My interests include structural characterization and quantification of structure-property relationships across multiple length scales; statistical analysis of defects and their interactions in polycrystalline materials; and in developing inverse design principles for optimizing performance in structural and functional materials.
Works (28)
Updated: November 25th, 2024 07:12
2024 journal article
Modeling martensitic transformation temperatures in Zirconia-Ceria solid solutions using machine learning interatomic potentials
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 32(8).
author keywords: shape memory ceramics; zirconia; neural network potentials; machine learning; atomistic simulations; phase transformations
open access via doi.org (publisher)
Source: Web Of Science
Added: November 18, 2024
2021 article
Implications of gnomonic distortion on electron backscatter diffraction and transmission Kikuchi diffraction
Fancher, C. M., Burch, M. J., Patala, S., & Dickey, E. C. (2022, January 4). JOURNAL OF MICROSCOPY, Vol. 1.
Contributors: C. Fancher*, M. Burch n, n & E. Dickey*
author keywords: EBSD; gnomonic distortions; TKD
TL;DR:
Results indicate that the increased gnomonic distortions in electron diffraction patterns for a TKD geometry enhance the sensitivity for detecting subtle differences in interband angles and the utilization of a Hough transform based indexing approach further enhances the sensitivity.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: January 10, 2022
2020 journal article
A phase-field approach for modeling equilibrium solute segregation at the interphase boundary in binary alloys
Computational Materials Science, 175, 109533.
author keywords: Solute segregation; Interphase boundary; Phase-field model; Gibbs adsorption
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
12. Responsible Consumption and Production
(Web of Science)
Source: ORCID
Added: March 7, 2020
2020 journal article
Application of Monte Carlo techniques to grain boundary structure optimization in silicon and silicon-carbide
Computational Materials Science, 182, 109771.
author keywords: Grain boundaries; Molecular dynamics; Silicon; Silicon carbide; Monte Carlo
Source: ORCID
Added: May 11, 2020
2020 journal article
Interphase boundary segregation and precipitate coarsening resistance in ternary alloys: An analytic phase-field model describing chemical effects
Acta Materialia, 197, 283–299.
author keywords: Solute segregation; Interphase boundary; Phase-field model; Gibbs adsorption; Coarsening resistance
UN Sustainable Development Goal Categories
12. Responsible Consumption and Production
(Web of Science)
Source: ORCID
Added: July 4, 2020
2020 article
Quantum Materials for Energy-Efficient Computing
Chowdhury, S., Zhuang, H., Coleman, S., Patala, S., & Bair, J. (2020, September). JOM, Vol. 72, pp. 3147–3148.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
11. Sustainable Cities and Communities
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 31, 2020
2020 article
Quantum Materials for Energy-Efficient Computing (vol 72, pg 3147, 2020)
Chowdhury, S., Zhuang, H., Coleman, S., Patala, S., & Bair, J. (2020, December). JOM, Vol. 72, pp. 4721–4721.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
11. Sustainable Cities and Communities
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: November 2, 2020
2020 journal article
Vacancy diffusion in multi-principal element alloys: The role of chemical disorder in the ordered lattice
Acta Materialia, 196, 144–153.
author keywords: Mutli-principal element alloys; High-Entropy alloys; Diffusion; Random walk; Correlation; Disordered materials
Source: ORCID
Added: June 24, 2020
2019 journal article
Short-range order structure motifs learned from an atomistic model of a Zr50Cu45Al5 metallic glass
ACTA MATERIALIA, 175, 35–45.
author keywords: Simulation; Machine learning; Metallic glass; Structure; Short-range order; Motif
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 26, 2019
2019 journal article
Understanding grain boundaries - The role of crystallography, structural descriptors and machine learning
COMPUTATIONAL MATERIALS SCIENCE, 162, 281–294.
author keywords: Grain boundaries; Crystallography; Machine learning; Atomic structure; Disconnections
TL;DR:
The goal of this review article is to motivate machine learning strategies that are informed by bicrystallography and novel structural descriptors for developing reliable crystallography-structure-property relationships for grain boundaries.
(via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 29, 2019
2018 journal article
An efficient Monte Carlo algorithm for determining the minimum energy structures of metallic grain boundaries
COMPUTATIONAL MATERIALS SCIENCE, 155, 466–475.
author keywords: Interfaces; Monte Carlo; Grain boundary structure; Crystallography
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: November 12, 2018
2017 journal article
A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
NPJ COMPUTATIONAL MATERIALS, 3(1).
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2017 article
Approximating coincidence - turning a new page for bicrystallography
Patala, S. (2017, March). ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, Vol. 73, pp. 85–86.
author keywords: bicrystallography; coincidence site lattice; interfaces
TL;DR:
Runnels presents a physically intuitive and mathematically elegant framework to overcome the challenges of the discrete nature of the CSL theory (Runnels, 2017) that can be computed by determining the extent of overlap between the atomic density fields of the two overlapping lattices.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2017 journal article
Thermodynamic stabilization of precipitates through interface segregation: Chemical effects
PHYSICAL REVIEW MATERIALS, 1(4).
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
12. Responsible Consumption and Production
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2016 journal article
A high-throughput technique for determining grain boundary character non-destructively in microstructures with through-thickness grains
Npj Computational Materials, 2(1).
Sources: Crossref, NC State University Libraries
Added: January 31, 2020
2016 journal article
Imaging 180° Polarization Reversal in Ferroelectric Oxides with Electron Backscatter Diffraction
Microscopy and Microanalysis, 22(S3), 1822–1823.
Contributors: M. Burch n, C. Fancher n, n & E. Dickey n
Sources: Crossref, NC State University Libraries, ORCID
Added: December 5, 2019
2016 journal article
Mapping 180° polar domains using electron backscatter diffraction and dynamical scattering simulations
Ultramicroscopy, 173, 47–51.
Contributors: M. Burch n, C. Fancher n, n , M. Graef* & E. Dickey n
author keywords: EBSD; Ferroelectric; Ferroelectric domain; Electron backscatter diffraction
TL;DR:
A novel technique, which directly and nondestructively maps polar domains using electron backscatter diffraction (EBSD) is described and demonstrated, and the possibility of mapping polarity using this technique in other polar materials system is demonstrated.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, NC State University Libraries, Crossref, ORCID
Added: August 6, 2018
2015 journal article
A simple faceting model for the interfacial and cleavage energies of Sigma 3 grain boundaries in the complete boundary plane orientation space
COMPUTATIONAL MATERIALS SCIENCE, 112, 147–160.
author keywords: Grain boundaries; Surfaces; Energy; Bicrystallography; Cleavage energy; Grain boundary faceting; Atomistic simulations
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2015 journal article
An efficient algorithm for computing the primitive bases of a general lattice plane
J Appl Cryst, 48(2), 585–588.
TL;DR:
An algorithm for computing the basis vectors for a plane with Miller indices (hkl) in an arbitrary lattice system is presented and is expected to become a routine tool for both computational and experimental analysis of interface structures.
(via Semantic Scholar)
Sources: NC State University Libraries, ORCID, NC State University Libraries
Added: August 6, 2018
2015 journal article
Grain Boundary Plane Orientation Fundamental Zones and Structure-Property Relationships
SCIENTIFIC REPORTS, 5.
TL;DR:
This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships and has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2013 journal article
Elastic Strain Energy Effects in Faceted Decahedral Nanoparticles
Journal of Physical Chemistry C, 117(3), 1485–1494.
Contributors: L. Marks *, * & M. Cruz *
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: January 15, 2020
2013 journal article
Representation of single-axis grain boundary functions
Acta Materialia, 61(8), 3068–3081.
Contributors: * & C. Schuh *
Source: ORCID
Added: January 15, 2020
2013 journal article
Thermodynamic Analysis of Multiply Twinned Particles: Surface Stress Effects
J. Phys. Chem. Lett., 4(18), 3089–3094.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: January 15, 2020
2012 journal article
Improved representations of misorientation information for grain boundary science and engineering
Progress in Materials Science, 57(8), 1383–1425.
Contributors: J. Mason, * & C. Schuh *
Source: ORCID
Added: January 15, 2020
2012 journal article
Symmetries in the representation of grain boundary-plane distributions
Philosophical Magazine, 93(5), 524–573.
Contributors: * & C. Schuh *
author keywords: crystal symmetry; gain boundary; crystallography
Source: ORCID
Added: January 15, 2020
2011 journal article
The topology of homophase misorientation spaces
Philosophical Magazine, 91(10), 1489–1508.
Contributors: * & C. Schuh *
author keywords: crystallography; crystal topology; crystal symmetry; crystalline interface; grain boundary
Source: ORCID
Added: January 15, 2020
2010 journal article
A continuous and one-to-one coloring scheme for misorientations
Acta Materialia, 59(2), 554–562.
Contributors: * & C. Schuh *
author keywords: Misorientation; Topology; Misorientation mapping; EBSD; Coloring scheme
Source: ORCID
Added: January 15, 2020
Employment
Updated: October 1st, 2024 10:20
2024 - present
Northwestern University Evanston, US
Research Professor
Materials Science and Engineering
2013 - 2020
NC State University Raleigh, NC, US
Assistant Professor
Materials Science and Engineering
Education
Updated: August 9th, 2015 15:23
2005 - 2011
Massachusetts Institute of Technology Cambridge, MA, US
PhD
Materials Science and Engineering
2001 - 2005
Indian Institute of Technology Madras Chennai, Tamil Nadu, IN
Bachelor of Technology
Materials and Metallurgical Engineering
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