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Title: Surface Engineering by Simultaneous Action of Multiple External Fields: Final Technical Report

Abstract

This research project aims at enabling surface engineering strategies based on the fundamental understanding and predictive modeling of the surface morphological response of solid materials subjected to the combined action of multiple external forces. Surface morphological response to mismatch strain in strained-layer heterostructures also is analyzed. Our research focuses on the surface morphological evolution and stability of electrically conducting (metallic, such as Cu) and semiconducting (such as Si) solids under the simultaneous application of mechanical stresses, electric fields, and temperature gradients. We emphasize on identifying the conditions under which the multiply driven surface morphology is stable and on exploring the complexity of the corresponding various morphologically stable surface patterns. We also emphasize on the driven evolution of nanoscale features aiming at stabilizing and controlling nanoscale patterns on surfaces by their manipulation through simultaneously applied multiple external forces. Specifically, we address systematically the morphological response to the combined action of multiple external forces of bulk solid surfaces, surfaces of thin films grown epitaxially on thick or thin substrates, as well as nanoscale surface features such as coherently strained islands grown epitaxially on substrate surfaces. The research is based on a modeling approach that combines theoretical analyses of surface morphological stability withmore » self-consistent dynamical simulations of surface evolution based on properly parameterized continuum and multiscale surface transport models. In terms of specific materials studied, this project has focused primarily on metals such as Cu and other face-centered cubic (fcc) metals, including Ag, Al, and Ni, and semiconductors such as Si-based systems (bulk solids or substrates on which films or small islands can be grown epitaxially) and Ge/Si or InAs/GaAs film/substrate heteroepitaxial systems. In terms of studying surface morphological response, the scope of the program is broad and includes the following research tasks: • Continuum-scale analysis of multiply driven morphological evolution and stability of (a) surfaces of stressed elastic solids; (b) surfaces of coherently strained thin films grown epitaxially on solid substrates; and (c) homoepitaxial and coherently strained heteroepitaxial islands on solid substrate surfaces. • Atomic-scale analysis of surface/edge morphological evolution, focusing on both diffusional transport and the role of strain relaxation mechanisms, such as plastic deformation dynamics, in (a) solids stressed beyond the linear elastic regime and up to their limit of strength; (b) heteroepitaxial films/islands with thicknesses/sizes below and above the critical ones for misfit dislocation generation; and (c) graphene-based low-dimensional (2D) materials such as graphene nanoribbons and defect-engineered graphene sheets. • Systematic studies of the effects of multiple forcing conditions (varied over a broad range of material and operating parameters) on surface morphological response. • Development of viable physical processing methods for the treatment of surfaces (e.g., surface roughness reduction) and for surface nanopatterning toward enabling novel nanofabrication technologies.« less

Authors:
ORCiD logo [1]
  1. University of Massachusetts Amherst
Publication Date:
Research Org.:
University of Massachusetts Amherst
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1577259
Report Number(s):
DOE-UMASS-46407
DOE Contract Number:  
FG02-07ER46407
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 42 ENGINEERING; 77 NANOSCIENCE AND NANOTECHNOLOGY; 97 MATHEMATICS AND COMPUTING; Physical Behavior of Materials; Surface Engineering; Surface Morphological Stability and Evolution; Materials Response to External Fields; Driven Surface Nano-patterning; Nonlinear Dynamics and Pattern Formation; Multiscale Modeling and Simulation

Citation Formats

Maroudas, Dimitrios. Surface Engineering by Simultaneous Action of Multiple External Fields: Final Technical Report. United States: N. p., 2019. Web. doi:10.2172/1577259.
Maroudas, Dimitrios. Surface Engineering by Simultaneous Action of Multiple External Fields: Final Technical Report. United States. doi:10.2172/1577259.
Maroudas, Dimitrios. Fri . "Surface Engineering by Simultaneous Action of Multiple External Fields: Final Technical Report". United States. doi:10.2172/1577259. https://www.osti.gov/servlets/purl/1577259.
@article{osti_1577259,
title = {Surface Engineering by Simultaneous Action of Multiple External Fields: Final Technical Report},
author = {Maroudas, Dimitrios},
abstractNote = {This research project aims at enabling surface engineering strategies based on the fundamental understanding and predictive modeling of the surface morphological response of solid materials subjected to the combined action of multiple external forces. Surface morphological response to mismatch strain in strained-layer heterostructures also is analyzed. Our research focuses on the surface morphological evolution and stability of electrically conducting (metallic, such as Cu) and semiconducting (such as Si) solids under the simultaneous application of mechanical stresses, electric fields, and temperature gradients. We emphasize on identifying the conditions under which the multiply driven surface morphology is stable and on exploring the complexity of the corresponding various morphologically stable surface patterns. We also emphasize on the driven evolution of nanoscale features aiming at stabilizing and controlling nanoscale patterns on surfaces by their manipulation through simultaneously applied multiple external forces. Specifically, we address systematically the morphological response to the combined action of multiple external forces of bulk solid surfaces, surfaces of thin films grown epitaxially on thick or thin substrates, as well as nanoscale surface features such as coherently strained islands grown epitaxially on substrate surfaces. The research is based on a modeling approach that combines theoretical analyses of surface morphological stability with self-consistent dynamical simulations of surface evolution based on properly parameterized continuum and multiscale surface transport models. In terms of specific materials studied, this project has focused primarily on metals such as Cu and other face-centered cubic (fcc) metals, including Ag, Al, and Ni, and semiconductors such as Si-based systems (bulk solids or substrates on which films or small islands can be grown epitaxially) and Ge/Si or InAs/GaAs film/substrate heteroepitaxial systems. In terms of studying surface morphological response, the scope of the program is broad and includes the following research tasks: • Continuum-scale analysis of multiply driven morphological evolution and stability of (a) surfaces of stressed elastic solids; (b) surfaces of coherently strained thin films grown epitaxially on solid substrates; and (c) homoepitaxial and coherently strained heteroepitaxial islands on solid substrate surfaces. • Atomic-scale analysis of surface/edge morphological evolution, focusing on both diffusional transport and the role of strain relaxation mechanisms, such as plastic deformation dynamics, in (a) solids stressed beyond the linear elastic regime and up to their limit of strength; (b) heteroepitaxial films/islands with thicknesses/sizes below and above the critical ones for misfit dislocation generation; and (c) graphene-based low-dimensional (2D) materials such as graphene nanoribbons and defect-engineered graphene sheets. • Systematic studies of the effects of multiple forcing conditions (varied over a broad range of material and operating parameters) on surface morphological response. • Development of viable physical processing methods for the treatment of surfaces (e.g., surface roughness reduction) and for surface nanopatterning toward enabling novel nanofabrication technologies.},
doi = {10.2172/1577259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {12}
}

Works referenced in this record:

Surface morphological response of crystalline solids to mechanical stresses and electric fields
journal, August 2011


Analysis of current-driven oscillatory dynamics of single-layer homoepitaxial islands on crystalline conducting substrates
journal, March 2018


The effect of a compliant substrate on the electromigration-driven surface morphological stabilization of an epitaxial thin film
journal, January 2012

  • Sfyris, Georgios I.; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 111, Issue 2
  • DOI: 10.1063/1.3676436

Phase behavior of the 38-atom Lennard-Jones cluster
journal, March 2014

  • Sehgal, Ray M.; Maroudas, Dimitrios; Ford, David M.
  • The Journal of Chemical Physics, Vol. 140, Issue 10
  • DOI: 10.1063/1.4866810

Surface morphological stabilization of stressed crystalline solids by simultaneous action of applied electric and thermal fields
journal, April 2012

  • Dasgupta, Dwaipayan; Sfyris, Georgios I.; Rauf Gungor, M.
  • Applied Physics Letters, Vol. 100, Issue 14
  • DOI: 10.1063/1.3698360

Theoretical analysis of texture effects on the surface morphological stability of metallic thin films
journal, May 2008

  • Tomar, Vivek; Gungor, M. Rauf; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 92, Issue 18
  • DOI: 10.1063/1.2912037

Tuning the band structure of graphene nanoribbons through defect-interaction-driven edge patterning
journal, December 2017


Fabrication of Ordered Arrays of Quantum Dot Molecules Based on the Design of Pyramidal Pit Patterns on Semiconductor Surfaces
journal, November 2019

  • Kumar, Ashish; Chen, Chao-Shou; Maroudas, Dimitrios
  • Industrial & Engineering Chemistry Research
  • DOI: 10.1021/acs.iecr.9b04463

Molecular-dynamics simulations of stacking-fault-induced dislocation annihilation in prestrained ultrathin single-crystalline copper films
journal, May 2009

  • Kolluri, Kedarnath; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 105, Issue 9
  • DOI: 10.1063/1.3120916

Effects of surface diffusional anisotropy on the current-driven surface morphological response of stressed solids
journal, May 2010

  • Tomar, Vivek; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 107, Issue 9
  • DOI: 10.1063/1.3393965

Controlling assembly of colloidal particles into structured objects: Basic strategy and a case study
journal, March 2015


On the formation of multiple quantum dots inside elongated pits on semiconductor films deposited epitaxially on pit-patterned substrates
journal, June 2019

  • Chen, Chao-Shou; Kumar, Ashish; Maroudas, Dimitrios
  • Materials Research Express, Vol. 6, Issue 8
  • DOI: 10.1088/2053-1591/ab268d

Atomic-scale analysis of defect dynamics and strain relaxation mechanisms in biaxially strained ultrathin films of face-centered cubic metals
journal, June 2008

  • Kolluri, Kedarnath; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 103, Issue 12
  • DOI: 10.1063/1.2938022

Effects of the Attractive Potential Range on the Phase Behavior of Small Clusters of Colloidal Particles
journal, May 2014

  • Sehgal, Ray M.; Maroudas, Dimitrios; Ford, David M.
  • Journal of Chemical & Engineering Data, Vol. 59, Issue 10
  • DOI: 10.1021/je500178w

Design of semiconductor surface pits for fabrication of regular arrays of quantum dots and nanorings
journal, January 2019

  • Kumar, Ashish; Chen, Chao-Shou; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 125, Issue 4
  • DOI: 10.1063/1.5064807

Electromigration-driven complex dynamics of void surfaces in stressed metallic thin films under a general biaxial mechanical loading
journal, October 2012

  • Dasgupta, Dwaipayan; Sfyris, Georgios I.; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 112, Issue 8
  • DOI: 10.1063/1.4759451

Atomistic analysis of strain relaxation in [11¯0]-oriented biaxially strained ultrathin copper films
journal, November 2009

  • Kolluri, Kedarnath; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 106, Issue 10
  • DOI: 10.1063/1.3240326

Analysis of current-driven motion of morphologically stable voids in metallic thin films: Steady and time-periodic states
journal, September 2010

  • Cho, Jaeseol; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 108, Issue 5
  • DOI: 10.1063/1.3476263

Analysis of current-driven surface morphological stabilization of a coherently strained epitaxial thin film on a finite-thickness deformable substrate
journal, November 2010

  • Sfyris, Georgios I.; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 108, Issue 9
  • DOI: 10.1063/1.3494095

Fokker–Planck analysis of separation dependent potentials and diffusion coefficients in simulated microscopy experiments
journal, January 2010

  • Beltran-Villegas, Daniel J.; Sehgal, Ray M.; Maroudas, Dimitrios
  • The Journal of Chemical Physics, Vol. 132, Issue 4
  • DOI: 10.1063/1.3299731

Stabilization of the surface morphology of stressed solids using simultaneously applied electric fields and thermal gradients
journal, November 2014

  • Du, Lin; Dasgupta, Dwaipayan; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 116, Issue 17
  • DOI: 10.1063/1.4899248

Current-Induced Stabilization of Surface Morphology in Stressed Solids
journal, January 2008


Molecular dynamics simulations of martensitic fcc-to-hcp phase transformations in strained ultrathin metallic films
journal, November 2008


Optimization of electrical treatment strategy for surface roughness reduction in conducting thin films
journal, September 2018

  • Du, Lin; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 124, Issue 12
  • DOI: 10.1063/1.5047405

Current-driven morphological evolution of single-layer epitaxial islands on crystalline substrates
journal, December 2013


Modeling of quantum dot and nanoring pattern formation on pit-patterned semiconductor substrates
journal, July 2018


Effect of applied stress tensor anisotropy on the electromechanically driven complex dynamics of void surfaces in metallic thin films
journal, September 2011

  • Sfyris, Georgios I.; Rauf Gungor, M.; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 110, Issue 6
  • DOI: 10.1063/1.3638070

The effect of a thermal gradient on the electromigration-driven surface morphological stabilization of an epitaxial thin film on a compliant substrate
journal, July 2013

  • Sfyris, Georgios I.; Dasgupta, Dwaipayan; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 114, Issue 2
  • DOI: 10.1063/1.4812289

Complex Pattern Formation from Current-Driven Dynamics of Single-Layer Homoepitaxial Islands on Crystalline Conducting Substrates
journal, July 2017


Electromigration-driven surface morphological stabilization of a coherently strained epitaxial thin film on a substrate
journal, June 2010

  • Sfyris, Georgios I.; Gungor, M. Rauf; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 96, Issue 23
  • DOI: 10.1063/1.3447371

Weakly nonlinear theory of secondary rippling instability in surfaces of stressed solids
journal, July 2015

  • Du, Lin; Dasgupta, Dwaipayan; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 118, Issue 3
  • DOI: 10.1063/1.4926739

Current-induced surface roughness reduction in conducting thin films
journal, March 2017

  • Du, Lin; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 110, Issue 10
  • DOI: 10.1063/1.4977024

Analysis of electromechanically induced long-wavelength rippling instability on surfaces of crystalline conductors
journal, March 2011

  • Tomar, Vivek; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 109, Issue 5
  • DOI: 10.1063/1.3551580

Comparative study of the mechanical behavior under biaxial strain of prestrained face-centered cubic metallic ultrathin films
journal, March 2009

  • Kolluri, Kedarnath; Gungor, M. Rauf; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 94, Issue 10
  • DOI: 10.1063/1.3093676

Electromechanically driven chaotic dynamics of voids in metallic thin films
journal, February 2010


Equilibrium Shape of Colloidal Crystals
journal, July 2015


Surface nanopattern formation due to current-induced homoepitaxial nanowire edge instability
journal, September 2016

  • Kumar, Ashish; Dasgupta, Dwaipayan; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 109, Issue 11
  • DOI: 10.1063/1.4962730

Rippling instability on surfaces of stressed crystalline conductors
journal, May 2009

  • Tomar, Vivek; Gungor, M. Rauf; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 94, Issue 18
  • DOI: 10.1063/1.3130742

Onset of the crystalline phase in small assemblies of colloidal particles
journal, May 2013

  • Sehgal, Ray M.; Cogan, Joshua G.; Ford, David M.
  • Applied Physics Letters, Vol. 102, Issue 20
  • DOI: 10.1063/1.4807676

Surface nanopatterning from current-driven assembly of single-layer epitaxial islands
journal, October 2013

  • Dasgupta, Dwaipayan; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 103, Issue 18
  • DOI: 10.1063/1.4827304

Stabilization of the surface morphology of stressed solids using thermal gradients
journal, May 2014

  • Du, Lin; Dasgupta, Dwaipayan; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 104, Issue 18
  • DOI: 10.1063/1.4874879

Current-induced stabilization of surface morphology in stressed solids: Validation of linear stability theory
journal, May 2010

  • Tomar, Vivek; Gungor, M. Rauf; Maroudas, Dimitrios
  • Journal of Applied Physics, Vol. 107, Issue 10
  • DOI: 10.1063/1.3391819

A Smoluchowski model of crystallization dynamics of small colloidal clusters
journal, October 2011

  • Beltran-Villegas, Daniel J.; Sehgal, Ray M.; Maroudas, Dimitrios
  • The Journal of Chemical Physics, Vol. 135, Issue 15
  • DOI: 10.1063/1.3652967

Kinetics of nanoring formation on surfaces of stressed thin films
journal, August 2018


Current-driven nanowire formation on surfaces of crystalline conducting substrates
journal, May 2016

  • Kumar, Ashish; Dasgupta, Dwaipayan; Dimitrakopoulos, Christos
  • Applied Physics Letters, Vol. 108, Issue 19
  • DOI: 10.1063/1.4949333

Theory of multiple quantum dot formation in strained-layer heteroepitaxy
journal, July 2016

  • Du, Lin; Maroudas, Dimitrios
  • Applied Physics Letters, Vol. 109, Issue 2
  • DOI: 10.1063/1.4955409