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  • Dallas R. Trinkle | MatSE at the University of Illinois | start
    defects in materials and chemical effects on mechanical properties of advanced structural metals such as plasticity phase transformations and solidification Defects play a crucial role in material properties and predicting defect properties at atomic length scales is a challenging area of computational research Improving and controlling mechanical behavior of structural metals is key to improving energy efficiency through weight reduction automotive and aerospace or increasing operational temperatures turbines for aerospace and energy production We use atomistic methods electronic structure tight binding classical potentials coupled to larger length scale models continuum elasticity statistical mechanics to predict properties for real materials We also work with and build approximate atomistic models that are computationally faster than electronic structure to directly study longer length and time scales Finally we use and construct new techniques that extend the geometric limitations in electronic structure methods These techniques find application across all areas of materials science metals semiconductors ceramics and even polymers See current research projects and publications for more information about what we do You can also see the UIUC CSE Fall 2013 seminar Dislocations with first principles From defects to materials behavior in magnesium We have recently put our magnesium solute database online Also see

    Original URL path: http://dtrinkle.matse.illinois.edu/dokuwiki/doku.php (2014-10-03)
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  • Dallas R. Trinkle | MatSE at the University of Illinois | research
    MatSE faculty profile curriculum vitae Current research Computational materials science uses mathematical models of atoms and atomic interactions to predict material properties The main focus of our group is on structural materials which directly impacts energy efficiency by improving processing capabilities of lighter materials leading to weight reduction in automotive aerospace and naval transportation applications or improving high temperature properties for materials in energy production leading to increased operational temperatures for turbines in aerospace and reactors We study chemical effects on mechanical properties of materials such as plasticity and phase transformations as well as fundamental properties of defects in materials such as dislocations and interfaces Dislocations are key to understanding plastic deformation in metals We use a range of techniques such as density functional theory classical potentials and tight binding combined with new computational techniques that we re developing including lattice Green function based flexible boundary conditions density functional theory energy density and stochastic statistical methods finally we re able to make predictions about larger scale material properties with mathematical modeling We ve applied these methods to a variety of materials including Mechanical properties of magnesium alloys Titanium mechanical properties phase transformations and kinetics of oxygen Hydrogen in palladium at

    Original URL path: http://dtrinkle.matse.illinois.edu/dokuwiki/doku.php?id=research (2014-10-03)
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  • Dallas R. Trinkle | MatSE at the University of Illinois | teaching
    Bio sketch MatSE faculty profile curriculum vitae Courses Please see Compass for course material if you are enrolled Syllabi direct Compass links available for Spring 2014 MatSE 206 Mechanics for MatSE compass2g masteringengineering and piazza Fall 2013 MatSE 406 Thermal and Mechanical Behavior of Materials Spring 2013 MatSE 584 Point and Line Defects in Materials Spring 2012 MatSE 485 wiki moodle site Atomic Scale Simulations Fall 2011 MatSE 406 Thermal and Mechanical Behavior of Materials Spring 2011 MatSE 584 Point and Line Defects in Materials Fall 2010 MatSE 280 a Engineering Materials Spring 2010 MatSE 584 Point and Line Defects in Materials Fall 2009 MatSE 406 Thermal and Mechanical Behavior of Materials Spring 2009 MatSE 280 a Engineering Materials Fall 2008 MatSE 406 Thermal and Mechanical Behavior of Materials Spring 2008 MatSE 584 Point and Line Defects in Materials Fall 2007 MatSE 406 Thermal and Mechanical Behavior of Materials Fall 2006 MatSE 406 Thermal and Mechanical Behavior of Materials UIUC and MatSE Resources MatSE undergraduate program and Visiting Illinois MatSE graduate program Street Fighting Mathematics at MIT PDF textbook Grainger library class reserve list search Course information Online self service Transfer course information Academic calendars Registration deadlines Requesting course changes

    Original URL path: http://dtrinkle.matse.illinois.edu/dokuwiki/doku.php?id=teaching (2014-10-03)
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  • Dallas R. Trinkle | MatSE at the University of Illinois | publications
    R G Hennig S P Rudin R C Albers and J W Wilkins Phys Rev B 73 094123 2006 publication PDF doi preprint The Chemistry of Deformation How Solutes Soften Pure Metals D R Trinkle and C Woodward Science 310 issue 5754 1665 1667 2005 publication HTML PDF doi perspective Metallurgy in the Age of Silicon by D Chrzan University of California Berkeley and Lawrence Berkeley National Laboratory Science 310 issue 5754 1623 1624 2005 doi news item Metallurgists models predict alloy applications Chemistry World December 2005 Systematic pathway generation and sorting in martensitic transformations Titanium alpha to omega D R Trinkle D M Hatch H T Stokes R G Hennig and R C Albers Phys Rev B 72 014105 2005 publication PDF doi preprint Impurities block the alpha to omega martensitic transformation in Titanium R G Hennig D R Trinkle J Bouchet S G Srinivasan R C Albers and J W Wilkins Nature Materials 4 2 129 133 2005 publication PDF doi preprint A New Mechanism for the Alpha to Omega Martensitic Transformation in Pure Titanium D R Trinkle R G Hennig S G Srinivasan D M Hatch M D Jones H T Stokes R C Albers and J W Wilkins Phys Rev Lett 91 025701 2003 publication PDF doi preprint Shock Induced alpha omega Transition in Titanium C W Greeff D R Trinkle and R C Albers J Appl Phys 90 5 p 2221 2226 2001 publication PDF doi Bound States in Waveguides and Bent Quantum Wires J P Carini J T Londergan D P Murdock D Trinkle and C S Yung Phys Rev B 55 p 9842 9851 1997 publication PDF doi Proceedings etc Applying for computational time on NSF s TeraGrid The World s Largest Cyberinfrastructure Supporting Open Research K Thornton D R Trinkle and R G Hennig JOM 62 17 18 March 2010 publication PDF doi Hydrogen trapping in dislocations in palladium at low temperature Results from inelastic neutron scattering and advanced computations B J Heuser H Ju D R Trinkle T J Udovic Effects of Hydrogen on Materials 2008 International Hydrogen Conference 464 468 2009 Ab Initio Molecular Dynamics Simulations of Molten Ni Based Superalloys M Asta D R Trinkle C Woodward Proceedings of the 2007 High Performance Computing User s Group Conference IEEE Computing Society Los Alamitos CA 147 152 2007 Ab Initio Molecular Dynamics Simulations of Molten Ni Based Superalloys M Asta D R Trinkle C Woodward Proceedings of the 2006 High Performance Computing User s Group Conference IEEE Computing Society Los Alamitos CA 177 181 2007 Alpha Omega Transition in Ti Equation of State and Kinetics C W Greeff D R Trinkle and R C Albers AIP Conference Proceedings 620 1 p 225 228 2002 publication PDF doi Actinide Electronic Structure and Atomic Forces R C Albers S P Rudin D R Trinkle and M D Jones AIP Conference Proceedings 532 p 412 413 2000 publication PDF doi Invited Talks Beyond binaries solid solution strengthening and softening in magnesium Magnesium Workshop Madrid 2013 Madrid Spain May 21 24 2013 Stress induced anisotropic diffusion in alloys Complex Si solute flow near a dislocation core in Ni NIST Diffusion workshop Gaithersburg MD May 9 10 2013 Predicting strength and cross slip of magnesium alloys First principles solute distribution and deformation Annual Meeting of the Minerals Metals Materials Society Modeling and Experimental Validation of Multiscale Mechanical Behavior from Atomic Scale to Macro Scale symposium San Antonio TX Mar 4 Mar 7 2013 Solute diffusion to dislocations under irradiation Si in Ni Materials Science and Technology Meeting Materials Development for Nuclear Applications and Extreme Environments symposium Pittsburgh PA Oct 7 11 2012 From dislocation solute interactions and solute distribution to deformation in magnesium 9th International Conference on Magnesium Alloys and their Applications Vancouver BC Canada July 8 12 2012 Deformation in magnesium from first principles NIST Metallurgy Colloquium July 6 2012 Deformation in magnesium from first principles Materials Science and Engineering Colloquium Los Alamos National Laboratory June 19 2012 The Challenge of Multicomponent Systems Atomistics Thermodynamics and Kinetics NSF Workshop on Emerging Research Areas in the Science of Metals and Metallic Nanostructures Univ California Santa Barbara June 13 14 2012 Atomic scale modeling and data NIST Materials Genome Initiative Workshop on Building the Materials Innovation Infrastructure Data and Standards U S Department of Commerce Washington D C May 14 15 2012 Deformation in magnesium from first principles Annual Meeting of the Minerals Metals Materials Society Phase Transformations and Deformation in Magnesium Alloys symposium Orlando FL Mar 11 Mar 15 2012 First Principles Modeling of Dislocation Twin Boundary Interactions in Titanium International Conference on Plasticity Puerto Rico Jan 3 8 2012 Deformation in magnesium from first principles U S Army Research Laboratory speaker series on Integrated Computational Materials Engineering Aberdeen Proving Ground MD Nov 16 2011 First principles predictions of dislocation solute interactions Rare earths in magnesium MagNET Research Network Workshop Rare Earth Elements in Magnesium Alloys CANMET Facility Hamilton Ontario Nov 7 8 2011 Interactions of dislocations and twin boundaries in titanium with first principles Materials Science and Technology Meeting Deformation and Transitions at Grain Boundaries symposium Columbus OH Oct 16 20 2011 Dislocations with first principles From defects to material behavior in magnesium Materials Science and Engineering Colloquium Massachusetts Institute of Technology Oct 13 2011 First principles modeling of dislocations for magnesium alloys Keynote lecture NSF Workshop on Magnesium Science and Technology Arlington VA May 19 20 2011 Dislocations with first principles From defects to material behavior Materials Science and Engineering Colloquium Cornell University April 21 2011 Dislocations with first principles From defects to material behavior Materials Science and Engineering Colloquium Univ Michigan April 15 2011 Formation of hydrogen Cottrell atmosphere in palladium Theory and measurement from inelastic neutron scattering 2011 Annual Meeting of the Minerals Metals Materials Society Hydrogen Storage in Materials Theory and Experiment symposium San Diego CA Feb 27 Mar 3 2011 Predicting Mg strength from first principles Solid solution strengthening softening and cross slip Keynote lecture 2011 Annual Meeting of

    Original URL path: http://dtrinkle.matse.illinois.edu/dokuwiki/doku.php?id=publications (2014-10-03)
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  • Dallas R. Trinkle | MatSE at the University of Illinois | group
    Materials Science and Engineering Ravi Agarwal PhD student Materials Science and Engineering Anne Marie Tan PhD student Materials Science and Engineering Lucas Brown PhD student Materials Science and Engineering Hyojung Kim PhD student Materials Science and Engineering Dr Thomas Garnier Postdoctoral researcher Dr Michael Fellinger Postdoctoral researcher Dr Bora Lee Postdoctoral researcher Group Member Resources Collaborators Louis G Hector Jr General Motors Technical Center Richard Hennig Department of Materials Science and Engineering Cornell University Brent Heuser Nuclear Engineering University of Illinois Urbana Champaign Richard Martin Physics emeritus University of Illinois Urbana Champaign John Weaver Materials Science and Engineering University of Illinois Urbana Champaign John Wilkins Department of Physics The Ohio State University Gerard Wong Bioengineering University of California Los Angeles Christopher Woodward Metals Development Section Air Force Research Laboratory Jim Zuo Materials Science and Engineering University of Illinois Urbana Champaign Former group members Chanda Lowrance B S Materials Science and Engineering 2009 2010 Pandu Wisesa B S student Materials Science and Engineering 2011 2012 Arvind Srikanth B S student Materials Science and Engineering 2011 2013 Ah Young Song M S student Materials Science and Engineering 2011 2013 Dr Hadley Lawler Postdoctoral researcher 2009 2010 Vanderbilt Physics Dr Venkateswara Rao Manga

    Original URL path: http://dtrinkle.matse.illinois.edu/dokuwiki/doku.php?id=group (2014-10-03)
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  • Dallas R. Trinkle | MatSE at the University of Illinois | calendar
    and Engineering Office 308 Materials Science and Engineering Building Mail Address Department of Materials Science and Engineering 1304 W Green St Urbana IL 61801 Telephone 217 244 6519 Fax 217 333 2736 E mail dtrinkle illinois edu Bio sketch MatSE

    Original URL path: http://dtrinkle.matse.illinois.edu/dokuwiki/doku.php?id=calendar (2014-10-03)
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  • Dallas R. Trinkle | MatSE at the University of Illinois | resources
    of Methodological Choices in the Publication of Computational Results A Ab Initio Electronic Structure Calculations Pure Appl Chem 70 4 1015 1018 1998 pdf Scientific Computation notes at UIUC Materials Science Condensed Matter Theory Crystal lattice structures Bilbao Crystallographic Server and Point Group Theory NIST Physical reference data The NIST Reference on constants units and uncertainty Electronic Journals and References UIUC library UIUC indices and abstracts Scitation and Spin databases of the APS ISI web of science cit ref search Science Nature Nature Materials Physical Review Letters Physical Review B Reviews of Modern Physics Journal of Applied Physics New Journal of Physics Journal of Physics Condensed Matter Acta Materialia Scripta Materialia Progress in Materials Science Philosophical Magazine Philosophical Magazine Letters Materials Science and Engineering A Materials Science and Engineering B Journal of the Mechanics and Physics of Solids Materials Letters Journal of Alloys and Compounds Journal of Nuclear Materials Computational Materials Science Modelling and Simulation in Materials Science and Engineering Condensed Matter Preprint Archive cond mat Materials Science recent cond mat mtrl sci Journal abbreviations Computing Computational science Error why scientific programming does not compute Zeeya Merali Nature 467 775 777 2010 doi PDF Supercomputer centers NERSC NCSA TeraGrid AFRL MSRC OSC Turing state LaPack at NetLib org GNU Scientific Library GSL including the online manual SourceForge net Fig 3 2 format Asymptote XML Windowing Toolkit and Libtool documentation CLISP LISP source code LISP style LISP FAQ Common LISP repository at CMU Common Lisp Hyperspec Peter Norvig Dokuwiki syntax Version control TWiki CVS SVN SVN book Style guidelines and GNU Coding Standards High Performance Computing for Mac OS X Training courses NCSA WebCT LaTeX guide Web Formatting Intro to HTML HTML Code Tutorial All about Search Engine Robots Javascript Tutorial and Reference Javascript quick reference Introduction to Server Side Includes

    Original URL path: http://dtrinkle.matse.illinois.edu/dokuwiki/doku.php?id=resources (2014-10-03)
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  • titanium-oxygen-diffusion.gif [MatSE at the University of Illinois]
    titanium oxygen diffusion gif titanium oxygen diffusion gif Back to start Date 2011 04 01 09 46 Filename titanium oxygen diffusion gif Format GIF Size 208KB

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