Publications

Madison, Jonathan D.; Rodgers, Theron R.; Mitchell, John A.; Lim, Hojun L.; Battaile, Corbett C.; Karlson, Kyle N.; Skulborstad, Alyssa J.; Salloum, Maher S.

Abstract not provided.

Specht, Paul E.; Silling, Stewart A.; Mitchell, John A.; Battaile, Corbett C.; Brown, Justin L.; Wise, Jack L.; Adams, David P.; Brown, Donald W.; Palmer, Todd A.; Michael, Joseph R.; Saavedra, Michael P.

Abstract not provided.

Specht, Paul E.; Adams, David P.; Silling, Stewart A.; Mitchell, John A.; Battaile, Corbett C.; Brown, Justin L.; Wise, Jack L.; Brown, Donald W.; Palmer, Todd A.; Michael, Joseph R.; Saavedra, Michael P.

Abstract not provided.

Specht, Paul E.; Wise, Jack L.; Brown, Justin L.; Furnish, Michael D.; Adams, David P.; Silling, Stewart A.; Battaile, Corbett C.; Palmer, Todd A.

Abstract not provided.

Foulk, James W.; Alleman, Coleman A.; Battaile, Corbett C.; Lim, Hojun L.; Littlewood, David J.; Mota, Alejandro M.

Abstract not provided.

Alleman, Coleman A.; Battaile, Corbett C.; Foulk, James W.; Lim, Hojun L.; Littlewood, David J.; Mota, Alejandro M.; Ostien, Jakob O.; Kalashnikova, Irina

Abstract not provided.

Alleman, Coleman A.; Battaile, Corbett C.; Foulk, James W.; Littlewood, David J.; Lim, Hojun L.; Mota, Alejandro M.; Ostien, Jakob O.; Kalashnikova, Irina

Abstract not provided.

JOM

Bishop, Joseph E.; Emery, John M.; Battaile, Corbett C.; Littlewood, David J.; Baines, Andrew J.

Two fundamental approximations in macroscale solid-mechanics modeling are (1) the assumption of scale separation in homogenization theory and (2) the use of a macroscopic plasticity material model that represents, in a mean sense, the multitude of inelastic processes occurring at the microscale. With the goal of quantifying the errors induced by these approximations on engineering quantities of interest, we perform a set of direct numerical simulations (DNS) in which polycrystalline microstructures are embedded throughout a macroscale structure. The largest simulations model over 50,000 grains. The microstructure is idealized using a randomly close-packed Voronoi tessellation in which each polyhedral Voronoi cell represents a grain. An face centered cubic crystal-plasticity model is used to model the mechanical response of each grain. The overall grain structure is equiaxed, and each grain is randomly oriented with no overall texture. The detailed results from the DNS simulations are compared to results obtained from conventional macroscale simulations that use homogeneous isotropic plasticity models. The macroscale plasticity models are calibrated using a representative volume element of the idealized microstructure. Ultimately, we envision that DNS modeling will be used to gain new insights into the mechanics of material deformation and failure.

Foulk, James W.; Alleman, Coleman A.; Battaile, Corbett C.; Lim, Hojun L.; Littlewood, David J.; Mota, Alejandro M.

Abstract not provided.

Battaile, Corbett C.; Mota, Alejandro M.; Lim, Hojun L.; Littlewood, David J.; Veilleux, Michael V.; Emery, John M.; Ostien, Jakob O.; Kalashnikova, Irina

Abstract not provided.

Jared, Bradley H.; Boyce, Brad B.; Battaile, Corbett C.; Lim, Hojun L.; Tran, Hy D.; Robbins, Joshua R.; Clark, Brett W.; Blacker, Ted D.

Abstract not provided.

Proceedings - ASPE 2015 Spring Topical Meeting: Achieving Precision Tolerances in Additive Manufacturing

Jared, Bradley H.; Boyce, Brad B.; Battaile, Corbett C.; Lim, Hojun L.; Tran, Hy D.; Robbins, Joshua R.; Clark, Brett W.; Blacker, Ted D.

Abstract not provided.

Plimpton, Steven J.; Battaile, Corbett C.; Chandross, M.; Holm, Elizabeth A.; Thompson, Aidan P.; Tikare, Veena T.; Webb, Edmund B.; Zhou, Xiaowang Z.

The kinetic Monte Carlo method and its variants are powerful tools for modeling materials at the mesoscale, meaning at length and time scales in between the atomic and continuum. We have completed a 3 year LDRD project with the goal of developing a parallel kinetic Monte Carlo capability and applying it to materials modeling problems of interest to Sandia. In this report we give an overview of the methods and algorithms developed, and describe our new open-source code called SPPARKS, for Stochastic Parallel PARticle Kinetic Simulator. We also highlight the development of several Monte Carlo models in SPPARKS for specific materials modeling applications, including grain growth, bubble formation, diffusion in nanoporous materials, defect formation in erbium hydrides, and surface growth and evolution.

Fang, H.E.; Miller, Samuel L.; Dugger, Michael T.; Prasad, Somuri V.; Reedy, Earl D.; Thompson, Aidan P.; Wong, Chungnin C.; Yang, Pin Y.; Battaile, Corbett C.; Battaile, Corbett C.; Benavides, Gilbert L.; Ensz, M.T.; Buchheit, Thomas E.; Chen, Er-Ping C.; Christenson, Todd R.; De Boer, Maarten P.

This report summarizes materials issues associated with advanced micromachines development at Sandia. The intent of this report is to provide a perspective on the scope of the issues and suggest future technical directions, with a focus on computational materials science. Materials issues in surface micromachining (SMM), Lithographic-Galvanoformung-Abformung (LIGA: lithography, electrodeposition, and molding), and meso-machining technologies were identified. Each individual issue was assessed in four categories: degree of basic understanding; amount of existing experimental data capability of existing models; and, based on the perspective of component developers, the importance of the issue to be resolved. Three broad requirements for micromachines emerged from this process. They are: (1) tribological behavior, including stiction, friction, wear, and the use of surface treatments to control these, (2) mechanical behavior at microscale, including elasticity, plasticity, and the effect of microstructural features on mechanical strength, and (3) degradation of tribological and mechanical properties in normal (including aging), abnormal and hostile environments. Resolving all the identified critical issues requires a significant cooperative and complementary effort between computational and experimental programs. The breadth of this work is greater than any single program is likely to support. This report should serve as a guide to plan micromachines development at Sandia.

Holm, Elizabeth A.; Wellman, Gerald W.; Battaile, Corbett C.; Buchheit, Thomas E.; Fang, H.E.; Rintoul, Mark D.; Glass, Sarah J.; Knorovsky, Gerald A.; Neilsen, Michael K.

Computational materials simulations have traditionally focused on individual phenomena: grain growth, crack propagation, plastic flow, etc. However, real materials behavior results from a complex interplay between phenomena. In this project, the authors explored methods for coupling mesoscale simulations of microstructural evolution and micromechanical response. In one case, massively parallel (MP) simulations for grain evolution and microcracking in alumina stronglink materials were dynamically coupled. In the other, codes for domain coarsening and plastic deformation in CuSi braze alloys were iteratively linked. this program provided the first comparison of two promising ways to integrate mesoscale computer codes. Coupled microstructural/micromechanical codes were applied to experimentally observed microstructures for the first time. In addition to the coupled codes, this project developed a suite of new computational capabilities (PARGRAIN, GLAD, OOF, MPM, polycrystal plasticity, front tracking). The problem of plasticity length scale in continuum calculations was recognized and a solution strategy was developed. The simulations were experimentally validated on stockpile materials.