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AEROSPACE MATERIALS                                                                                     FOR EXTREME       ...
2012 AFOSR SPRING REVIEWNAME: AEROSPACE MATERIALS FOR EXTREME ENVIRONMENTSBRIEF DESCRIPTION OF PORTFOLIO:To provide the fu...
OUTLINEI.   Physics and chemistry of materials in highly stressed     environments.II. Theoretical and/or computational to...
High Temperature Phase Transformations in            Oxide Ceramics                                              W. Kriven...
RNbO4 Phase Transformations                                                                   W. Kriven / UIUC            ...
Plasticity in Extreme Environment:                                                  Tantalum and Monazite                 ...
OUTLINEI.   Physics and chemistry of materials in highly stressed     environments.II. Theoretical and/or computational to...
National Hypersonic Science Center for                               Materials and Structures                          Tel...
Some Target Microstructures         D. Marshall & B. Cox (Teledyne) / Zok (UCSB) & R. McKeeing & M. Begley/ Q. Yang (U. Mi...
Synchrotron Imaging of Structure and Damage                                 R. Ritchie (UC Berkeley) / National Hypersonic...
Pipeline Exercise (3D)                         R. Ritchie (UC Berkeley) / B. Cox (Teledyne) / Zok (UCSB) / Yang (U.       ...
Disordered Structures                   P. Kroll (U. Texas) / National Hypersonic Science CenterAmorphous Ceramics• grain ...
Structure Models : Hf-Si-C-O        P. Kroll (U. Texas) / National Hypersonic Science Center                              ...
Laser Diagnostics: Property Gradients                                                D. Fletcher / U. VermontObjective: Tr...
Biasing Reactions of Mo-Si-B-Alloys                           D. Fletcher (U. Vermont) / J. Prepezko (U. Wisconsin) /     ...
Electroplating Rhenium and its Alloys                                                       S.R. Taylor / U. Texas Health ...
OUTLINEI.   Physics and chemistry of materials in highly stressed     environments.II. Theoretical and/or computational to...
Informatics and Combinatorial Based Discovery                                                                          K. ...
High Temperature Combinatorial Nano-                                      Calorimetry for Materials Discovery             ...
OUTLINEI.   Physics and chemistry of materials in highly stressed     environments.II. Theoretical and/or computational to...
CHALLENGE I: PROCESSING SCIENCE                 Electromagnetic Excitation is a Means to Change Materials PropertiesOLD:• ...
CHALLENGE II:           Understanding of Non-Equilibrium Structures at different Length Scales                            ...
CHALLENGE II:                                  Quantitative Descriptors for the InterfaceTwo Questions:                   ...
CHALLENGE III:                                                                                            Materials Far Fr...
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Sayir - Aerospace Materials for Extreme Environments - Spring Reivew 2012

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Dr. Ali Sayir presents an overview of his program - Aerospace Materials for Extreme Environments - at the AFOSR 2012 Spring Review.

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Sayir - Aerospace Materials for Extreme Environments - Spring Reivew 2012

  1. 1. AEROSPACE MATERIALS FOR EXTREME ENVIRONMENTS 8 MAR 2012 Dr. Ali Sayir Program Manager AFOSR/RSA Integrity  Service  Excellence Air Force Research Laboratory9 March 2012 DISTRIBUTION A: Approved for public release; distribution is unlimited. 1
  2. 2. 2012 AFOSR SPRING REVIEWNAME: AEROSPACE MATERIALS FOR EXTREME ENVIRONMENTSBRIEF DESCRIPTION OF PORTFOLIO:To provide the fundamental knowledge required to enable revolutionaryadvances in future Air Force technologies through the discovery andcharacterization of materials that can withstand extreme environments(combined loads of mechanical-, thermal-, and other electromagnetic fields).LIST SUB-AREAS IN PORTFOLIO:• Theoretical and computational tools that aid in the discovery of new materials. • Ceramics • Metals • Hybrids (including composites)• Mathematics to quantify the microstructure.• Physics and chemistry of materials in highly stressed environments• Experimental and computational tools to address the complexity of combined external fields at extreme environments. DISTRIBUTION A: Approved for public release; distribution is unlimited. 2
  3. 3. OUTLINEI. Physics and chemistry of materials in highly stressed environments.II. Theoretical and/or computational tools that aid in the discovery of new materials for hypersonic application.III. Informatics and combinatorial based materials discoveryIV. Challenges, Motivations and New initiatives. DISTRIBUTION A: Approved for public release; distribution is unlimited. 3
  4. 4. High Temperature Phase Transformations in Oxide Ceramics W. Kriven / UIUC DISTRIBUTION A: Approved for public release; distribution is unlimited. 4
  5. 5. RNbO4 Phase Transformations W. Kriven / UIUC Z To study the ferroelastic phase transformation in bM cT select rare-earth niobates (Y, La, and Dy) using in- situ methods for possible applications in shape memory ceramics I. Monoclinic-to-tetragonal phase transformation in bT aM LaNbO4, YNbO4 and DyNbO4 is second order Y cM M II. Transformation temperatures: aT Monoclinic Tetragonal – LaNbO4 = 503º ± 18ºC X – YNbO4 = 867º ± 16ºCThis is a second order – DyNbO4 = 875º ± 2ºC.transformation having alattice correspondence on I. Room temperature spontaneous strain (es)transformation – LaNbO4 = 6.84% am ↔ bt – YNbO4 = 6.33% bm ↔ ct – DyNbO4 = 6.48% cm ↔ at DISTRIBUTION A: Approved for public release; distribution is unlimited. 5
  6. 6. Plasticity in Extreme Environment: Tantalum and Monazite J. W. Kysar / Columbia UniversityObjective• High spatial resolution Accomplishments Relevance experimental measurements of • Multiscale experimental perspective of • Will serve to inform and to state variables that govern plastic deformation validates physics-based evolution of elastic-plastic • Measurement of dislocation cell constitutive models deformation at high temperatures structures with SEM rather than a TEM Technology Transition • Measured distribution and evolution of • Research collaborationsTechnical Approach characteristic length scales of plastic – Lawrence Livermore National deformation LaboratoryTwo-dimensional indentation – Brent Adams (BYU) Multiscale Measured Dislocation Monazite– Metals (Ni, Ta) & Ceramics (monazite) Crystal Measurement of Lattice Cell Structure with SW.– Net Burgers Vector Density Growth Rotation– Nye dislocation tensor components– Lower bound on Geometrically Necessary Dislocation (GND) densityMulti-scale experiments 3 mm– Spatial resolutions of 3 mm, 500 nm and 50 Cell size vs. GNDs Monazite nm in overlapping regions Micro-pillarMulti-scale models Tests– Evolution of crystalline defects across length scalesDistribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminaryinformation from premature dissemination. Other requests for this document shall be referred to AFOSR/PI. DISTRIBUTION A: Approved for public release; distribution is unlimited. 6
  7. 7. OUTLINEI. Physics and chemistry of materials in highly stressed environments.II. Theoretical and/or computational tools that aid in the discovery of new materials for hypersonic application.III. Informatics and combinatorial based materials discoveryIV. Challenges, Motivations and New initiatives. DISTRIBUTION A: Approved for public release; distribution is unlimited. 7
  8. 8. National Hypersonic Science Center for Materials and Structures Teledyne Scientific D. Marshall (materials & structures)B. Cox (mechanics of materials) UC Santa BarbaraMissouri University new materials & F. Zok (structural materials) processing scienceW. Fahrenholtz &G. Hilmas R. McMeeking (mechanics)(UHTCs) new experimental methods M. Begley (mechanics) multi-scale models UC Berkeley/ALS Combine experiments and U. of Colorado multi-scale models into a R. Ritchie (mechanics, imaging) R. Raj (high temp. virtual test system U. of Miami materials & Q. Yang (mechanics) properties) U. of Texas Other collaborations Collaborations, test and von Karman Institute, advisory support P. Kroll J. Marschall, SRI, U. Vermont AFRL/WPAFB (M. Cinibulk) (atomistics) Gerhard Dehm, Leoben, Austria NASA, Boeing, ATK, Lockheed-Martin International affiliate M. Spearing,Univ. Southampton University of Canterbury Stepan Lomov, Kath. Univ. Leuven (S. Krumdieck) Loughborough Univ. (UK) M. Smart Univ. Queensland DISTRIBUTION A: Approved for public release; distribution is unlimited. 8
  9. 9. Some Target Microstructures D. Marshall & B. Cox (Teledyne) / Zok (UCSB) & R. McKeeing & M. Begley/ Q. Yang (U. Miami) / W. Fahrenholtz &G. Hilmas (UMR) / R. Raj (U. Colorado) / R. Ritchie (UC Berkeley) / P. Kroll (U. Texas) National Hypersonic Science Center 1 mm 10 mm HfO2 0.1 mm Hf-PDC GB phase reinfiltrated Hf-PDC in shrinkage crack rigid scaffold1 mm Multilayer HfO2/PDC CVD SiC fiber tow HfO2 HfO2 rigid network of Hf-PDC large particles DISTRIBUTION A: Approved for public release; distribution is unlimited. 9
  10. 10. Synchrotron Imaging of Structure and Damage R. Ritchie (UC Berkeley) / National Hypersonic Science Center Compound visualization of statistical parameters Tow cross sectional area mm 5 3-D microstructural Input to constitutive law characterization & calibration in virtual test geometry generator High temperature in situ stage (1500 oC) Resolution < 1mm SiC-SiC composite: RT in situ loading motor and gearbox to load cell and water cooling crack Lamp Lamp guideway dog-bone dog- X-rays sample load cell 360 deg thin window Lamp 0.25 mm Al Lamp furnace water section Lamp cooling with X-rays active cooling 2D tomographic slices with no load 8 octopole 1000W IR lamps water cooling and sample Octopole IR lamp mount access arrangement LBNL design : J.Nasiatka, A.MacDowell J.Nasiatka,Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminaryinformation from premature dissemination. Other requests for this documentrelease; distribution AFOSR/PI. DISTRIBUTION A: Approved for public shall be referred to is unlimited. 10
  11. 11. Pipeline Exercise (3D) R. Ritchie (UC Berkeley) / B. Cox (Teledyne) / Zok (UCSB) / Yang (U. Miami) / D. Marshall (Teledyne) / National Hypersonic Science Center mCT data from UC-Berkeley - Ritchie Validation from Measured surface strain (UCSB – Zok) 3D geometric model (UCSB & Teledyne)2D cross-section data (UCSB & Teledyne) 0.025 0.02 Simulated surface strain 0.015 (UM – Yang) 0.01 0.005 0 0 1 2 3 4 5 6 7 8 9 10 3D FEM -0.005Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminary DISTRIBUTION A: Approved for public release; distribution is unlimited.information from premature dissemination. Other requests for this document shall be referred to AFOSR/PI. 11
  12. 12. Disordered Structures P. Kroll (U. Texas) / National Hypersonic Science CenterAmorphous Ceramics• grain boundary phases (Hf/Zr-Si-C-O)• models for melts (W-Si-B-O)• synthesized “hierarchical” materials (PDC or CVD) T Hf-Si-C-N-O Si-C-O with “free” C 5000 • network approach (modified WWW algorithm) • melt-quench • DFT, ab initio molecular dynamics (VASP-code) 4000 • both approaches augmented with repeated annealing to achieve low- energy structures 3000 2000 1000 30 ps 60 ps 90 ps 120 ps time DISTRIBUTION A: Approved for public release; distribution is unlimited. 12
  13. 13. Structure Models : Hf-Si-C-O P. Kroll (U. Texas) / National Hypersonic Science Center Example: Hf-Si-C-O : 20 HfO2 + 15 SiO2 + 5 SiC + 5 C or 15 HfSiO4 + 5 HfO2 + 5 SiC + 5 C SiCO glass, Si52C12O80, 25mol%SiC • DE in SiCO larger than DE in SiO2 • Barrier 1 – 3 eVSi-C substructure Diffusion of O2 in SiCO glass is smaller (sideview) than in SiO2 (if void structure is similar ) DISTRIBUTION A: Approved for public release; distribution is unlimited. 13
  14. 14. Laser Diagnostics: Property Gradients D. Fletcher / U. VermontObjective: Translate collection optics and beamto measure temperature and species distributions Flow Gas Phase Boundary T(x) ni(x) Interface Collection optics are f/4 – and aperture is ~ 1mm for 30 kW ICP •Pulse energy ≤ 0.25 mJ with a 0.5 mm beam diameter to avoid complications such as multi-photon ionization DISTRIBUTION A: Approved for public release; distribution is unlimited. 14
  15. 15. Biasing Reactions of Mo-Si-B-Alloys D. Fletcher (U. Vermont) / J. Prepezko (U. Wisconsin) / M. Akinc (u. Iowa) / J. Marshall (SRI Int.)Computational estimates of Use computational results, SEM of a Mo60W15Si25 two phasecritical content – feasibility basic thermodynamics and alloy (Mo,W) ss and (Mo,W)5Si3.assessment and define experimental results forexperimental window. analyzing the system.(Models used – An extended Miedema (Density of states calculations frommodel (semi-empirical thermodynamics) VASP, interface enthalpy values fromand ab-initio calculations using VASP, Miedema for understanding stabilitywith GGA potentials ) and partitioning) MoB Mo2B TEMPERATURE, °C 1700 1500 T2 1300 1100 INTENSITY, BO2  = 518.8 nm a.u. BO  = 404.1 nm BCC A15 T1 RAW SIGNAL, a.u. B  = 249.9 nm 0 50 100 150 200 250 TEST TIME, s DISTRIBUTION A: Approved for public release; distribution is unlimited. 15
  16. 16. Electroplating Rhenium and its Alloys S.R. Taylor / U. Texas Health Science & N. Eliaz / Tel Aviv University, ISRAELObjective: An (a) aqueous, non-toxic 100 µm•Understand the mechanism that governs the method for electroplating electrodeposition of Re and its alloys. Re-Me coatings ReO4- Me2+ Me2+ 2e- ReO3- Me0 Me0 Re0 (a) 100 µm (b) 100 µmCu Cusubstrate substrate Ni0M + ReO4- + 2H+ Ni2+M + ReO3- + H2O Ni2+ + 2 e-M Ni0M ReO3- + 5e-M + 3H2O Re0M + 6(OH)-Calculations (NSF): (a) 100 µm (b) 100 µm (c) 100 µm• Binding Energies: Ni-Cu and Re-Cu• Transition State (Potential Barrier)• Reduction Potential (Ni(II) & Re(VII)) vs Ag/AgCl) Re-Fe Re-Co Re-Ni Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminary• information fromNi-Cu and Re-Cu requests for this documentrelease; distribution AFOSR/PI. Entropy: premature dissemination. Other A: Approved for public shall be referred to is unlimited. DISTRIBUTION 16
  17. 17. OUTLINEI. Physics and chemistry of materials in highly stressed environments.II. Theoretical and/or computational tools that aid in the discovery of new materials for hypersonic application.III. Informatics and combinatorial based materials discoveryIV. Challenges, Motivations and New initiatives. DISTRIBUTION A: Approved for public release; distribution is unlimited. 17
  18. 18. Informatics and Combinatorial Based Discovery K. Rajan / U. Iowa Ranking and Data Mining identification of key High-dimensional descriptor space Statistical Learning factors that govern 48 potential TC descriptors Property Six key factors affecting TC of Ionic Size Dielectric loss BiMeO3-PbTiO3 ferroelectrics Polarizability TC Tetragonality PS ❖Ionic size Bond covalency d33 ❖Pseudopotential radiiIonic displacement PCA ❖Bond length Rough sets ❖Pauling Crystal ❖electronegativity Structure ❖Polarizing power Crystal Chemistry ❖Mendeleev number We started with 48 descriptors and down-selected them to 6 DISTRIBUTION A: Approved for public release; distribution is unlimited. 18
  19. 19. High Temperature Combinatorial Nano- Calorimetry for Materials Discovery J. Vlassak / Harvard U.Nano-calorimeter array Cooling rate (K/s)Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminaryinformation from premature dissemination. Other requests for this documentrelease; distribution AFOSR/PI. DISTRIBUTION A: Approved for public shall be referred to is unlimited. 19
  20. 20. OUTLINEI. Physics and chemistry of materials in highly stressed environments.II. Theoretical and/or computational tools that aid in the discovery of new materials for hypersonic application.III. Informatics and combinatorial based materials discoveryIV. Challenges, Motivations and New initiatives. DISTRIBUTION A: Approved for public release; distribution is unlimited. 20
  21. 21. CHALLENGE I: PROCESSING SCIENCE Electromagnetic Excitation is a Means to Change Materials PropertiesOLD:• Photography is over 150 years old• Photochromics are on stage several decades• Photolithography, electron lithography, and ablation are standard tools.• Photosynthesis is nearly as old as life.NEW:Ability to increase materials excitation ina controlled way (i.e., lasers and other EM).CHALLENGES: (Conceptual framework between experiments and theory)I. Energy localization (ionic or electronic); Electronic excited states (Non- Equilibrium).II. Charge Localization (It does guide the energy localization): femtosecond to years.III. The link between microscopic (atomistic) and mesoscopic (microstructural) scales. Energy transfer (i.e., displacements do not need to occur at the site originally excited; Photosynthesis - NOT FULLY UNDERSTOOD).IV. Energy storage (energy sinks can delay damage and the process characteristics).V. Charge transfer and space for public release; distribution is unlimited. charge. DISTRIBUTION A: Approved 21
  22. 22. CHALLENGE II: Understanding of Non-Equilibrium Structures at different Length Scales J. Luo / Clemson U.Design: GB Phase Diagrams • Fabrication protocols utilizing Discrete Thickness appropriate GB structures to achieve optimal microstructures 1 nm 1 nm • Co-doping strategies and/or heat treatment recipes to tune the GB structures for desired performance Ni-Bi Ni-Bi Luo, Cheng, Asl, Kiely & Harmer, Science 333: 1730 (2011) Nanometer “Equilibrium” Thickness 2 nm 2 nm W-Ni Mo-Ni Luo, Cheng, Asl, &, Kiely, In Preparation (2012) DISTRIBUTION A: Approved for public release; distribution is unlimited. 22
  23. 23. CHALLENGE II: Quantitative Descriptors for the InterfaceTwo Questions: AFOSR MURI 20121) Finite Atomic Size? (Drs. F. Fahroo and A. Sayir):2) A Series of Discrete Grain Boundary Phases? Information Complexity in Predictive Material ScienceONR MURI 2011 (Dr. Dave Shifler): • Structure descriptionAtomic-Scale Interphase: Exploring New Material States • Uncertainty quantification • Cross-Entropy minimization • Info complexity Management • Machine learning Definition of local state ?: •Composition / activity •Lattice orientation •External field coupling •Energy DISTRIBUTION A: Approved for public release; distribution is unlimited. 23
  24. 24. CHALLENGE III: Materials Far From Equilibrium Unsolved Problem I: Unsolved Problem II: Surface temperature history Instability and 3D Erosion The von Karman Institute 1.2 MW Plasmatron Ions, Neutral Gas, Plasma Electrons, and Radiation Induct. heat: 1.2 MW (max) Enthalpy: 10 – 50 MJ kg-1 (for air) Ma range: < 0.3 qstag: 10 – 300 W cm-2 Pstag : 0.05 – 0.15 atm Wall ZrB2-30vol%SiC-4mol%WC Ions, Neutral Gas, Plasma 2600 De Gris et al., 2010 Electrons, Secondary Electrons, 2800 3.3 Spontaneous 3.5 Temperature 2400 Wall Material, and Radiation 2600 Jump SURFACE TEMPERATURE, °C 3.9SURFACE TEMPERATURE, K 3.4 ~470 K 2200 2400 3.2 2200 Plasmatron Power Increase 2000 Conductive Heat Loss Dqcw= 40-80 W/cm 2 1800 Sheath formation affects both the plasma and the wall 2000 1600 I) Ions strikes: • Sputter wall material and ejects species into plasma 1800 2 qcw=75-85 W/cm 1400 1600 1200 • Neutralization pulls electrons from the wall 1400 Mass flow: 16 g/s Pchamber: 10 kPa • SEE that cools the plasma & deposit plasma energy into wall 1000 1200 0 60 120 180 240 300 360 420 480 540 600 660 II) Electrons strikes: TEST TIME, s • SEE and deposit energy J. Marshall / SRI • Impact atomic structure of wall 470 K Temperature Jump ! Wall’s Contribution must be considered ! AFOSR BRI 2011: Materials far from Equilibrium (Drs. M. Birkan, J. Luginsland, and A. Sayir) DISTRIBUTION A: Approved for public release; distribution is unlimited. 24
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