchjcomphys.pdf

Valery Borovikov and Jacques G. Amar, "Mound formation and slope selection in irreversible fcc(111) growth", Physical Review B 72, 085460 (2005). surfacecurrent111prb.pdf

R.T. Deck, J.G. Amar, and G. Fralick, "Nuclear Size Corrections to the Energy Levels of Single Electron and Muon Atoms", J. Phys. B: At. Mol. Opt. Phys. 38, 2173 (2005). nuclearsizecorr.pdf

Feng Shi, Yunsic Shim, and Jacques G. Amar, "Island-Size Distribution and Capture Numbers in 3D Nucleation", Physical Review B 71, 245411 (2005). 3dislandprb.pdf

Yunsic Shim and Jacques G. Amar, "Synchronous Sublattice Algorithm for Parallel Kinetic Monte Carlo ", Physical Review B 71, 125432 (2005). sublatticeprb.pdf

Yunsic Shim and Jacques G. Amar, "Synchronous Relaxation Algorithm for Parallel Kinetic Monte Carlo ", Physical Review B 71, 115436 (2005). relaxationprb.pdf

Alice Noreyan, Jacques G. Amar, and Ioan Marinescu, "Molecular Dynamics Simulations of Nanoindentation of beta-SiC with Diamond Indenter ", Materials Science & Engineering B 117, 235 (2005). noreyanmseb.pdf

Jianguo Yu, Jacques G. Amar, and Alexander Bogicevic, "First-Principles Calculations of Steering Forces in Epitaxial Growth", Physical Review B 69, 113406 (2004). dftprb.pdf

Jianguo Yu and Jacques G. Amar, "Short-Range Attraction, Surface Currents, and Mound Formation in Metal (111) Epitaxial Growth", Physical Review B 69, 045426 (2004).prb111surfcurrent.pdf

J.G. Amar and M.N. Popescu, "Asymptotic Capture-Number and Island-Size Distributions for One-Dimensional Irreversible Submonolayer Growth", Physical Review B 69, 033401 (2004). prb1danalytic.pdf

J.G. Amar, "Effects of Long-Range Attraction in Metal Epitaxial Growth", Physical Review B 67, 165425 (2003). vdwprbpz2col.pdf

J.G. Amar and D. Baxter, "Fluctuation-Induced Mound Coarsening in Two-Dimensions", Physica A 316, 19 (2002). dbfacet.pdf

J. Yu and J.G. Amar, "Effects of Short-Range Attraction in Metal Epitaxial Growth", Physical Review Letters 89, 286103 (2002). mdsrf.pdf

J. Yu and J.G. Amar, "Dynamic Scaling Behavior in Two-Dimensional Ballistic Deposition with Shadowing", Physical Review E 66, 021603 (2002). bd2dshadow.pdf

J. Yu and J.G. Amar, "Scaling Behavior of the Surface in Ballistic Deposition", Physical Review E (Rapid Communications) 65, 060601 (2002) . bd3d.pdf

J.G. Amar and J. Yu, "Effects of Steering in Metal Epitaxial Growth", Computational Nanoscience and Nanotechnology 2002, pp. 163-165 (2002) ISBN 0-9708276-6-3.

J.G. Amar, F. Family, and M.N. Popescu, "Kinetics of Submonolayer Growth", Computer Physics Communications 146, 1 (2002). paper-jamarwfigs.pdf

F. Family, M.N. Popescu, and J.G. Amar, "Self-consistent rate-equation theory of cluster-size distribution in aggregation phenomena", Physica A 306, 129 (2002).

A. Noreyan, I. Marinescu, and J.G. Amar, "Molecular Dynamics Simulation of Nanoindentation of Silicon Carbide by Diamond Tip", 2, pp. 695-698, Proceedings of the 3rd International Conference on Precision Engineering and Nanotechnology (Euspen), Eindhoven, The Netherlands (2002).

M.N. Popescu, J.G. Amar, and F. Family, "Capture-Numbers and Island-Size Distributions in Irreversible Homoepitaxial Growth", Proceedings of the NATO ARW on Atomistic Aspects of Epitaxial Growth, L.T. Wille, M. Kotrla, N. Papanicolaou, and D. Vvedensky Eds (2001). nato2001.pdf

Mechanisms of Surface and Microstructure Evolution in Deposited Films and Film Structures, J.G. Amar, G. H. Gilmer, M.V.R. Murty, and J. Sanchez Editors, Materials Research Society Proceedings, Vol. 672, Materials Research Society, Warrendale, Pennsylvania (2001).

M.N. Popescu, J.G. Amar and F. Family, "Rate-Equation Approach to Island-Size Distributions and Capture-Numbers in Submonolayer Irreversible Growth", Physical Review B 64, 205404 (2001). 2dpaper.pdf

J.G. Amar, M.N. Popescu, and F. Family, "Self-consistent Rate-Equation Approach to Irreversible Submonolayer Growth in One-Dimension", Surface Science 491, 239 (2001). 1dpaper.pdf

J.G. Amar, M.N. Popescu, and F. Family, "Rate-Equation Approach to Island-Size Distributions and Capture-Zones in Epitaxial Growth", Physical Review Letters 86, 3092 (2001). ratequprl.pdf

O. Tataru, F. Family, and J.G. Amar, "Effects of Island Geometry on Post-Deposition Island Growth", Physical Review B 62, 13129 (2000). postdep.pdf

J.G. Amar, M.N. Popescu, and F. Family, "Self-Consistent Rate-Equation Approach to Nucleation and Growth in Point/Extended Island Models of 1-D Homoepitaxy", Mat. Res. Soc. Proc. 570, 3 (1999). mmrs99spring.pdf

J.G. Amar, "Mechanisms of Mound Coarsening in Unstable Epitaxial Growth", Mat. Res. Soc. Proc. 570, 11 (1999).

J.G.Amar, Mechanisms of Mound Coarsening in Unstable Epitaxial Growth, Physical Review B 60, R11317 (1999). Coarsening.pdf

O. Tataru, J.G. Amar,, and F. Family, "Post-deposition Nucleation with Long-Range Interactions", Physica A 273, 231 (1999). Postdeplongrange.pdf

J. G. Amar, F. Family, and D.C. Hughes, "Submonolayer Epitaxial Growth with Long-Range (Levy) Diffusion", Physical Review E 58, 7130 (1998). levy.pdf

J.G. Amar and F. Family, "Mound Formation, Coarsening and Instabilities in Epitaxial Growth", Surface Review and Letters 5, 851 (1998).

M. N. Popescu, J.G. Amar, and F. Family, "Self-Consistent Rate-equation Approach to Transitions in Critical Island Size in Metal (100) and Metal (111) Homoepitaxy", Physical Review B 58, 1613 (1998). transitionsprb.pdf

S.B. Lee, J.G. Amar, and F. Family, "Thin-Film Growth of Incompatible Materials", Physica A 245, 337 (1997). incompatible.pdf

J.G. Amar and F. Family, "Transitions in Critical Size in Metal (100) and Metal (111) Homoepitaxy", Surface Science 382, 170 (1997). transitions.pdf

J.G. Amar and F. Family, "Step-Adatom Attraction as a New Mechanism for Instability in Epitaxial Growth", Physical Review Letters 77, 4584 (1996). step-adatom.attr.pdf

J.G. Amar and F. Family, "Critical Temperature for Mound Formation in Epitaxial Growth", Physical Review B 54, 14071 (1996).moundtemp.pdf

J.G. Amar and F. Family, "Effects of Crystalline Microstructure on Epitaxial Growth", Physical Review B 54, 14742 (1996). xtalprb.pdf

J.G. Amar and F. Family, "Critical Cluster Size: Island Morphology and Size Distribution in Submonolayer Growth", Physical Review Letters 74, 2066 (1995). islandprl.pdf

REU Reports

Temperature-accelerated dynamics simulations of Cu/Ni(110) growth, REU 2016, Logan Riney

Simulating Diffusion-Annihilation Reactions: Anomalous Diffusion, REU 2016 report by Sean Davis.REU2016.pdf

Submonolayer Island Nucleation and Growth for Subdiffusive Random Walkers, REU 2015 report by Mikhael Semaan.REU2015.pdf

Effects of size-dependent island-edge barriers on submonolayer nucleation, utilizing a modified Union-Find-Delete algorithm, REU 2014 report by Alexa Van Hattum.REU2014.pdf

Modeling and Simulating Gold Nanoparticle Interactions on a Liquid-Air Interface, REU 2013 report by Jennifer Jin.REU2013.pdf

Strain Analysis in Submonolayer Cu/Ni(100) - Continuum and Atomistic Perspectives, REU 2012, Adnan Choudhary

Temperature accelerated dynamics with localized saddle point and Molecular dynamics simulation of gold nanoparticle clusters, REU 2011 report by Nathan Callahan.REU2011.pdf

The Phase-field Method, REU 2008 report by Dante Amoroso.REU2008.pdf

Simulating Thin Films: The Effects of a Rotating Substrate on Surface Morphology in Oblique Incidence Epitaxial Growth, REU 2007 report by Mary Elizabeth Mills.REU2007.pdf

The Effects of Shadowing and Diffusion on Surface Morphology in Thin-Film Growth, REU 2004 report by Arow Hieronymus.reu2004.pdf

Parallel Kinetic Monte Carlo Simulations on a Shared Memory Multiprocessor Systems, REU 2003 report by Travis Smith.reu2003.pdf

Simulations of Epitaxial Growth with Shadowing in Three-Dimensions, REU 2002 report by Andrew Hill.reu02a.pdf

The Effects of Shadowing in 2D Polycrystalline Growth, REU 2002 report by Jeffrey Durst.reu02b.pdf

Fluctuation-Induced Mound Coarsening, REU 2000 report by Daniel Baxter.reu00.pdf

Scaling Behavior in a Model of Columnar Growth in Two- and Three- Dimensions, REU 1999 report by Vera Verdree: reu99p.pdf

Atomic Force Microscopy Analysis of Microstructure Evolution and Morphology of Magnetron-Sputtered CdS Thin Films, REU 1998 report by Ryan Snyder: reu98.pdf