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Employment (2)

Oak Ridge National Laboratory: Oak Ridge, US

2021-06-01 to present | R&D Staff (Computational Chemistry)
Employment
Source: Self-asserted source
Sara Isbill

Oak Ridge National Laboratory: Oak Ridge, Tennessee, US

2019-07-29 to 2021-06-01 | Postdoctoral Research Associate (Computational Chemistry)
Employment
Source: Self-asserted source
Sara Isbill

Education and qualifications (2)

University of Tennessee, Knoxville: Knoxville, TN, US

2014-08-01 to 2019-05-31 | Doctor of Philosophy (Chemistry)
Education
Source: Self-asserted source
Sara Isbill

Lee University: Cleveland, TN, US

2011-08-01 to 2014-05-31 | Bachelor of Science (Chemistry)
Education
Source: Self-asserted source
Sara Isbill

Works (18)

Strain-Induced Shifts in Defective Graphite Phonon Modes Predicted by Density Functional Theory

The Journal of Physical Chemistry C
2024-10-03 | Journal article | Author
DOI: 10.1021/acs.jpcc.4c03191
Part of ISSN: 1932-7447
Part of ISSN: 1932-7455
Contributors: Sara Isbill; Ashley E. Shields; Zachary Brubaker; Andrew Miskowiec; J. L. Niedziela
Source: Self-asserted source
Sara Isbill

Product-specific kinetics reveal effect of epoxy crystallization on thermoset thermal degradation

Polymer
2024-05 | Journal article
DOI: 10.1016/j.polymer.2024.127003
Part of ISSN: 0032-3861
Contributors: Derek Dwyer; Nidia C. Gallego; Sara Isbill; Andrew Miskowiec; J.L. Niedziela
Source: Self-asserted source
Sara Isbill

Investigating the role of phonons in the phase stability of uranium-based Laves phases

RSC Advances
2023 | Journal article | Author
DOI: 10.1039/d3ra00498h
Part of ISSN: 2046-2069
Contributors: Erik Nykwest; Ashley E. Shields; Zachary Brubaker; J. L. Niedziela; Sara Isbill; Andrew Miskowiec
Source: Self-asserted source
Sara Isbill

Fluorescent aggregate structure revealed in bisphenol F epoxy thermoset

Polymer
2023-09 | Journal article | Author
DOI: 10.1016/j.polymer.2023.126217
Part of ISSN: 0032-3861
Contributors: Derek Dwyer; Evan R. Glaser; Christopher Klug; Sara Isbill; Jong K. Keum; Wim Bras; Jennifer L. Niedziela; Andrew Miskowiec
Source: Self-asserted source
Sara Isbill

Connecting mechanical properties to hydrogen defects in PAN-based carbon fibers

Physical Review Materials
2023-09-14 | Journal article
DOI: 10.1103/physrevmaterials.7.093603
Part of ISSN: 2475-9953
Contributors: Zachary Brubaker; S. B. Isbill; Andrew Miskowiec; William Charlton; L. Daemen; J. L. Niedziela
Source: Self-asserted source
Sara Isbill

Insight into the Structural Ambiguity of Actinide(IV) Oxalate Sheet Structures: A Case for Alternate Coordination Geometries

Chemistry – A European Journal
2023-08-21 | Journal article
DOI: 10.1002/chem.202301164
Part of ISSN: 0947-6539
Part of ISSN: 1521-3765
Contributors: A. Kirstin Sockwell; Teagan F. M. Sweet; Brodie Barth; Sara B. Isbill; Nicole A. DiBlasi; Jennifer E. S. Szymanowski; Ginger E. Sigmon; Allen G. Oliver; Andrew J. Miskowiec; Peter C. Burns et al.
Source: Self-asserted source
Sara Isbill

Thermally Induced Structural Transitions in Epoxy Thermoset Polymer Networks and Their Spectroscopic Responses

ACS Applied Polymer Materials
2023-08-11 | Journal article
DOI: 10.1021/acsapm.3c00637
Part of ISSN: 2637-6105
Part of ISSN: 2637-6105
Contributors: Derek Dwyer; Sara Isbill; Zachary Brubaker; Jong K. Keum; Wim Bras; J. L. Niedziela
Source: Self-asserted source
Sara Isbill

Pressure-induced evolution of the lattice dynamics for selected UO3 polymorphs

Journal of Nuclear Materials
2023-06 | Journal article
DOI: 10.1016/j.jnucmat.2023.154577
Part of ISSN: 0022-3115
Contributors: Ashley E. Shields; J.L. Niedziela; Zachary Brubaker; Tyler L. Spano; Sara B. Isbill; Roger J. Kapsimalis; Andrew Miskowiec
Source: Self-asserted source
Sara Isbill

Computational insights into the lattice dynamics of Pu(IV) oxalates

Journal of Nuclear Materials
2023-01 | Journal article | Author
DOI: 10.1016/j.jnucmat.2022.154106
Part of ISSN: 0022-3115
Contributors: Sara Isbill; Elodia Ciprian; Jonathan H. Christian; Amy E. Hixon; Bryan J. Foley; Eliel Villa-Aleman; Andrew J. Miskowiec
Source: Self-asserted source
Sara Isbill

Computational investigation of hydrogen-induced phonon changes in carbon fiber

Computational Materials Science
2023-01 | Journal article
DOI: 10.1016/j.commatsci.2022.111884
Part of ISSN: 0927-0256
Contributors: Sara Isbill; Sara B. Isbill; Zach E. Brubaker; Ashley E. Shields; J.L. Niedziela
Source: Self-asserted source
Sara Isbill

Density functional theory investigations into the magnetic ordering of U3O8

Physical Review Materials
2022-10-19 | Journal article
DOI: 10.1103/physrevmaterials.6.104409
Part of ISSN: 2475-9953
Contributors: Sara Isbill; Ashley E. Shields; J. L. Niedziela; Andrew Miskowiec
Source: Self-asserted source
Sara Isbill

Structural Characterization of Uranium Tetrafluoride Hydrate (UF4·2.5H2O)

The Journal of Physical Chemistry C
2022-08-11 | Journal article
DOI: 10.1021/acs.jpcc.2c03034
Part of ISSN: 1932-7447
Part of ISSN: 1932-7455
Contributors: Kevin J. Pastoor; Andrew Miskowiec; J. L. Niedziela; Jonathan H. Christian; Bryan J. Foley; Sara B. Isbill; Ashley E. Shields; Alicia Manjón-Sanz; Erik C. Nykwest; Tyler Spano et al.
Source: Self-asserted source
Sara Isbill

Computational investigations of Dienes defect- and vacancy-induced changes in the electronic and vibrational properties of carbon fiber structural units

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/d1cp03930j
Part of ISSN: 1463-9076
Part of ISSN: 1463-9084
Source: Self-asserted source
Sara Isbill

Inelastic Neutron Spectra of Uranium Tetrafluoride Hydrate, UF4(H2O)2.5

The Journal of Physical Chemistry C
2021-11-18 | Journal article
DOI: 10.1021/acs.jpcc.1c05747
Part of ISSN: 1932-7447
Part of ISSN: 1932-7455
Source: Self-asserted source
Sara Isbill

Reviewing computational studies of defect formation and behaviors in carbon fiber structural units

Computational Materials Science
2021-07 | Journal article
DOI: 10.1016/j.commatsci.2021.110477
Part of ISSN: 0927-0256
Source: Self-asserted source
Sara Isbill

Influence of temperature on accessible pyrolysis pathways of homopolymerized bisphenol A/F epoxies and copolymers

Journal of Analytical and Applied Pyrolysis
2020-11-25 | Journal article
Source: Self-asserted source
Sara Isbill

Elucidation of the Reaction Mechanism of C2 + N1 Aziridination from Tetracarbene Iron Catalysts

ACS Catalysis
2019-05-31 | Journal article
DOI: 10.1021/acscatal.9b01306
Part of ISSN: 2155-5435
Part of ISSN: 2155-5435
Source: Self-asserted source
Sara Isbill

Structure of oxidised silver (1 1 1) and (1 1 0) surfaces

Molecular Simulation
2017-04-13 | Journal article
DOI: 10.1080/08927022.2016.1268258
Part of ISSN: 0892-7022
Part of ISSN: 1029-0435
Source: Self-asserted source
Sara Isbill
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