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).

By: O. Rettenmaier, J. Gabriel & S. Patala*

author keywords: shape memory ceramics; zirconia; neural network potentials; machine learning; atomistic simulations; phase transformations
topics (OpenAlex): Machine Learning in Materials Science; X-ray Diffraction in Crystallography; Nuclear Materials and Properties
Source: Web Of Science
Added: November 18, 2024

2022 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.

By: C. Fancher*, M. Burch n, S. Patala n & E. Dickey*

Contributors: C. Fancher*, M. Burch n, S. Patala n & E. Dickey*

author keywords: EBSD; gnomonic distortions; TKD
topics (OpenAlex): Surface Roughness and Optical Measurements; Non-Destructive Testing Techniques; Ultrasonics and Acoustic Wave Propagation
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.

By: S. Kadambi n, F. Abdeljawad* & S. Patala n

author keywords: Solute segregation; Interphase boundary; Phase-field model; Gibbs adsorption
topics (OpenAlex): Solidification and crystal growth phenomena; Aluminum Alloy Microstructure Properties; High Temperature Alloys and Creep
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
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
topics (OpenAlex): Microstructure and mechanical properties; Metal and Thin Film Mechanics; Aluminum Alloys Composites Properties
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.

By: S. Kadambi n, F. Abdeljawad* & S. Patala n

author keywords: Solute segregation; Interphase boundary; Phase-field model; Gibbs adsorption; Coarsening resistance
topics (OpenAlex): Aluminum Alloy Microstructure Properties; Magnesium Alloys: Properties and Applications; Aluminum Alloys Composites Properties
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
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.

topics (OpenAlex): Quantum Computing Algorithms and Architecture; Quantum and electron transport phenomena; Quantum-Dot Cellular Automata
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
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.

topics (OpenAlex): Advanced Memory and Neural Computing
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
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.

By: S. Thomas n & S. Patala n

author keywords: Mutli-principal element alloys; High-Entropy alloys; Diffusion; Random walk; Correlation; Disordered materials
topics (OpenAlex): High Entropy Alloys Studies; High-Temperature Coating Behaviors; High Temperature Alloys and Creep
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
topics (OpenAlex): Metallic Glasses and Amorphous Alloys; Phase-change materials and chalcogenides; Material Dynamics and Properties
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.

By: S. Patala n

author keywords: Grain boundaries; Crystallography; Machine learning; Atomic structure; Disconnections
topics (OpenAlex): Hydrogen embrittlement and corrosion behaviors in metals; Machine Learning in Materials Science; Corrosion Behavior and Inhibition
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.

By: A. Banadaki n, M. Tschopp* & S. Patala n

author keywords: Interfaces; Monte Carlo; Grain boundary structure; Crystallography
topics (OpenAlex): Microstructure and mechanical properties; Metal and Thin Film Mechanics; Advanced Materials Characterization Techniques
UN Sustainable Development Goals Color Wheel
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).

By: A. Banadaki n & S. Patala n

topics (OpenAlex): Microstructure and mechanical properties; Microstructure and Mechanical Properties of Steels; Corrosion Behavior and Inhibition
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.

By: S. Patala n

author keywords: bicrystallography; coincidence site lattice; interfaces
topics (OpenAlex): X-ray Diffraction in Crystallography; Enzyme Structure and Function; High-pressure geophysics and materials
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

Mapping 180° polar domains using electron backscatter diffraction and dynamical scattering simulations

Ultramicroscopy, 173, 47–51.

By: M. Burch n, C. Fancher n, S. Patala n, M. De Graef* & E. Dickey n

Contributors: M. Burch n, C. Fancher n, S. Patala n, M. Graef* & E. Dickey n

author keywords: EBSD; Ferroelectric; Ferroelectric domain; Electron backscatter diffraction
topics (OpenAlex): Ferroelectric and Piezoelectric Materials; Acoustic Wave Resonator Technologies; Photorefractive and Nonlinear Optics
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 Goals Color Wheel
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries, Crossref, ORCID
Added: August 6, 2018

2017 journal article

Thermodynamic stabilization of precipitates through interface segregation: Chemical effects

PHYSICAL REVIEW MATERIALS, 1(4).

By: S. Kadambi n & S. Patala n

topics (OpenAlex): Aluminum Alloy Microstructure Properties; Microstructure and mechanical properties; Magnesium Alloys: Properties and Applications
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
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).

topics (OpenAlex): Microstructure and mechanical properties; Hydrogen embrittlement and corrosion behaviors in metals; Microstructure and Mechanical Properties of Steels
Sources: Crossref, NC State University Libraries
Added: January 31, 2020

2016 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.

By: A. Banadaki n & S. Patala n

author keywords: Grain boundaries; Surfaces; Energy; Bicrystallography; Cleavage energy; Grain boundary faceting; Atomistic simulations
topics (OpenAlex): Microstructure and mechanical properties; Magnesium Alloys: Properties and Applications; Aluminum Alloy Microstructure Properties
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2016 journal article

Imaging 180° Polarization Reversal in Ferroelectric Oxides with Electron Backscatter Diffraction

Microscopy and Microanalysis, 22(S3), 1822–1823.

By: M. Burch n, C. Fancher n, S. Patala n & E. Dickey n

Contributors: M. Burch n, C. Fancher n, S. Patala n & E. Dickey n

topics (OpenAlex): Acoustic Wave Resonator Technologies; X-ray Diffraction in Crystallography; Geological Studies and Exploration
Sources: Crossref, NC State University Libraries, ORCID
Added: December 5, 2019

2015 journal article

An efficient algorithm for computing the primitive bases of a general lattice plane

J Appl Cryst, 48(2), 585–588.

By: A. Banadaki n & S. Patala n

topics (OpenAlex): Electronic and Structural Properties of Oxides; Surface and Thin Film Phenomena; ZnO doping and properties
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.

By: E. Homer*, S. Patala n & J. Priedeman*

topics (OpenAlex): Microstructure and mechanical properties; Microstructure and Mechanical Properties of Steels; Force Microscopy Techniques and Applications
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.

By: S. Patala*, L. Marks* & M. Cruz*

Contributors: L. Marks*, S. Patala* & M. Cruz*

topics (OpenAlex): Mechanical and Optical Resonators; Force Microscopy Techniques and Applications; Carbon Nanotubes in Composites
UN Sustainable Development Goals Color Wheel
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.

By: S. Patala* & C. Schuh*

Contributors: S. Patala* & C. Schuh*

topics (OpenAlex): Machine Learning in Materials Science; Microstructure and mechanical properties; Advanced Electron Microscopy Techniques and Applications
Source: ORCID
Added: January 15, 2020

2013 journal article

Symmetries in the representation of grain boundary-plane distributions

Philosophical Magazine, 93(5), 524–573.

By: S. Patala* & C. Schuh*

Contributors: S. Patala* & C. Schuh*

author keywords: crystal symmetry; gain boundary; crystallography
topics (OpenAlex): Microstructure and mechanical properties; Microstructure and Mechanical Properties of Steels; Corrosion Behavior and Inhibition
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.

By: S. Patala*, L. Marks* & M. Cruz*

topics (OpenAlex): nanoparticles nucleation surface interactions; Chemical and Physical Properties of Materials; Copper-based nanomaterials and applications
UN Sustainable Development Goals Color Wheel
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.

By: S. Patala*, J. Mason* & C. Schuh*

Contributors: J. Mason*, S. Patala* & C. Schuh*

topics (OpenAlex): Microstructure and mechanical properties; Microstructure and Mechanical Properties of Steels; Hydrogen embrittlement and corrosion behaviors in metals
Source: ORCID
Added: January 15, 2020

2011 journal article

A continuous and one-to-one coloring scheme for misorientations

Acta Materialia, 59(2), 554–562.

By: S. Patala* & C. Schuh*

Contributors: S. Patala* & C. Schuh*

author keywords: Misorientation; Topology; Misorientation mapping; EBSD; Coloring scheme
topics (OpenAlex): Microstructure and mechanical properties; High-pressure geophysics and materials; Force Microscopy Techniques and Applications
Source: ORCID
Added: January 15, 2020

2011 journal article

The topology of homophase misorientation spaces

Philosophical Magazine, 91(10), 1489–1508.

By: S. Patala* & C. Schuh*

Contributors: S. Patala* & C. Schuh*

author keywords: crystallography; crystal topology; crystal symmetry; crystalline interface; grain boundary
topics (OpenAlex): Geometric and Algebraic Topology; Homotopy and Cohomology in Algebraic Topology; Supramolecular Chemistry and Complexes
Source: ORCID
Added: January 15, 2020

2010 journal article

Topology of Homophase Grain Boundaries in Two-Dimensional Crystals: The Role of Grain Exchange Symmetry

Cmc-Computers Materials & Continua, 17(1), 1–17.

By: S. Patala & C. Schuh

Contributors: S. Patala & C. Schuh

Source: ORCID
Added: January 15, 2020

Employment

Updated: January 23rd, 2025 15:16

2024 - present

Northwestern University Evanston, US
Research Professor Materials Science and Engineering

2022 - present

SAS Institute (United States) Cary, US
Senior Machine Learning Developer Applied Analytical Solutions

2013 - 2020

NC State University Raleigh, NC, US
Assistant Professor Materials Science and Engineering

2011 - 2013

Northwestern University Evanston, US
Postdoctoral Researcher Materials Science and Engineering

Education

Updated: January 23rd, 2025 15:18

2008 - 2011

Massachusetts Institute of Technology Cambridge, MA, US
ScD Materials Science and Engineering

2005 - 2008

Massachusetts Institute of Technology Cambridge, US
MSc 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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