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MURI Publications

Recently Published, or in Press (by most recent year, then alphabetical order by first author's last name)

 

Publication Year 2016

Cao, Wanjun, Chris Marvel, Denise Yin, Yuanyao Zhang, Patrick Cantwell, Martin P. Harmer, Jian Luo, and Richard P. Vinci."Correlations between microstructure, fracture morphology, and fracture toughness of nanocrystalline Ni–W alloys." Scripta Materialia 113 (2016): 84-88.

Cantwell, Patrick R., Shuailei Ma, Stephanie A. Bojarski, Gregory S. Rohrer, and Martin P. Harmer. "Expanding time–temperature-transformation (TTT) diagrams to interfaces: A new approach for grain boundary engineering." Acta Materialia 106 (2016): 78-86.

Shen J. Dillon, Kaiping Tai, and Song Chen."The importance of grain boundary complexions in affecting physical properties of polycrystals” Submitted.

Lin Feng and Shen J. Dillon. "Cation Grain Boundary Diffusivity in Aliovalent Doped Aluminas” Submitted.

Lin Feng and Shen J. Dillon. "Cation Lattice Diffusivity in Aliovalent Doped Aluminas” Submitted.

Huang, Ting-Yun, Christopher J. Marvel, Patrick R. Cantwell, Martin P. Harmer, and Christopher A. Schuh. "Grain boundary segregation in Al–Mn electrodeposits prepared from ionic liquid." Journal of Materials Science 51, no. 1 (2016): 438-448.

Y. Jin, M. Bernacki, A. Agnoli, B. Lin, G.S. Rohrer, A.D. Rollett and N. Bozzolo. "Evolution of the Annealing Twin Density during delta-Supersolvus Grain Growth in the Nickel-Based Superalloy Inconel 718," Metals, 6 (2016) 5 (13 pp).

M.N. Kelly, K. Glowinski, N.T. Nuhfer, and G.S. Rohrer. "The Five Parameter Grain Boundary Character Distribution of alpha-Ti Determined from Three-Dimensional Orientation Data," Acta Materialia, 111 (2016) 22-30.

Lawrence, A., J. M. Rickman, M. P. Harmer, and A. D. Rollett. "Parsing abnormal grain growth." Acta Materialia 103 (2016): 681-687.

J Luo. “A Short Review of High-Temperature Wetting and Complexion Transitions with a Critical Assessment of Their Influence on Liquid Metal Embrittlement and Corrosion,” Corrosion, in press, published online.

Marvel, Christopher J., Denise Yin, Patrick R. Cantwell, and Martin P. Harmer. "The influence of oxygen contamination on the thermal stability and hardness of nanocrystalline Ni–W alloys." Materials Science and Engineering: A 664 (2016): 49-57.

Moghadam, M. M., J. M. Rickman, M. P. Harmer, and H. M. Chan. "Orientational anisotropy and interfacial transport in polycrystals." Surface Science 646 (2016): 204-209.

Rickman, J. M., M. P. Harmer, and H. M. Chan. "Grain-boundary layering transitions and phonon engineering." Surface Science 651 (2016): 1-4.

Rickman, J.M. J Luo. “Layering transitions at grain boundaries,” Current Opinion in Solid State and Materials, in press, published online.

Schumacher, Onthida, Christopher J. Marvel, Madeleine N. Kelly, Patrick R. Cantwell, Richard P. Vinci, Jeffrey M. Rickman, Gregory S. Rohrer, and Martin P. Harmer. "Complexion time-temperature-transformation (TTT) diagrams: Opportunities and challenges." Current Opinion in Solid State and Materials Science (2016).

M Tang, J Luo. Interface Science and the Formation of Structure, Chapter 11, for the book entitled “Data Analytics for Materials Characterization” edited by Jeff Simmons, Marc De Graef, Larry Drummy, and Charles Bouman

N Zhou, T Hu, J Huang, J Luo. “Stabilization of Nanocrystalline Alloys at High Temperatures via Utilizing High-Entropy Grain Boundary Complexions,” (submitted).

N Zhou, T Hu, J Luo. “Grain boundary complexions in multicomponent alloys: Challenges and opportunities,” Current Opinion in Solid State and Materials Science, in press, published online.

N Zhou and J Luo. “Systematics of Grain Boundary Adsorption Transitions,” Manuscript in preparation.

 

Publication Year 2015

Patrick R. Cantwell, Elizabeth Holm, Martin P. Harmer and Michael Hoffman, “Anti-thermal behavior in materials”, Scripta Materialia, 103 1-5 (2015).

D. Chatain, S. Curiotto, P. Wynblatt, H. Meltzman, W.D. Kaplan, G.S. Rohrer, "Orientation relationships of copper crystals on sapphire (10-10) m-plane and (10-12) r-plane substrates," Journal of Crystal Growth, 418 (2015) 57-63.

W.E. Frazier, G.S. Rohrer, and A.D. Rollett, "Abnormal Grain Growth in the Potts Model Incorporating Grain Boundary Complexion Transitions that Increase the Mobility of Individual Boundaries," Acta Materialia, 96 (2015) 390-398.

Q. Gao, P. C. Mende, M. Widom and R. M. Feenstra, "Inelastic effects in low-energy electron reflectivity of two-dimensional materials", J. Vac. Sci. Tech. B 33 (2015) 02B105.

Kracum, M.A., A. Kundu, M.P. Harmer, and H.M. Chan.  “Novel interpenetrating Cu-Al2O3 structures by controlled reduction of bulk CuAlO2.”  Journal of Materials Science: 1-7 (2015)

Lawrence, Abigail K., Animesh Kundu, Martin P. Harmer, Charles Compson, Joe Atria, and Marcel Spreij.  “Influence of Complexion Transitions on Microstucture Evolution in Specialty Aluminas.”  Journal of the American Ceramics Society (2015).

J. Luo, "Interfacial Engineering of Solid Electrolytes," Journal of Materiomics, 1, 22-32 (2015).

X. Liu, N.T. Nuhfer, A.P. Warren, K.R. Coffey, G.S. Rohrer, and K. Barmak, "Grain size dependence of the twin length fraction in nanocrystalline Cu thin films via transmission electron microscopy based orientation mapping," Journal of Materials Research, 30 (2015) 528-537.

Marvel, Christopher J., Patrick R. Cantwell, and Martin P. Harmer.  “The critical influence of carbon on the thermal stability of nanocrystalline Ni-W alloys.” Scripta Materalia 96 (2015): 45-48.

Moghadam, M.M., J.M. Rickman, M.P. Harmer, and Helen Chan. “The Role of boundary variability in polycrystalline grain-boundary diffusion.” Journal of Applied Physics 117, no. 4 (2015): 045311.

S. Ratanaphan, D.L. Olmsted, V.V. Bulatov, E.A. Holm, A.D. Rollett, and G.S. Rohrer, "Grain boundary energies in body-centered cubic metals," Acta Materialia, 88 (2015) 346-354.

W. Rheinheimer, M. Baurer, H. Chien, G.S. Rohrer, C.A. Handwerker, J.E. Blendell and M.J. Hoffmann, "The equilibrium crystal shape of strontium titanate and its relationship to the grain boundary plane distribution," Acta Materialia, 82 (2015) 32-40.
DOI: 10.1016/j.actamat.2014.08.065

Jeffrey M. Rickman, Abigail Lawrence, Anthony Rollet and Martin P. Harmer, “Calculating Probability Densities Associated with Grain-Size Distributions” Computational Material Science, 101 211-215 (2015).

Qian Wu, Helen M. Chan, Jeffrey M. Rickman and Martin P. Harmer, “Effect of Hf4+ Concentration on Oxygen Grain-Boundary Diffusion in Alumina”, J. Am. Ceram. Soc., accepted for publication DOI: 10.1111/jace.13762.       

Z. Yu, J. Luo, M.P. Harmer, and J. Zhu, "An order-disorder transition in surface complexions and its influence on crystal growth of boron-rich nanostructures," Crystal Growth & Design, in press (published on line)

Y. Zhang, J.-I. Jung, and J. Luo, "Thermal Runaway, Flash Sintering and Asymmetrical Microstructural Development of ZnO and ZnO–Bi2O3 under Direct Currents," Acta Materialia, 94, 87-100 (2015).

Publication Year 2014

Shantanu K. Behera, Patrick R. Cantwell, Martin P. Harmer. “A grain boundary mobility discontinuity in reactive element Zr-doped Al2O3,” Scripta Materialia, 90 (2014): 33-36.

S.A. Bojarski, M.P. Harmer, and G.S. Rohrer, "Influence of Grain Boundary Energy on the Nucleation of Complexion Transitions," Scripta Materialia, 88 (2014) 1-4. DOI: 10.1016/j.scriptamat.2014.06.016

H. Beladi, N.T. Nuhfer, and G.S. Rohrer, "The Five Parameter Grain Boundary Character and Energy Distributions of a Fully Austenitic High Manganese Steel Using Three Dimensional Data,"Acta Materialia, 70 (2014) 281-289. DOI: 10.1016/j.actamat.2014.02.038

H. Beladi, Q. Chao, and G.S. Rohrer, "Variant Selection and Intervariant Crystallographic Planes Distribution in Martensite in a Ti-6Al-4V Alloy," Acta Materialia, 80 (2014) 478-489.

H. Beladi, G.S. Rohrer, A.D. Rollett, V. Tari and P.D. Hodgson, "The Distribution of Intervariant Crystallographic Planes in a Lath Martensite Using Five Macroscopic Parameters," Acta Materialia, 63 (2014) 86-98. DOI: 10.1016/j.actamat.2013.10.010

S.A. Bojarski, M. Stuer, Z. Zhao, P. Bowen, G.S. Rohrer, "Influence of Y and La Additions on Grain Growth and the Grain Boundary Character Distribution of Alumina," Journal of the American Ceramic Society, 97 (2014) 622-630. DOI: 10.1111/jace.12669

P.R.Cantwell, M.Tang, S.J.Dillon, J.Luo, G.S.Rohrer and M.P.Harmer, "Grain Boundary Complexions,” Acta Materialia62 (2014) 1-48. DOI: 10.1016/j.actamat.2013.07.037

H. Gao, Y. Hu, Y. Xuan, J. Li, Y. Yang, R.V. Martinez, C. Li, J. Luo, M. Qi,  G.J. Cheng, “Large Scale Nanoshaping of Ultrasmooth 3D Crystalline Metallic Structures”, Science, 346 [6215], 1352-1356  (2014).

Q. Gao and M. Widom, "First Principles Study of Bismuth Films at Transition Metal Grain Boundaries", Phys. Rev. B 90 (2014) 144102.

P.G. Kotula, G.S. Rohrer and M.P. Marsh, "Focused ion beam and scanning electron microscopy for 3D materials characterization," MRS Bulletin, 39 (2014) 361-365. DOI: 10.1557/mrs.2014.55

X. Li, Alexandre Gloter, Hui Gu, Jian Luo, Xun Cao, Ping Jin and Christian Colliex, “ Discovery of nanoscale reduced surfaces and interfaces in V02 thin films as a unique case of prewetting,” Scripta Materialia, 78-79 (2014) 41-44.

X. Liu, D. Choi, H. Beladi, N.T. Nuhfer, G.S. Rohrer, and K. Barmak, "The five parameter grain boundary character distribution of nanocrystalline tungsten," Scripta Materialia 69 (2013) 413-416. DOI: 10.1016/j.scriptamat.2013.05.046

K.Tai, B. Huang, and S.J. Dillon, "Catalyzed oxidation for nanowiregrowth" Nanotech. 25 145603 (2014).

X. Yuan, K. Gao, G.S. Rohrer, X. Fang, "Grain boundary plane distributions in a hot rolled 5A06 aluminum alloy,"Advanced Engineering Materials, 16 (2014) 1105-1110.

X. Yuan, G.S. Rohrer, X. Song, H. Chien, J. Li, "Modeling the Interface Area Aspect Ratio of Carbide Grains in WC-Co Composites," International Journal of Refractory Metals and Hard Materials, 44 (2014) 7-11.

X. Yuan, G.S. Rohrer, X. Song, H. Chien, J. Li, C. Wei, “Effect of plastic deformation on the sigma 2 grain boundary plane distribution in WC-Co cemented carbides,” International Journal of Refractory Metals and Hard Materials, 47 (2014) 38-43.

N. Zhou and J. Luo. "Developing thermodynamic stability diagrams for equilibrium grain-size binary alloys," Materials Letters, 115 (2014) 268-271.

Y. Zhang and J. Luo, “Observation of an unusual case of triple-line instability,” Scripta Materialia 88, 45-48 (2014).

Publication Year 2013

H. Beladi and G.S. Rohrer, "The Distribution of Grain Boundary Planes in IF Steel,"Metallurgical and Materials Transactions A 44A (2013) 115-124. 

H. Beladi and G.S. Rohrer, "The Relative Grain Boundary Area and Energy Distributions in a Ferritic Steel Determined from Three Dimensional Electron Backscatter Diffraction Maps," Acta Materialia 61 (2013) 1404-1412. 

W. Cao, A. Kundu, Z. Yu, M.P. Harmer and R.P. Vinci, "Direct correlations between fracture toughness and grain boundary segregation behavior in ytterbium-doped magnesium aluminate spinel," ScriptaMaterialia 69 (2013) 81-84.

A.D. Darbal, K.J. Ganesh, X. Liu, S.-B. Lee, J. Ledonne, T. Sun, B. Yao, A.P. Warren, G.S.Rohrer, A.D. Rollett, P.J. Ferreira, K.R. Coffey, and K. Barmak, "Grain Boundary Character Distribution of Nanocrystalline Cu Thin Films Using Stereological Analysis of Transmission Electron Microscope Orientation Maps," Microsc. Microanal. 19 (2013), in press.  doi:10.1017/S1431927612014055

S. Curiotto, H. Chien, H. Meltzman, S. Labat, P. Wynblatt, G.S. Rohrer, W.D. Kaplan, D. Chatain, "Copper crystals on the (11-20) sapphire plane: orientation relationships, triple line ridges and interface shape equilibrium," Journal of Materials Science 48 (2013) 3012-3026.

R. M. Feenstra, N. Srivastave, Q. Gao, M. Widom, G. Diaconescu, T. Ohta, G. L. Kellogg, J. T. Robinson and I. V. Vlassiouk, "Low-energy electron reflectivity from graphene", Phys. Rev. B 87 (2013) 041406(R). Chosen as "Editor's Suggestion". Although the paper specifies graphene, the method is general (e.g. can be used for Bi on Ni).

R. M. Feenstra and M. Widom, "Low-energy electron reflectivity from Graphene: First-principles computations and approximate models," Ultramicroscopy 130 (2013) 101-108.

Q. Gao and M. Widom, "First-principles study of bismuth films on the Ni(111) surface", Phys. Rev. B 88 (2013) 155416 

A. Kundu, K. M. Asl, J. Luo,  and M.P. Harmer, “Identification of a Bilayer Grain Boundary Complexion in Bi-doped Cu," Scripta Materialia, Volume 68. Issue 2, January 2013, 146-149.

C.-Y. Lin, M. Widom and R.F. Sekerka, "Generalized Potentials for a Mean-field Density Functional Theory of a Three-Phase Contact Line", Phys. Rev. E 88 (2013) 012117 

X. Liu, D. Choi, H. Beladi, N.T. Nuhrer, G.S Rohrer, and K. Barmak, "The five parameter grain boundary character distribution of nanocrystalline tungsten, Scripta Materialia, 69 (2013) 413-416.

S. Ma, P.R. Cantwell, T.J. Pennycook, N. Zhou, M. P. Oxley, D.N. Leonard, S.J. Pennycook, J.Luo, M.P. Harmer, "Grain boundary complexion transitions in WO3- and CuO-doped TiO2 bicrystals," Acta Materialia, 61, 5 (2013) 1691-1704.

J.M. Rickman, H.M. Chan, M.P. Harmer, and J Luo. "Grain-boundary layering transitions in a model bicrystal," Surface Science, 618, (2013), 88-93.

N. Srivastava, Q. Gao, M. Widom, R. M. Feenstra, S. Nie, K. F. McCarty and I. V. Vlassiouk, "Low-energy electron reflectivity of graphene on copper and other substrates", Phys. Rev. B 87, 245414 (2013). (The method can be used for Bi-Ni and Bi-Cu).

K. Tai, L. Feng, and S.J. Dillon "Kinetics and thermodynamics associated with Bi adsorption transitions at Cu and Ni grain boundaries," J. Appl. Phys. 113 (2013) 193507.

K. Tai, and S.J. Dillon, "Scaling effects on Grain Boundary Diffusivity; Au in Cu,"  Acta Mater. 61 (2013) 1851-1861.

K. Tai,  A. Lawrence, M.P. Harmer and S.J. Dillon, "Misorientation Dependence of Al2O3 Grain Boundary Thermal Resistance", Appl. Phys. Lett, 102 (2013) 034101.

X. Yuan,  X. Song,  H. Chien, J. Li, G.S. Rohrer, "Effect of Densification Mechanism on the Sigma2 Grain Boundary Plane Distribution in WC-Co Composites," Materials Letters 92 (2013) 86–89. 

Z. Yu, X. Fu, J. Yuan, S. Lea, M.P.Harmer, J. Zhu, "Correlating growth habit of Boron-rich, low dimensional materials with defect structures by electron microscopy," Crystal Growth and Design, 13 (6),  (2013) 2269-2276. 

Z. Yu, Qian Wu, Jeffrey M. Rickman, Helen M. Chan, Martin P. Harmer, “Atomic - resolution observation of Hf-doped alumina grain boundaries,” Scripta Materialia, 68, 9 (2013) 703–706. 

Publication Year 2012 (11)

C.-Y. Lin, M. Widom, and R.F. Sekerka, "Mean-field density functional theory of a three-phase contact line", Phys. Rev. E 85 (2012) 014113 

S.A. Bojarski, J. Knighting, S. Ma, W. Lenthe, M.P. Harmer, G.S. Rohrer, The Relationship Between Grain Boundary Energy, Grain Boundary Complexion Transitions, and Grain Size in Ca-doped Yttria, Proceeding of the International Conference on Recrystallization and Grain Growth, 2012. Published Materials Science Forum, 753, 87-92 (2013)

S. Curiotto, H. Chien, H. Meltzman, P. Wynblatt, G.S. Rohrer, W.D Kaplan, D. Chatain, "Orientation Relationships of Copper Crystals on c-Plane Sapphire,"   Acta Materialia59, (2011), 5320-5331. DOI: 10.1016/j.actamat.2011.05.008 
 
C.-Y. Lin, M. Widom, and R.F. Sekerka, "Mean-field density functional theory of a three-phase contact line", Phys. Rev. E 85 (2012) 014113

J. Luo, “Developing Interfacial Phase Diagrams for Applications in Activated Sintering and Beyond: Current Status and Future Directions,” Journal of American Ceramic Society , 95 [8] 2358–2371 (2012).

J. Luo, H. Cheng, K. Meshinchi Asl, C..J. Kiely, and M. P. Harmer, "The role of a bilayer interfacial phase on liquid metal embrittlement." Science 333 (6050) (September 23, 2011): 1730-3.

 

The following publications are MURI related, but do not cite MURI support.

S.A. Bojarski, S. Ma, W. Lenthe, M.P. Harmer, and G.S. Rohrer, "Changes in the grain boundary character and energy distributions resulting from a complexion transition in Ca-doped Yttria," Metallurgical and Materials Transactions A 43A (2012) 3532-3538.

G.S. Rohrer, "Measuring and Interpreting the Structure of Grain Boundary Networks," Journal of the American Ceramic Society, 94 (2011) 633-646.

S.J. Dillon, M.P. Harmer, and G.S. Rohrer, "Influence of interface energies on solute partitioning mechanisms in doped aluminas," Acta Materialia, 58(2010) 5097-5108.

S. J. Dillon, M. P. Harmer, and G. S. Rohrer, "The Relative Energies of Normal and Abnormal Grain Boundaries Displaying Different Complexions,"Journal of the American Ceramic Society, 93 (2010) 1796-1802.