1DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution15 February 2013
Integrity  Service  Excellence
Dr. Ali ...
2DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
2013 AFOSR SPRING REVIEW
NAME: AEROSPACE MATERIALS FOR EX...
3DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
OUTLINE
I. Predictive Materials Science
Bulk Metallic Gla...
4DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
“The Dream:”
Computational Material Design
Pick a set of ...
5DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Ab-Initio Calculations
Ab Initio
Code
Hy = Ey
Input:
H O
...
6DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Calculating Glass-Forming Ability
Tm
Tg
Good packing
dens...
7DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Interatomic Potentials
0.0%
2.0%
4.0%
6.0%
8.0%
35.0 45.0...
8DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Metallic glass electrode- A closer
look
A. Taylor (YALE)
9DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
OUTLINE
I. Predictive Materials Science
Bulk Metallic Gla...
10DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Direct MD prediction compared to fracture and
dislocatio...
11DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Orientation Relationship of TaC and Ta4C3 phase
(1,-1,1)...
12DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
1
1
2
2
5μm
1
5μ
m
1
4μm
2
2μm
2
5μm
2• Deviation from l...
13DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
OUTLINE
I. Predictive Materials Science
Bulk Metallic Gl...
14DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
www.nhsc-ms.org
National Hypersonic Science Center
• Hig...
15DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
3-D Microstructural Characterization and
Geometry Genera...
16DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution127 N, 25 oC
In-situ testing SiCf/SiCm at 25˚C
Load Exten...
17DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Comparison of Simulation and
in-situ Tomography
In situ ...
18DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
OUTLINE
I. Predictive Materials Science
Bulk Metallic Gl...
19DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Materials Far from Equilibrium:
Micro-Architectured Surf...
20DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
[360 (MJ/m2),0.2 (MW/m2)]
Hole formation
[641(MJ/m2),0.2...
21DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Atomistic Simulations of Surface Defects in W
under Plas...
22DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Vacancy Production in Surface Layers Leads to
Surface In...
23DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
OUTLINE
I. Predictive Materials Science
Bulk Metallic Gl...
24DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Spatially resolved
measurement location
N + N + [s] → [s...
25DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
•Relative N atom concentration measurements for quartz a...
26DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
OUTLINE
I. Predictive Materials Science
Bulk Metallic Gl...
27DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
Si
SiO2
SrTiO3
TiO2
Protective Ir
Interfacial dielectric...
28DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution
SUMMARY
I. Predictive Materials Science
Bulk Metallic Gl...
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Sayir - Aerospace Materials for Extreme Environments - Spring Review 2013

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Dr. Ali Sayir presents an overview of his program, Aerospace Materials for Extreme Environments, at the AFOSR 2013 Spring Review. At this review, Program Officers from AFOSR Technical Divisions will present briefings that highlight basic research programs beneficial to the Air Force.

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Sayir - Aerospace Materials for Extreme Environments - Spring Review 2013

  1. 1. 1DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution15 February 2013 Integrity  Service  Excellence Dr. Ali Sayir Program Officer AFOSR/RTD Air Force Research Laboratory AEROSPACE MATERIALS FOR EXTREME ENVIRONMENTS Date: 7 March 2013
  2. 2. 2DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution 2013 AFOSR SPRING REVIEW NAME: AEROSPACE MATERIALS FOR EXTREME ENVIRONMENTS BRIEF DESCRIPTION OF PORTFOLIO: To provide the fundamental knowledge required to enable revolutionary advances in future Air Force technologies through the discovery and characterization of materials that can withstand extreme environments. 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 to Predictive materials Science • Physics and chemistry of materials in highly stressed environments • Experimental and computational tools to address the complexity of combined external fields at extreme environments.
  3. 3. 3DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution OUTLINE I. Predictive Materials Science Bulk Metallic Glasses Carbides (SiC, TaC, Ta4C) Textile Based Hybrid Composite II. Materials Far from Equilibrium Micro-Architectured Surfaces Surface Catalysis at Extreme Environment III. Challenges, Motivations and New initiatives.
  4. 4. 4DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution “The Dream:” Computational Material Design Pick a set of structures & compositions Calculate their properties Improve structure/composition Experimental fabrication & testing “Optimal?” No Yes Computer Lab or Fab W. Windl (OSU), K. Flores (WASHINGTON U. ), D. Hoffmann (CALTECH), E. Marquis (U. MICHIGAN
  5. 5. 5DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Ab-Initio Calculations Ab Initio Code Hy = Ey Input: H O H Output: H O H Structure, Energy ~5 Å Theor. Expt. (scaled) (a) (b) (c) (d) (e) Band structure EELS spectra Kinetic parameters Thermal properties Mechanical prop’s W. Windl (OSU), K. Flores (WASHINGTON U. ), D. Hoffmann (CALTECH), E. Marquis (U. MICHIGAN
  6. 6. 6DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Calculating Glass-Forming Ability Tm Tg Good packing density No crystalline symmetry (5-fold) Stabilize liquid; don’t lead to crystal nuclei Frank, F. C. (1952). Liquid Crystal Crystallization inhibitors: 1. Driving Force: Icosahedra 2. Kinetics: Viscosity (fragility) Direct Measurement: Critical Cooling Rate –Not computationally feasible –Real time: 1 ms –20 CPUs: 200 Years critical cooling rate W. Windl (OSU), K. Flores (WASHINGTON U. ), D. Hoffmann (CALTECH), E. Marquis (U. MICHIGAN
  7. 7. 7DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Interatomic Potentials 0.0% 2.0% 4.0% 6.0% 8.0% 35.0 45.0 55.0 Zr [at%] Icosahedron Fraction • Chosen Method: Green-Kubo  =  t B t dstPstP Tk V 0 00 )()(lim  Zr Al Ni Glassy & Ductile! atomistics.osu.edu 6.8254.66 ZrNiAl Glass Formable regions Ward, Agrawal, Flores, Windl (to be published) W. Windl (OSU), K. Flores (WASHINGTON U. ), D. Hoffmann (CALTECH), E. Marquis (U. MICHIGAN
  8. 8. 8DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Metallic glass electrode- A closer look A. Taylor (YALE)
  9. 9. 9DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution OUTLINE I. Predictive Materials Science Bulk Metallic Glasses Carbides (SiC, TaC, Ta4C) Textile Based Hybrid Composite II. Materials Far from Equilibrium Micro-Architectured Surfaces Surface Catalysis at Extreme Environment III. Challenges, Motivations and New initiatives.
  10. 10. 10DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Direct MD prediction compared to fracture and dislocation nucleation models for SiC 2/15/2013 10 Fracture on 111 shuffle plane Dislocation on 111glide plane 211 111 Fracturing After fracture 211 111 Devanathan potential 211 111 211 111 dislocation nucleating After dislocation nucleates Erhart potential Devanathan potential activation energy vs temperature 0 0.2 0.4 0.6 0.8 1 1.2 1.4 0 200 400 600 800 Temperature (K) Energyreleaserate(E/Gb) 111 surface energy Erhart potential activation energy vs temperature 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 0 200 400 600 800 Temperature (K) Energyreleaserate(E/Gb) 111 surface energy • Activation energy predicted by the continuum model • Elastic constants(T) + surface energies(T) + unstable stacking fault energies(T) + 3 0 3 ln( )D B DB I I Q k TN dQk T K dK  =  D. Warner (CORNELL U.)
  11. 11. 11DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Orientation Relationship of TaC and Ta4C3 phase (1,-1,1) 70o <110> TaC <110> (1,1,-1) <111> 500 nm 70o TaC FCC-like structure yields FOUR {111} variants – leads to equivalent precipitation habit planes for Ta4C3 -criss-cross pattern morphology of laths {111} planes Loss of C on {111} plane to yield Ta4C3 G. Thompson (U. ALABAMA)
  12. 12. 12DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution 1 1 2 2 5μm 1 5μ m 1 4μm 2 2μm 2 5μm 2• Deviation from linearity • Pop-in or displacement bursts, buckling, cracking • Max CRSS on {111} planes • Plastic flow due to formation of slip bands • Shearing and cracking rather than catastrophic fracture specially in 6μm pillars Unsolved Problem: Scale Effect ZrC(001) S. Kodambaka (UCLA)
  13. 13. 13DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution OUTLINE I. Predictive Materials Science Bulk Metallic Glasses Carbides (SiC, TaC, Ta4C) Textile Based Hybrid Composite II. Materials Far from Equilibrium Micro-Architectured Surfaces Surface Catalysis at Extreme Environment III. Challenges, Motivations and New initiatives.
  14. 14. 14DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution www.nhsc-ms.org National Hypersonic Science Center • Highly integrated research program: graduate students & post docs • 35 journal publications; 23 plenary/keynote presentations at international conferences (including Mueller award lecture at ICACC'12, 4 lectures at 2012 Ceramics Gordon Conference); 12 conference proceedings; 25 other conference papers • Active collaborations with 10 universities. • Sharing of data & modeling with AFRL, Army, NASA, Rolls Royce • Organized International Summer School on Materials for Hypersonics, UCSB, Aug. 2011. Organized International workshop on high-temperature ceramic composites, Boulder CO June 12-15 2012; www.engineceramics.org D. Marshall, B. Cox (TELEDYNE), F. Zok (UC SB), B. Fahrenholtz (MST), P. Kroll (UT AUSTIN), Q. YANG (U. MIAMI), R. RITCHIE (UC BERKELEY)
  15. 15. 15DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution 3-D Microstructural Characterization and Geometry Generator Compound visualization of statistical parameters 5mm Compound visualization of statistical parameters 5mm Tow cross sectional area 3-D image of C-SiC composite computational mesh from geometric modelanalogue of Markov chain method for tow axis coordinates  stochastic irregular elliptical cylinder for each tow problem: interpenetration solution: enforce known topology of textile Statistical description of geometry Tow paths Cross-sectional areas Orientation of cross section Deviations from mean Correlation lengths create replicas of textile reinforcement with same statistics as those measured D. Marshall, B. Cox (TELEDYNE), F. Zok (UC SB), Q. YANG (U. MIAMI), R. RITCHIE (UC BERKELEY)
  16. 16. 16DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution127 N, 25 oC In-situ testing SiCf/SiCm at 25˚C Load Extension Curve (Single tow 1750˚C) 0 20 40 60 80 100 120 140 160 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 Extension (mm) Load(N) ee owow AlAl guidewayguideway motor andmotor and gearboxgearbox X-rays load cellload cell furnacefurnace sectionsection withwith activeactive coolingcooling OctopoleOctopole IR lampIR lamp arrangementarrangement ee owow AlAl guidewayguideway motor andmotor and gearboxgearbox X-rays load cellload cell furnacefurnace sectionsection withwith activeactive coolingcooling OctopoleOctopole IR lampIR lamp arrangementarrangement In-situ testing SiCf/SiCm at 1750˚C In-Situ 3D Tomography at 1750 C R. Ritchie (UC BERKELEY) Nature of Materials 2013
  17. 17. 17DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Comparison of Simulation and in-situ Tomography In situ tomography 1750oC D. Marshall, B. Cox (TELEDYNE), F. Zok (UCSB), Q. Yang (U. MIAMI), R. Ritchie (UC BERKELEY)
  18. 18. 18DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution OUTLINE I. Predictive Materials Science Bulk Metallic Glasses Carbides (SiC, TaC, Ta4C) Textile Based Hybrid Composite II. Materials Far from Equilibrium Micro-Architectured Surfaces Surface Catalysis at Extreme Environment III. Challenges, Motivations and New initiatives.
  19. 19. 19DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Materials Far from Equilibrium: Micro-Architectured Surfaces N. Ghoniem / UCLA  Plasma Erosion & Modeling (Wirz - UCLA).  Plasma Source Development (Goebel – JPL/UCLA)  Secondary Electron Emission & Plasma Modeling (Raitses, Kaganovich - PPPL).  Materials Characterization (Thompson - UA).  High Heat Flux Testing (Ghoniem - UCLA).  Manufacturing of Micro-architectured Materials (Williams - ULTRAMET).  Multiscale Modeling of Material Damage (Ghoniem - UCLA). Hole formation [1994(MJ/m2), 0.2 (MW/m2)]
  20. 20. 20DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution [360 (MJ/m2),0.2 (MW/m2)] Hole formation [641(MJ/m2),0.2 (MW/m2)] Fine hole formation [1441(MJ/m2),0.2 (MW/m2)] Hole formation [128(MJ/m2),0.02 (MW/m2)] No damage [721(MJ/m2),0.4 (MW/m2)] Limited damage Hole formation Damage for Heat flux < 1 MW/m2 N. Ghoniem (UCLA), Y. Raitses and I. Kaganovich (PRINCETON), G. Thompson (U. ALABAMA), B. Williams (ULTRAMET) [1994(MJ/m2),0.2 (MW/m2)]
  21. 21. 21DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Atomistic Simulations of Surface Defects in W under Plasma Bombardment Hopping of the adatom is the dominant mechanism on (110) surface. The formation and the movement of surface crowdions contributes mostly on (001) surface. Exchange mechanism is also important on (001) surface, biaxial strain can manipulate the relative contribution of Path-Ex and Path-Crow. (001) (110) r(r) of surface crowdion indicates the high mobility and strong anistropy of its movement. MD simulation indicates that the bombardment of a Xe atom induces ballistic diffusion of W atoms (W1 in the graph) and causes the formation and evolution of crowdions near the surface. Snapshots of the bombardment of a Xe atom (KE = 100 eV) on W(001) surface at T = 200 K. N. Ghoniem (UCLA)
  22. 22. 22DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Vacancy Production in Surface Layers Leads to Surface Instabilities Jerome Paret. Long-time dynamics of the three-dimensional biaxial grinfeld instability. Physical Review E, 72:01105–1–5, 2005. D. Walgraef, N.M. Ghoniem, and J. Lauzeral. Deformation patterns in thin films under uniform laser irradiation. Phys.Rev., B 56:15361–15377, 1997. N. Ghoniem (UCLA)
  23. 23. 23DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution OUTLINE I. Predictive Materials Science Bulk Metallic Glasses Carbides (SiC, TaC, Ta4C) Textile Based Hybrid Composite II. Materials Far from Equilibrium Micro-Architectured Surfaces Surface Catalysis at Extreme Environment III. Challenges, Motivations and New initiatives.
  24. 24. 24DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Spatially resolved measurement location N + N + [s] → [s] + N2 Flight environment to ground facility testing comparison Approach: Compare surface- catalyzed reaction efficiencies for flexible and rigid materials with same elemental composition by measuring relative atom density and temperature gradients above material samples in the 30 kW ICP Torch Facility using laser induced fluorescence Surface Catalysis Testing in a 30kW ICP Torch Facility D. Fletcher (U. VERMONT), J. Marshall (SRI), M. Akinc (ISU), J. Prepezko (U. Wisconsin)
  25. 25. 25DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution •Relative N atom concentration measurements for quartz and monolithic -SiC •Increasing concentration toward wall indicates low surface catalyzed reaction efficiency •From the nN plot, it can be seen that -SiC (Tw = 1300 K) is of comparable catalycity to quartz (Tw < 1000 K) 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 0 1000 2000 3000 4000 5000 6000 7000 Quartz [20120404] SiC Puck [20120321] Distance Above Surface [mm] =1 NormalizednN [a.u.] =0 Temperature[K] Distance Above Surface [mm] =0 Surface Catalytic Effect of SiC Testing in a 30kW ICP Torch Facility D. Fletcher (U. VERMONT), J. Marshall (SRI), M. Akinc (ISU), J. Prepezko (U. Wisconsin)
  26. 26. 26DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution OUTLINE I. Predictive Materials Science Bulk Metallic Glasses Carbides (SiC, TaC, Ta4C) Textile Based Hybrid Composite II. Materials Far from Equilibrium Micro-Architectured Surfaces Surface Catalysis at Extreme Environment III. Challenges, Motivations and New initiatives.
  27. 27. 27DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution Si SiO2 SrTiO3 TiO2 Protective Ir Interfacial dielectric responseElectron Energy Loss Spectroscopy 2012 BRI: 2D-Materials for Extreme Environments 2013 BRI: Charge Transfer at the Interface A. Demkov, unpublished work Demkov 2010 Inoue 2009 Heidger 2012 • Demkov: Diffuse Interface • Inoue: Stoichimetyry of Hf1-xO2-x • Heidger: Termination
  28. 28. 28DISTRIBUTION STATEMENT A – Unclassified, Unlimited Distribution SUMMARY I. Predictive Materials Science Bulk Metallic Glasses Carbides (SiC, TaC, Ta4C) Textile Based Hybrid Composite (NHSC) 2012 MURI: Mosaic of Structure (CMU): Descriptor Challenge (wt. Dr. Fahroo) 2012 MURI: Atomic Scale Interface (LEHIGH) / (Dr. Shifler / ONR) 2013 MURI: Peridynamics (wt. Drs. Stargel & Fahroo) II. Materials Far from Equilibrium Micro-Architectured Surfaces Surface Catalysis at Extreme Environments 2013 BRI: Layered Structured Materials (2D E-Gas) III.Challenges, Motivations and New initiatives 2012 MURI: Template-Directed Directionally Solidified Eutectic Metamaterials 2013 MURI: Magneto-Electric Energy Conversion Materials and Terahertz Emission in Unbiased Dielectrics (wt. Dr. Luginsland) 2013 BRI: Metal Dielectric Interface: Charge Transfer in Heterogeneous Media under Extreme Environments (wt. Dr. Luginsland)

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