Works (87)

Updated: April 5th, 2024 04:37

2022 journal article

Defect Chemistry of Halogen Dopants in ZnSe

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 13(35), 8380–8385.

By: Y. Wu n, K. Mirrielees n & D. Irving n

Source: Web Of Science
Added: November 7, 2022

2022 article

Inverse Materials Design of Doping Strategies with AI, Thermodynamics, and Density Functional Theory

Baker, J. N., & Irving, D. L. (2022, January 7). JOM.

By: J. Baker* & D. Irving n

TL;DR: This work presents a novel approach for inverse materials design as it relates to point defect engineering: a particle swarm optimizer to aid in the design of doping profiles, particularly when working with multiple dopants and compound or wide band gap materials. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: January 18, 2022

2022 journal article

On native point defects in ZnSe

APPLIED PHYSICS LETTERS, 120(23).

By: Y. Wu n, K. Mirrielees n & D. Irving n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: June 20, 2022

2022 article

Oxygen Vacancy-Induced Anomalous Hall Effect in a Nominally Non-magnetic Oxide

Al-Tawhid, A. H., Kanter, J., Hatefipour, M., Irving, D. L., Kumah, D. P., Shabani, J., & Ahadi, K. (2022, September 24). JOURNAL OF ELECTRONIC MATERIALS, Vol. 9.

By: A. Al-Tawhid n, J. Kanter*, M. Hatefipour*, D. Irving n, D. Kumah n, J. Shabani*, K. Ahadi n

author keywords: Anomalous Hall effect; KTaO3; Spin-orbit coupling
Sources: Web Of Science, ORCID, NC State University Libraries
Added: September 25, 2022

2021 journal article

Computational approaches to point defect simulations for semiconductor solid solution alloys

JOURNAL OF CHEMICAL PHYSICS, 154(9).

By: K. Mirrielees n, J. Baker n, P. Bowes n & D. Irving n

TL;DR: The approach presented here is expected to be generally appropriate for first approximation of defect properties in semiconductors and dielectrics where the alloy is a random solid solution of the end members. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: March 2, 2021

2021 article

Fermi level pinning in Co-doped BaTiO3: Part I. DC and AC electrical conductivities and degradation behavior

Ryu, G. H., Bowes, P. C., McGarrahan, J. R., Irving, D. L., & Dickey, E. C. (2021, July 28). JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Vol. 105.

By: G. Ryu n, P. Bowes n, J. McGarrahan n, D. Irving n & E. Dickey n

Contributors: G. Ryu n, P. Bowes n, J. McGarrahan n, D. Irving n & E. Dickey n

author keywords: barium titanate; defects; degradation; dielectrics; electrical conductivity
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: July 19, 2021

2021 article

Fermi level pinning in Co-doped BaTiO3: Part II. Defect chemistry models

Bowes, P. C., Ryu, G. H., Baker, J. N., Dickey, E. C., & Irving, D. L. (2021, July 29). JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Vol. 7.

By: P. Bowes n, G. Ryu n, J. Baker n, E. Dickey n & D. Irving n

Contributors: P. Bowes n, G. Ryu n, J. Baker n, E. Dickey n & D. Irving n

author keywords: barium titanate; defects; density functional theory; dopants; doping; electrical properties
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 4, 2021

2021 journal article

Modeling the spatial control over point defect spin states via processing variables

JOURNAL OF APPLIED PHYSICS, 129(22).

By: P. Bowes n, Y. Wu n, J. Baker n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 16, 2021

2021 journal article

Native oxide reconstructions on AlN and GaN (0001) surfaces

JOURNAL OF APPLIED PHYSICS, 129(19).

By: K. Mirrielees n, J. Dycus n, J. Baker n, P. Reddy*, R. Collazo n, Z. Sitar n, J. LeBeau*, D. Irving n

Sources: Web Of Science, NC State University Libraries
Added: September 13, 2021

2021 journal article

Photochromism of UV-annealed Fe-doped SrTiO3

APPLIED PHYSICS LETTERS, 119(26).

By: Y. Wu n, P. Bowes n, J. Baker n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: December 28, 2021

2021 journal article

Prediction of chemical ordering in refractory high-entropy superalloys

APPLIED PHYSICS LETTERS, 119(11).

By: Y. Wu n & D. Irving n

Source: Web Of Science
Added: January 18, 2022

2021 journal article

Self-compensation in heavily Ge doped AlGaN: A comparison to Si doping

APPLIED PHYSICS LETTERS, 118(4).

By: S. Washiyama n, K. Mirrielees n, P. Bagheri n, J. Baker n, J. Kim n, Q. Guo n, R. Kirste*, Y. Guan n ...

Sources: Web Of Science, NC State University Libraries
Added: March 29, 2021

2020 journal article

Complexes and compensation in degenerately donor doped GaN

APPLIED PHYSICS LETTERS, 117(10).

By: J. Baker n, P. Bowes n, J. Harris n, R. Collazo n, Z. Sitar n & D. Irving n

Sources: Web Of Science, ORCID, NC State University Libraries
Added: October 12, 2020

2020 journal article

Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys

ACTA MATERIALIA, 189, 174–187.

author keywords: High-entropy alloys; Refractory metals; Intrinsic ductility; Density-functional theory; Linear elastic fracture mechanics
Source: Web Of Science
Added: May 8, 2020

2020 journal article

Influence of space charge on the conductivity of nanocrystalline SrTiO3

JOURNAL OF APPLIED PHYSICS, 128(1).

By: Y. Wu n, P. Bowes n, J. Baker n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 10, 2020

2020 journal article

Site preference of Y and Mn in nonstoichiometric BaTiO3 from first principles

PHYSICAL REVIEW MATERIALS, 4(8).

By: P. Bowes n, J. Baker n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: September 14, 2020

2020 journal article

Survey of acceptor dopants in SrTiO3: Factors limiting room temperature hole concentration

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 103(2), 1156–1173.

By: P. Bowes n, J. Baker n & D. Irving n

author keywords: defects; density functional theory; perovskite oxides
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: March 30, 2020

2019 journal article

An informatics software stack for point defect-derived opto-electronic properties: the Asphalt Project

MRS COMMUNICATIONS, 9(3), 839–845.

By: J. Baker n, P. Bowes n, J. Harris n & D. Irving n

TL;DR: An informatics and simulation suite to computationally accelerate materials discovery via high-throughput screening and machine learning methods will enable faster and more fundamental materials research, and reduce the cost and time associated with the materials development cycle. (via Semantic Scholar)
UN Sustainable Development Goal Categories
9. Industry, Innovation and Infrastructure (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: October 21, 2019

2019 journal article

Finite temperature elastic properties of equiatomic CoCrFeNi from first principles

SCRIPTA MATERIALIA, 162, 176–180.

By: Y. Wu n & D. Irving n

author keywords: Metal and alloys; Elastic behavior; Spin fluctuations; First-principle calculation; Density functional theory (DFT)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: February 25, 2019

2019 article

Mechanisms governing metal vacancy formation in BaTiO3 and SrTiO3 (vol 124, 114101, 2018)

Baker, J. N., Bowes, P. C., Harris, J. S., & Irving, D. L. (2019, January 7). JOURNAL OF APPLIED PHYSICS, Vol. 125.

By: J. Baker n, P. Bowes n, J. Harris n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: January 28, 2019

2019 journal article

Oxygen and silicon point defects in Al0.65Ga0.35N

PHYSICAL REVIEW MATERIALS, 3(5).

By: J. Harris n, B. Gaddy n, R. Collazo n, Z. Sitar n & D. Irving n

Sources: Web Of Science, NC State University Libraries
Added: June 17, 2019

2019 journal article

Space charge control of point defect spin states in AlN

APPLIED PHYSICS LETTERS, 115(5).

By: P. Bowes n, Y. Wu n, J. Baker n, J. Harris n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 26, 2019

2018 journal article

Conductivity of iron‐doped strontium titanate in the quenched and degraded states

Journal of the American Ceramic Society, 102(6), 3567–3577.

By: D. Long n, B. Cai n, J. Baker n, P. Bowes n, T. Bayer*, J. Wang*, R. Wang*, L. Chen* ...

Contributors: D. Long n, B. Cai n, J. Baker n, P. Bowes n, T. Bayer*, J. Wang*, R. Wang*, L. Chen* ...

author keywords: conductivity; defect chemistry; resistance degradation; strontium titanate
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries, Crossref
Added: May 20, 2019

2018 journal article

Doping and compensation in Al-rich AlGaN grown on single crystal AlN and sapphire by MOCVD

APPLIED PHYSICS LETTERS, 112(6).

By: I. Bryan n, Z. Bryan n, S. Washiyama n, P. Reddy*, B. Gaddy n, B. Sarkar n, M. Breckenridge n, Q. Guo n ...

Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2018 journal article

First-principles investigation of the micromechanical properties of fcc-hcp polymorphic high-entropy alloys

Scientific Reports, 8(1).

By: X. Li*, D. Irving n & L. Vitos*

TL;DR: First-principles alloy theory is employed to address the micro-mechanical properties of five polymorphic high-entropy alloys in their face-centered cubic and hexagonal close-packed phases and reveals a strong correlation between the polycrystalline moduli and the average valence electron concentration. (via Semantic Scholar)
Source: Crossref
Added: February 24, 2020

2018 journal article

Hydrogen solubility in donor-doped SrTiO3 from first principles

APPLIED PHYSICS LETTERS, 113(13).

By: J. Baker n, P. Bowes n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID
Added: October 16, 2018

2018 journal article

Imaging of Single Vacancies and Dopant Complexes in Aluminum Nitride

Microscopy and Microanalysis, 24(S1), 22–23.

By: T. Eldred n, J. Harris n, J. Baker n, D. Irving n & J. LeBeau n

Source: Crossref
Added: January 19, 2020

2018 journal article

Influence of impurities on the high temperature conductivity of SrTiO3

APPLIED PHYSICS LETTERS, 112(2).

By: P. Bowes n, J. Baker n, J. Harris n, B. Behrhorst n & D. Irving n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2018 journal article

Mechanisms governing metal vacancy formation in BaTiO3 and SrTiO3

JOURNAL OF APPLIED PHYSICS, 124(11).

By: J. Baker n, P. Bowes n, J. Harris n & D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID
Added: October 16, 2018

2018 journal article

On compensation in Si-doped AlN

APPLIED PHYSICS LETTERS, 112(15).

By: J. Harris n, J. Baker n, B. Gaddy n, I. Bryan n, Z. Bryan n, K. Mirrielees n, P. Reddy*, R. Collazo n, Z. Sitar n, D. Irving n

Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2018 journal article

Point-Defect Nature of the Ultraviolet Absorption Band in AIN

PHYSICAL REVIEW APPLIED, 9(5).

By: D. Alden n, J. Harris n, Z. Bryan n, J. Baker n, P. Reddy n, S. Mita*, G. Callsen*, A. Hoffmann* ...

Contributors: D. Alden n, J. Harris n, Z. Bryan n, J. Baker n, P. Reddy n, S. Mita*, G. Callsen*, A. Hoffmann* ...

Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2018 journal article

Structure of Ultrathin Native Oxides on III-Nitride Surfaces

ACS APPLIED MATERIALS & INTERFACES, 10(13), 10607–10611.

By: J. Dycus n, K. Mirrielees n, E. Grimley n, R. Kirste n, S. Mita n, Z. Sitar n, R. Collazo n, D. Irving n, J. LeBeau n

author keywords: ultrathin oxides; surface reconstructions; group III nitrides; scanning transmission electron microscopy; density functional theory
TL;DR: In this study, aberration corrected scanning transmission electron microscopy reveals directly, and with depth dependence, the structure of ultrathin native oxides that form on AlN and GaN surfaces, and shows that the oxide layers are comprised of tetrahedra-octahedra cation-oxygen units, in an arrangement similar to bulk θ-Al2O3 and β-Ga2 O3. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2018 journal article

Tensile and shear loading of four fcc high-entropy alloys: A first-principles study

PHYSICAL REVIEW B, 97(9).

Source: Web Of Science
Added: August 6, 2018

2017 journal article

Alloying effect on the elastic properties of refractory high-entropy alloys

MATERIALS & DESIGN, 114, 243–252.

By: L. Tian*, G. Wang*, J. Harris n, D. Irving n, J. Zhao* & L. Vitos*

author keywords: High-entropy alloys; Lattice parameter; Elastic constant; Local lattice distortion; Alloying effect
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Defect mechanisms of coloration in Fe-doped SrTiO3 from first principles

Applied Physics Letters, 110(12), 122903.

By: J. Baker n, P. Bowes n, D. Long n, A. Moballegh n, J. Harris n, E. Dickey n, D. Irving n

Contributors: J. Baker n, P. Bowes n, D. Long n, A. Moballegh n, J. Harris n, E. Dickey n, D. Irving n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries, Crossref
Added: August 6, 2018

2017 journal article

Structure and Chemistry of Oxide Surface Reconstructions in III-Nitrides Observed using STEM EELS

Microscopy and Microanalysis, 23(S1), 1444–1445.

By: J. Dycus n, K. Mirrielees n, E. Grimley n, R. Dhall n, R. Kirste*, S. Mita*, Z. Sitar n, R. Collazo n, D. Irving n, J. LeBeau n

UN Sustainable Development Goal Categories
14. Life Below Water (OpenAlex)
Sources: Crossref, NC State University Libraries
Added: February 19, 2020

2017 journal article

Utilizing High-temperature Atomic-resolution STEM and EELS to Determine Reconstructed Surface Structure of Complex Oxide

Microscopy and Microanalysis, 23(S1), 1596–1597.

By: W. Xu n, P. Bowes n, E. Grimley n, D. Irving n & J. LeBeau n

Source: Crossref
Added: February 24, 2020

2016 journal article

Defect chemistry and resistance degradation in Fe-doped SrTiO3 single crystal

Acta Materialia, 108, 229–240.

By: J. Wang*, H. Huang*, T. Bayer*, A. Moballegh n, Y. Cao*, A. Klein*, E. Dickey n, D. Irving n ...

Contributors: J. Wang*, H. Huang*, T. Bayer*, A. Moballegh n, Y. Cao*, A. Klein*, E. Dickey n, D. Irving n, C. Randall*, L. Chen*

author keywords: Resistance degradation; SrTiO3; Defect transport; Defect; Chemistry; Oxygen vacancies
Sources: Web Of Science, ORCID, NC State University Libraries, Crossref
Added: August 6, 2018

2016 journal article

First principles exploration of near-equiatomic NiFeCrCo high entropy alloys

JOURNAL OF ALLOYS AND COMPOUNDS, 672, 510–520.

By: C. Niu n, A. Zaddach n, C. Koch n & D. Irving n

author keywords: High entropy alloy; Elastic properties; Density functional theory
Source: Web Of Science
Added: August 6, 2018

2016 journal article

In-situ real-space imaging of single crystal surface reconstructions via electron microscopy

APPLIED PHYSICS LETTERS, 109(20).

By: W. Xu n, P. Bowes n, E. Grimley n, D. Irving n & J. LeBeau n

UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2016 journal article

Probing the subtleties of atomic distortions through accurate STEM imaging and density functional theory

Microscopy and Microanalysis, 22(S3), 1400–1401.

By: J. LeBeau n, X. Sang n, J. Dycus n, C. Nui n & D. Irving n

Source: Crossref
Added: February 24, 2020

2016 journal article

Structure and magnetic properties of a multi-principal element Ni-Fe-Cr-Co-Zn-Mn alloy

INTERMETALLICS, 68, 107–112.

By: A. Zaddach n, C. Niu n, A. Oni n, M. Fan n, J. LeBeau n, D. Irving n, C. Koch n

author keywords: Nanocrystalline metals; Magnetic properties; Phase stability; Mechanical alloying and milling; Ab-initio calculations; Electron microscopy, transmission
Source: Web Of Science
Added: August 6, 2018

2016 journal article

The relation of electrical conductivity profiles and modulus data using the example of STO:Fe single crystals: A path to improve the model of resistance degradation

Acta Materialia, 117, 252–261.

By: T. Bayer*, J. Wang*, J. Carter*, A. Moballegh n, J. Baker n, D. Irving n, E. Dickey n, L. Chen*, C. Randall*

Contributors: T. Bayer*, J. Wang*, J. Carter*, A. Moballegh n, J. Baker n, D. Irving n, E. Dickey n, L. Chen*, C. Randall*

author keywords: Resistance degradation; Perovskites; Impedance spectroscopy; Conductivity profiles; Combined study of measurement and simulation
Sources: Web Of Science, NC State University Libraries, Crossref, ORCID
Added: August 6, 2018

2015 journal article

A Novel Low-Density, High-Hardness, High-entropy Alloy with Close-packed Single-phase Nanocrystalline Structures

MATERIALS RESEARCH LETTERS, 3(2), 95–99.

By: K. Youssef*, A. Zaddach n, C. Niu n, D. Irving n & C. Koch n

author keywords: Mechanical Alloying; X-ray Diffraction; Hardness; Nanocrystalline; High-entropy Alloys
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Accurate Nanoscale Crystallography in Real-Space Using Scanning Transmission Electron Microscopy

MICROSCOPY AND MICROANALYSIS, 21(4), 946–952.

By: J. Dycus n, J. Harris n, X. Sang n, C. Fancher n, S. Findlay*, A. Oni n, T. Chan n, C. Koch n ...

author keywords: scanning transmission electron microscopy; atomic resolution spectroscopy; nanoscale metrology; Bi2Te3
TL;DR: It is shown that the incorporation of Se into Bi2Te3 causes charge redistribution that anomalously increases the van der Waals gap between building blocks of the layered structure. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Direct observation of charge mediated lattice distortions in complex oxide solid solutions

APPLIED PHYSICS LETTERS, 106(6).

By: X. Sang n, E. Grimley n, C. Niu n, D. Irving n & J. LeBeau n

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2015 journal article

Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics

Nature Materials, 14(4), 414–420.

By: E. Sachet n, C. Shelton n, J. Harris n, B. Gaddy n, D. Irving n, S. Curtarolo*, B. Donovan*, P. Hopkins* ...

TL;DR: This work shows that CdO:Dy is a model system for intrinsic and extrinsic manipulation of defects affecting electrical, optical and thermal properties, that oxide conductors are ideal candidates for plasmonic devices and that the defect engineering approach for property optimization is generally applicable to other conducting metal oxides. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2015 journal article

Highly Accurate Real Space Nanometrology Using Revolving Scanning Transmission Electron Microscopy

Microscopy and Microanalysis, 21(S3), 2245–2246.

By: J. Dycus n, J. Harris n, X. Sang n, C. Fancher n, S. Findlay*, A. Oni n, T. Chan n, C. Koch n ...

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Crossref
Added: February 24, 2020

2015 journal article

New Method for Extracting Diffusion-Controlled Kinetics from Differential Scanning Calorimetry: Application to Energetic Nanostructures

The Journal of Physical Chemistry C, 119(25), 150610143303004.

By: S. Lu n, E. Mily n, D. Irving n, J. Maria n & D. Brenner n

UN Sustainable Development Goal Categories
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2015 journal article

Revealing Unit Cell Level Distortions in Random Oxide Solid Solutions by Scanning Transmission Electron Microscopy and the Projected Pair Distribution Function

Microscopy and Microanalysis, 21(S3), 1239–1240.

By: X. Sang n, E. Grimley n, C. Niu n, D. Irving n & J. LeBeau n

Source: Crossref
Added: February 24, 2020

2015 journal article

Spin-driven ordering of Cr in the equiatomic high entropy alloy NiFeCrCo

APPLIED PHYSICS LETTERS, 106(16).

By: C. Niu n, A. Zaddach n, A. Oni n, X. Sang n, J. Hurt*, J. LeBeau n, C. Koch n, D. Irving n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Fermi level control of compensating point defects during metalorganic chemical vapor deposition growth of Si-doped AlGaN

APPLIED PHYSICS LETTERS, 105(22).

By: Z. Bryan n, I. Bryan n, B. Gaddy n, P. Reddy n, L. Hussey n, M. Bobea n, W. Guo n, M. Hoffmann n ...

Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2014 journal article

Overcoming the polarization catastrophe in the rocksalt oxides MgO and CaO

PHYSICAL REVIEW B, 90(12).

By: B. Gaddy n, E. Paisley n, J. Maria n & D. Irving n

Source: Web Of Science
Added: August 6, 2018

2014 journal article

Putting a New Spin on Scanning Transmission Electron Microscopy

Microscopy and Microanalysis, 20(S3), 140–141.

By: X. Sang n, E. Grimley n, C. Niu n, D. Irving n & J. LeBeau n

Source: Crossref
Added: August 28, 2020

2014 journal article

Smooth cubic commensurate oxides on gallium nitride

JOURNAL OF APPLIED PHYSICS, 115(6).

By: E. Paisley n, B. Gaddy n, J. LeBeau n, C. Shelton n, M. Biegalski*, H. Christen*, M. Losego n, S. Mita n ...

Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2014 journal article

The role of the carbon-silicon complex in eliminating deep ultraviolet absorption in AlN

APPLIED PHYSICS LETTERS, 104(20).

By: B. Gaddy n, Z. Bryan n, I. Bryan n, J. Xie*, R. Dalmau*, B. Moody*, Y. Kumagai*, T. Nagashima* ...

Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2013 journal article

Effects of alloying and local order in AuNi contacts for Ohmic radio frequency micro electro mechanical systems switches via multi-scale simulation

JOURNAL OF APPLIED PHYSICS, 113(20).

By: B. Gaddy n, A. Kingon* & D. Irving n

Source: Web Of Science
Added: August 6, 2018

2013 journal article

Impact of Joule heating, roughness, and contaminants on the relative hardness of polycrystalline gold

Journal of Physics. Condensed Matter, 25(47).

By: C. Freeze n, X. Ji n, A. Kingon* & D. Irving n

TL;DR: Surprisingly, an unmodified Au polycrystalline substrate is found to be softer than one containing a void for conditions of high stress and an applied voltage of 0.2 V. (via Semantic Scholar)
Source: NC State University Libraries
Added: August 6, 2018

2013 journal article

Mechanical Properties and Stacking Fault Energies of NiFeCrCoMn High-Entropy Alloy

JOM, 65(12), 1780–1789.

By: A. Zaddach n, C. Niu n, C. Koch n & D. Irving n

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Crossref, Web Of Science
Added: August 6, 2018

2013 journal article

Vacancy compensation and related donor-acceptor pair recombination in bulk AlN

APPLIED PHYSICS LETTERS, 103(16).

By: B. Gaddy n, Z. Bryan n, I. Bryan n, R. Kirste n, J. Xie*, R. Dalmau*, B. Moody*, Y. Kumagai* ...

Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2012 journal article

An angular-dependent embedded atom method (A-EAM) interatomic potential to model thermodynamic and mechanical behavior of Al/Si composite materials

Modelling and Simulation in Materials Science and Engineering, 20(3), 035007.

By: A. Dongare n, B. LaMattina*, D. Irving n, A. Rajendran*, M. Zikry n & D. Brenner n

Contributors: A. Dongare n, B. Lamattina*, D. Irving n, A. Rajendran*, M. Zikry n & D. Brenner n

UN Sustainable Development Goal Categories
Sources: Crossref, NC State University Libraries, ORCID, NC State University Libraries
Added: August 6, 2018

2012 journal article

On the origin of the 265 nm absorption band in AlN bulk crystals

APPLIED PHYSICS LETTERS, 100(19).

By: R. Collazo n, J. Xie*, B. Gaddy n, Z. Bryan n, R. Kirste n, M. Hoffmann n, R. Dalmau*, B. Moody* ...

Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2011 journal article

Surfactant-enabled epitaxy through control of growth mode with chemical boundary conditions

NATURE COMMUNICATIONS, 2.

By: E. Paisley n, M. Losego n, B. Gaddy n, J. Tweedie n, R. Collazo n, Z. Sitar n, D. Irving n, J. Maria n

TL;DR: This work presents a general synthesis methodology, involving systematic control of the chemical boundary conditions in situ, by which the crystal habit, and thus growth mode, can be actively engineered, and establishes the capability for layer-by-layer deposition in systems that otherwise default to island formation and grainy morphology. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2010 journal article

Atomic and multi-scale modeling of non-equilibrium dynamics at metal–metal contacts

Modelling and Simulation in Materials Science and Engineering, 18(3), 034001.

By: J. Crill n, X. Ji n, D. Irving n, D. Brenner n & C. Padgett*

Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2010 journal article

Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al-Pb alloys

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 527(7-8), 1769–1775.

By: Y. Purohit n, L. Sun n, D. Irving n, R. Scattergood n & D. Brenner n

author keywords: Segregation; Grain boundary; Grain stabilization; Bi-crystal; Nanostructure; Al; Pb
Source: Web Of Science
Added: August 6, 2018

2010 chapter

Computer Simulation of Nanometer-Scale Indentation and Friction'

In Handbook of Nanotechnology, Third Edition (pp. 955–1012). New York: Springer.

By: S. Sinnott, S. Heo, D. Brenner, J. Harrison & D. Irving

Source: NC State University Libraries
Added: August 6, 2018

2010 chapter

Understanding Metal/Metal Electrical Contact Conductance from the Atomic to Continuum Scales

By: D. Irving n

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

Coupled molecular dynamics/continuum simulations of Joule heating and melting of isolated copper-aluminum asperity contacts

Modelling and Simulation in Materials Science and Engineering, 17(1).

By: D. Irving, C. Padgett & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

First-principles investigation of the structure and synergistic chemical bonding of Ag and Mg at the Al vertical bar Omega interface in a Al-Cu-Mg-Ag alloy

ACTA MATERIALIA, 57(12), 3522–3528.

By: L. Sun n, D. Irving n, M. Zikry n & D. Brenner n

Contributors: L. Sun n, D. Irving n, M. Zikry n & D. Brenner n

author keywords: Aluminum alloys; Density functional theory (DFT)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries, ORCID
Added: August 6, 2018

2009 journal article

Integrated experimental, atomistic, and microstructurally based finite element investigation of the dynamic compressive behavior of 2139 aluminum

Journal of Applied Mechanics: Transactions of the ASME, 76(5).

By: K. Elkhodary, L. Sun, D. Irving, D. Brenner, G. Ravichandran & M. Zikry

Source: NC State University Libraries
Added: August 6, 2018

2009 article

Multiscale Modeling of Metal-Metal Contact Dynamics Under High Electromagnetic Stress: Timescales and Mechanisms for Joule Melting of Al-Cu Asperities

Irving, D. L., Padgett, C. W., Guo, Y., Mintmire, J. W., & Brenner, D. W. (2009, January). IEEE TRANSACTIONS ON MAGNETICS, Vol. 45, pp. 331–335.

By: D. Irving n, C. Padgett*, Y. Guo*, J. Mintmire* & D. Brenner n

author keywords: Asperity; Joule heating; molecular dynamics simulations; multiscale modeling
Source: Web Of Science
Added: August 6, 2018

2008 article

Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid

Purohit, Y., Jang, S., Irving, D. L., Padgett, C. W., Scattergood, R. O., & Brenner, D. W. (2008, October 15). MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 97–100.

By: Y. Purohit n, S. Jang n, D. Irving n, C. Padgett*, R. Scattergood n & D. Brenner n

author keywords: bicrystal; Monte Carlo; segregation; grain boundary energy; grain growth
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Coupled molecular dynamics/continuum simulations of Joule heating and melting of isolated copper–aluminum asperity contacts

Modelling and Simulation in Materials Science and Engineering, 17(1), 015004.

By: D. Irving n, C. Padgett* & D. Brenner n

Source: Crossref
Added: November 15, 2020

2008 journal article

Influence of Pb segregation on the deformation of nanocrystalline Al: Insights from molecular simulations

ACTA MATERIALIA, 56(17), 4750–4761.

By: S. Jang n, Y. Purohit n, D. Irving n, C. Padgett n, D. Brenner n & R. Scattergood n

author keywords: MD simulations; MC simulations; Al-Pb alloys; Nanocrystalline materials; Plastic deformation
Source: Web Of Science
Added: August 6, 2018

2008 journal article

MEMS Lubrication: An atomistic perspective of a bound+ mobile lubricant'

Materials Research Society Symposium Proceedings, 1052, 29–34.

By: D. Irving & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2008 article

Molecular dynamics simulations of deformation in nanocrystalline Al-Pb alloys

Jang, S., Purohit, Y., Irving, D., Padgett, C., Brenner, D., & Scattergood, R. O. (2008, October 15). MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 53–57.

author keywords: MD straining simulation; Al-Pb alloys; grain boundary segregation
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Prediction of Energies of <100> Tilt Boundaries in Al-Pb Alloy

Materials Research Society Symposium Proceedings, 1056E, 1056–HH01-105610.

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

The role of creep in the time-dependent resistance of Ohmic gold contacts in radio frequency microelectromechanical system devices

Journal of Applied Physics, 104(2), 024513.

By: O. Rezvanian n, C. Brown n, M. Zikry n, A. Kingon n, J. Krim n, D. Irving n, D. Brenner n

Contributors: O. Rezvanian n, C. Brown n, M. Zikry n, A. Kingon n, J. Krim n, D. Irving n, D. Brenner n

UN Sustainable Development Goal Categories
16. Peace, Justice and Strong Institutions (OpenAlex)
Sources: Crossref, NC State University Libraries, ORCID, NC State University Libraries
Added: August 6, 2018

2007 journal article

Calculated Optical Absorption and Emissions from Poly p-Phenylene Oligomers

Journal of Luminescence, 126, 278.

By: D. Irving, B. Devine & S. Sinnott

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

Computational study of steric effects on the optical properties of oligomers

Journal of Luminescence, 126(2), 278–288.

By: D. Irving*, B. Devine* & S. Sinnott*

author keywords: optical absorption; optical emission; semi-empirical quantum calculation
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: Crossref
Added: August 28, 2020

2007 journal article

Multiscale analysis of liquid lubrication trends from industrial machines to micro-electrical-mechanical systems

LANGMUIR, 23(18), 9253–9257.

By: D. Brenner n, D. Irving n, A. Kingon n, J. Krim n & C. Padgett*

Contributors: D. Brenner n, D. Irving n, A. Kingon n, J. Krim n & C. Padgett*

TL;DR: An analytic multiscale expression is derived that yields conditions for effective liquid lubrication of oscillating contacts via surface flow over multiple time and length scales and predicts that existing lubricants are sufficient for next-generation data storage. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2006 journal article

Diffusion on a self-assembled monolayer: Molecular modeling of a bound plus mobile lubricant

JOURNAL OF PHYSICAL CHEMISTRY B, 110(31), 15426–15431.

By: D. Irving n & D. Brenner n

TL;DR: The diffusion of tricresyl phosphate molecules on an octadecyltrichlorosilane self-assembled monolayer (SAM) was characterized using molecular dynamics simulations and an anisotropic barrier is predicted for diffusion into a defect created by reducing the alkane chain length within a cylinderical region of the surface. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Ion deposition induced modification of carbon nanopeapods: A computational study

Chemical Physics Letters, 422(1-3), 137–141.

By: Y. Hu*, D. Irving* & S. Sinnott*

Source: Crossref
Added: August 28, 2020

2006 journal article

Relative stabilities of Ag multilayers on GaAs and GaSb determined from ab initio calculations

Physical Review. B, Condensed Matter and Materials Physics, 74, 195403.

By: D. Irving*, S. Sinnott* & R. Wood*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

STM, QCM, and the windshield wiper effect: A joint theoretical-experimental study of adsorbate mobility and lubrication at high sliding rates

LANGMUIR, 22(23), 9606–9609.

By: M. Abdelmaksoud n, S. Lee n, C. Padgett n, D. Irving n, D. Brenner n & J. Krim n

Contributors: M. Abdelmaksoud n, S. Lee n, C. Padgett n, D. Irving n, D. Brenner n & J. Krim n

TL;DR: It is observed that when mobile adsorbed films of benzene, tricresyl phosphate, and tertiary-butyl phenyl phosphate are present on the surface electrode of a quartz crystal microbalance (QCM), oscillation of the QCM produces clearer scanning tunneling microscope (STM) images of the electrode surface. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2004 journal article

Interaction of functionalized benzene molecules with carbon nanopores

Chemical Physics Letters, 389(1-3), 96–100.

By: D. Irving*, S. Sinnott & A. Lindner

Source: Crossref
Added: August 28, 2020

conference paper

On the origin of the 4.7 eV absorption and 2.8 eV emission bands in bulk AlN substrates

Alden, D., Bryan, Z., Gaddy, B. E., Bryan, I., Callsen, G., Koukitu, A., … Collazo, R. Wide bandgap semiconductor materials and devices 17, 72(5), 31–40.

By: D. Alden, Z. Bryan, B. Gaddy, I. Bryan, G. Callsen, A. Koukitu, Y. Kumagai, A. Hoffmann ...

Source: NC State University Libraries
Added: August 6, 2018

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