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1

Ab initio theory and calculations of X-ray spectra

John J. Rehr, Joshua J. Kas, Micah P. Prange, Adam P. Sorini, Yoshinari Takimoto, Fernando Vila

Journal:

Comptes Rendus Physique

Year:

2009

File:

PDF, 253 KB

2009

2

Atomic-Resolution Imaging of Spin-State Superlattices in Nanopockets within Cobaltite Thin Films

Gazquez, Jaume, Luo, Weidong, Oxley, Mark P., Prange, Micah, Torija, Maria A., Sharma, Manish, Leighton, Chris, Pantelides, Sokrates T., Pennycook, Stephen J., Varela, Maria

Journal:

Year:

2011

Language:

english

File:

PDF, 2.96 MB

english, 2011

3

Parameter-free calculations of X-ray spectra with FEFF9

Rehr, John J., Kas, Joshua J., Vila, Fernando D., Prange, Micah P., Jorissen, Kevin

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.45 MB

english, 2010

4

Direct Determination of the Chemical Bonding of Individual Impurities in Graphene

Zhou, Wu, Kapetanakis, Myron D., Prange, Micah P., Pantelides, Sokrates T., Pennycook, Stephen J., Idrobo, Juan-Carlos

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 1.33 MB

english, 2012

5

Scientific Computing in the Cloud

Rehr, John, Vila, Fernando, Gardner, Jeffrey, Svec, Lukas, Prange, Micah

Journal:

Computing in Science & Engineering

Year:

2011

Language:

english

File:

PDF, 2.12 MB

english, 2011

6

Period-doubling cascade to chaotic phase dynamics in Taylor vortex flow with hourglass geometry

Wiener, Richard J., Snyder, Geoffrey L., Prange, Micah P., Frediani, Daniel, Diaz, Paul R.

Journal:

Physical Review E

Year:

1997

Language:

english

File:

PDF, 542 KB

english, 1997

7

Physically motivated global alignment method for electron tomography

Sanders, Toby, Prange, Micah, Akatay, Cem, Binev, Peter

Journal:

Advanced Structural and Chemical Imaging

Year:

2015

Language:

english

File:

PDF, 1.72 MB

english, 2015

8

SPIE Proceedings [SPIE SPIE Optical Engineering + Applications - San Diego, California, United States (Sunday 17 August 2014)] Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XVI - Radiation response of inorganic scintillators: insights from Monte Carlo simulations

Burger, Arnold, Franks, Larry, James, Ralph B., Fiederle, Michael, Prange, Micah, Wu, Dangxin, Xie, Yulong, Campbell, Luke W., Gao, Fei, Kerisit, Sebastien

Year:

2014

Language:

english

File:

PDF, 4.13 MB

english, 2014

9

Inelastic STEM Imaging Based on Low-Loss Spectroscopy

Oxley, Mark P., Kapatenakis, Myron D., Prange, Micah P., Zhou, Wu, Idrobo, Juan-Carlos, Pennycook, Stephen J., Pantelides, Sokrates T.

Journal:

Microscopy and Microanalysis

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

10

Simulation of Probe Position-Dependent Electron Energy-Loss Fine Structure

Oxley, Mark P., Kapetanakis, Myron D., Prange, Micah P., Varela, Maria, Pennycook, Stephen J., Pantelides, Sokrates T.

Journal:

Microscopy and Microanalysis

Year:

2014

Language:

english

File:

PDF, 1.79 MB

english, 2014

11

Atomic Imaging and Spectroscopy of Two-Dimensional Materials

Idrobo, Juan Carlos, Zhou, Wu, Kapetanakis, Myron, Prange, Micah P., Basile, Leonardo, Pantelides, Sokrates T., Pennycook, Stephen J.

Journal:

Microscopy and Microanalysis

Year:

2014

Language:

english

File:

PDF, 1.15 MB

english, 2014

12

First-principles search for efficient activators for LaI3

Wu, Dangxin, Prange, Micah P., Gao, Fei, Kerisit, Sebastien

Journal:

Journal of Luminescence

Year:

2016

Language:

english

File:

PDF, 2.73 MB

english, 2016

13

Low-loss electron energy loss spectroscopy: An atomic-resolution complement to optical spectroscopies and application to graphene

Kapetanakis, Myron D., Zhou, Wu, Oxley, Mark P., Lee, Jaekwang, Prange, Micah P., Pennycook, Stephen J., Idrobo, Juan Carlos, Pantelides, Sokrates T.

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 7.98 MB

english, 2015

14

Molecular Dynamics Simulations of the Interfacial Region between Boehmite and Gibbsite Basal Surfaces and High Ionic Strength Aqueous Solutions

Shen, Zhizhang, Ilton, Eugene S., Prange, Micah P., Kerisit, Sebastien N.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.83 MB

english, 2017

15

Monte Carlo simulation of electron thermalization in scintillator materials: Implications for scintillator nonproportionality

Prange, Micah P., Xie, YuLong, Campbell, Luke W., Gao, Fei, Kerisit, Sebastien

Journal:

Journal of Applied Physics

Year:

2017

Language:

english

File:

PDF, 5.08 MB

english, 2017

16

Predicting Surface Energies and Particle Morphologies of Boehmite (γ-AlOOH) from Density Functional Theory

Prange, Micah P, Zhang, Xin, Bowden, Mark E., Shen, Zhizhang, Ilton, Eugene S, Kerisit, Sebastien

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.87 MB

english, 2018

17

Electronic response of aluminum-bearing minerals

Prange, Micah P., Zhang, Xin, Ilton, Eugene S., Kovarik, Libor, Engelhard, Mark H., Kerisit, Sebastien N.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.04 MB

english, 2018

18

Boehmite and Gibbsite Nanoplates for the Synthesis of Advanced Alumina Products

Zhang, Xin, Huestis, Patricia, Pearce, Carolyn I., Hu, Jian Zhi, Page, Katharine, Anovitz, Lawrence M., Aleksandrov, Alexandr, Prange, Micah P, Kerisit, Sebastien N., Bowden, Mark E., Cui, Wenwen, Wan

Journal:

ACS Applied Nano Materials

Year:

2018

Language:

english

File:

PDF, 1.43 MB

english, 2018

19

Diffusion Mechanisms of Radiolytic Species in Irradiated Al (Oxy-)Hydroxides

Shen, Zhizhang, Ilton, Eugene S., Prange, Micah P, Mundy, Christopher J., Kerisit, Sebastien N.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 940 KB

english, 2018

20

Separation of Radiolytic Species at the Boehmite-Water Interface

Kerisit, Sebastien N., Shen, Zhizhang, Prange, Micah P, Ilton, Eugene S.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 713 KB

english, 2019

21

Transformation of Gibbsite to Boehmite in Caustic Aqueous Solution at Hydrothermal Conditions

Zhang, Xin, Cui, Wenwen, Hu, Jian Zhi, Wang, Hsiu-Wen, Prange, Micah P, Wan, Chuan, Jaegers, Nicholas R., Zong, Meirong, Zhang, Hailin, Pearce, Carolyn I., Li, Ping, Wang, Zheming, Clark, Sue B., Ross

Journal:

Crystal Growth & Design

Year:

2019

Language:

english

File:

PDF, 1.02 MB

english, 2019

22

Robust Physical Alignment Models for Electron Tomography

Sanders, Toby, Prange, Micah, Binev, Peter, Akatay, Cem, Arslan, Ilke

Journal:

Microscopy and Microanalysis

Year:

2015

Language:

english

File:

PDF, 1.85 MB

english, 2015

23

The Association of Defects and Zinc in Hematite

Bylaska, Eric J., Catalano, Jeffrey G., Mergelsberg, Sebastian, Saslow, Sarah A., Qafoku, Odeta, Prange, Micah P, Ilton, Eugene S.

Journal:

Environmental Science & Technology

Year:

2019

Language:

english

File:

PDF, 1.48 MB

english, 2019

24

The Association of Defects and Zinc in Hematite

Bylaska, Eric J., Catalano, Jeffrey G., Mergelsberg, Sebastian, Saslow, Sarah A., Qafoku, Odeta, Prange, Micah P, Ilton, Eugene S.

Journal:

Environmental Science & Technology

Year:

2019

File:

PDF, 1.48 MB

2019

25

Ab initio molecular dynamics simulation of Nd3+ incorporation in calcite

Kerisit, Sebastien N., Prange, Micah P.

Journal:

Chemical Geology

Year:

2020

File:

PDF, 1.36 MB

2020

26

Ab initio calculations of the rate of carrier trapping and release at dopant sites in NaI: Tl beyond the harmonic approximation

Prange, Micah P., Govind, Niranjan, Kerisit, Sebastien N.

Journal:

Physical Review B

Year:

2020

Language:

english

File:

PDF, 1.17 MB

english, 2020

27

Electronic and Vibrational Contributions to the Bulk Stabilities of Trivalent 3d Transition Metal Oxyhydroxides from Electronic Structure Calculations

Prange, Micah P, Pope, Daniel J., Rosso, Kevin M.

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 1.31 MB

2020

28

Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization

Dembowski, Mateusz, Prange, Micah P., Pouvreau, Maxime, Graham, Trent R., Bowden, Mark E., N'Diaye, Alpha, Schenter, Gregory K., Clark, Sue B., Clark, Aurora E., Rosso, Kevin M., Pearce, Carolyn I.

Journal:

Dalton Transactions

Year:

2020

File:

PDF, 2.89 MB

2020

29

Rethinking the magnetic properties of lepidocrocite: A density functional theory and cluster expansion study

Pope, Daniel J., Clark, Aurora E., Rosso, Kevin M., Prange, Micah P.

Journal:

Journal of Applied Physics

Year:

2020

File:

PDF, 1.84 MB

2020

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