Sayir - Aerospace Materials for Extreme Environments - Spring Reivew 2012
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Transcript of Sayir - Aerospace Materials for Extreme Environments - Spring Reivew 2012
1 DISTRIBUTION A: Approved for public release; distribution is unlimited. 9 March 2012
Integrity Service Excellence
Dr. Ali Sayir
Program Manager
AFOSR/RSA
Air Force Research Laboratory
AEROSPACE MATERIALS
FOR EXTREME
ENVIRONMENTS
8 MAR 2012
2 DISTRIBUTION A: Approved for public release; distribution is unlimited.
2012 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
(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.
3 DISTRIBUTION A: Approved for public release; distribution is unlimited.
OUTLINE
I. 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
discovery
IV. Challenges, Motivations and New initiatives.
4 DISTRIBUTION A: Approved for public release; distribution is unlimited.
High Temperature Phase Transformations in
Oxide Ceramics W. Kriven / UIUC
5 DISTRIBUTION A: Approved for public release; distribution is unlimited.
To study the ferroelastic phase transformation in
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
LaNbO4, YNbO4 and DyNbO4 is second order
II. Transformation temperatures:
– LaNbO4 = 503º ± 18ºC
– YNbO4 = 867º ± 16ºC
– DyNbO4 = 875º ± 2ºC.
I. Room temperature spontaneous strain (es)
– LaNbO4 = 6.84%
– YNbO4 = 6.33%
– DyNbO4 = 6.48%
RNbO4 Phase Transformations
W. Kriven / UIUC
Z
X
Y
aT
cM
bM
aM
cT
bT
M
Monoclinic
Tetragonal
Z
X
Y
aT
cM
bM
aM
cT
bT
M
Z
X
Y
aT
cM
bM
aM
cT
bT
M
Monoclinic
Tetragonal
This is a second order
transformation having a
lattice correspondence on
transformation
am ↔ bt
bm ↔ ct
cm ↔ at
6 DISTRIBUTION A: Approved for public release; distribution is unlimited.
Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminary
information from premature dissemination. Other requests for this document shall be referred to AFOSR/PI.
Accomplishments
• Multiscale experimental perspective of plastic deformation
• Measurement of dislocation cell structures with SEM rather than a TEM
• Measured distribution and evolution of characteristic length scales of plastic deformation
Objective
• High spatial resolution experimental measurements of state variables that govern evolution of elastic-plastic deformation at high temperatures
Technical Approach
Two-dimensional indentation
– Metals (Ni, Ta) & Ceramics (monazite)
– Net Burgers Vector Density
– Nye dislocation tensor components
– Lower bound on Geometrically Necessary Dislocation (GND) density
Multi-scale experiments
– Spatial resolutions of 3 mm, 500 nm and 50 nm in overlapping regions
Multi-scale models
– Evolution of crystalline defects across length scales
Multiscale
Measurement of Lattice
Rotation
Relevance
• Will serve to inform and to validates physics-based constitutive models
Technology Transition
• Research collaborations – Lawrence Livermore National
Laboratory
– Brent Adams (BYU)
Cell size vs. GNDs 3 mm
Monazite
Crystal
Growth
Monazite
Micro-pillar
Tests
Measured Dislocation
Cell Structure with SW.
Plasticity in Extreme Environment:
Tantalum and Monazite J. W. Kysar / Columbia University
7 DISTRIBUTION A: Approved for public release; distribution is unlimited.
OUTLINE
I. 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
discovery
IV. Challenges, Motivations and New initiatives.
8 DISTRIBUTION A: Approved for public release; distribution is unlimited.
UC Berkeley/ALS
R. Ritchie (mechanics, imaging) Combine experiments and
multi-scale models into a
virtual test system
multi-scale models
new experimental methods
new materials &
processing science
Teledyne Scientific
D. Marshall (materials & structures)B. Cox (mechanics of materials)
UC Santa Barbara F. Zok (structural materials)
R. McMeeking (mechanics)
M. Begley (mechanics)
U. of Texas
P. Kroll (atomistics)
Missouri University W. Fahrenholtz &G. Hilmas
(UHTCs)
U. of Colorado R. Raj (high temp.
materials &
properties)
U. of Miami
Q. Yang (mechanics)
Collaborations, test and
advisory support AFRL/WPAFB (M. Cinibulk)
NASA, Boeing, ATK, Lockheed-Martin International affiliate University of Canterbury
(S. Krumdieck)
Other collaborations von Karman Institute,
J. Marschall, SRI, U. Vermont
Gerhard Dehm, Leoben, Austria
M. Spearing,Univ. Southampton
Stepan Lomov, Kath. Univ. Leuven
Loughborough Univ. (UK)
M. Smart Univ. Queensland
National Hypersonic Science Center for
Materials and Structures
9 DISTRIBUTION A: Approved for public release; distribution is unlimited.
10 mm HfO2
reinfiltrated Hf-PDC
in shrinkage crack
Hf-PDC
GB phase
rigid scaffold
rigid network of
large particles
Multilayer
HfO2/PDC
CVD
SiC
fiber
tow
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
HfO2
Hf-PDC
HfO2
1 mm 0.1 mm
1 mm
10 DISTRIBUTION A: Approved for public release; distribution is unlimited. Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminary
information from premature dissemination. Other requests for this document shall be referred to AFOSR/PI.
Synchrotron Imaging of Structure and Damage
R. Ritchie (UC Berkeley) / National Hypersonic Science Center
Compound visualization of statistical parameters
5mm
Compound visualization of statistical parameters
5mm
Tow cross
sectional
area
3-D microstructural
characterization &
geometry generator
8 8 octopoleoctopole 1000W1000W
IR lamps IR lamps
XX--raysrays
dogdog--bonebone
sample sample
water water
coolingcooling
and sample and sample
mount accessmount access
360 deg 360 deg
thin windowthin window
0.25 mm Al 0.25 mm Al
Lamp
Lamp
Lamp
Lamp
Lamp
to load cell and water cooling to load cell and water cooling
guidewayguideway
motor andmotor and
gearboxgearbox
X-rays
load cell load cell
furnace furnace
section section
with with
active active
cooling cooling
OctopoleOctopole IR lamp IR lamp
arrangement arrangement
water water
coolingcooling
LBNL design : LBNL design : J.NasiatkaJ.Nasiatka, , A.MacDowellA.MacDowell
8 8 octopoleoctopole 1000W1000W
IR lamps IR lamps
XX--raysrays
dogdog--bonebone
sample sample
water water
coolingcooling
and sample and sample
mount accessmount access
360 deg 360 deg
thin windowthin window
0.25 mm Al 0.25 mm Al
Lamp
Lamp
Lamp
Lamp
Lamp
to load cell and water cooling to load cell and water cooling
guidewayguideway
motor andmotor and
gearboxgearbox
X-rays
load cell load cell
furnace furnace
section section
with with
active active
cooling cooling
OctopoleOctopole IR lamp IR lamp
arrangement arrangement
water water
coolingcooling
LBNL design : LBNL design : J.NasiatkaJ.Nasiatka, , A.MacDowellA.MacDowell
crack
2D 2D tomographictomographic slices with no loadslices with no load
SiC-SiC composite: RT in situ loading
High temperature in situ stage (1500 oC)
Resolution < 1mm
Input to constitutive law
calibration in virtual test
11 DISTRIBUTION A: Approved for public release; distribution is unlimited. Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminary
information from premature dissemination. Other requests for this document shall be referred to AFOSR/PI.
Pipeline Exercise (3D) R. Ritchie (UC Berkeley) / B. Cox (Teledyne) / Zok (UCSB) / Yang (U.
Miami) / D. Marshall (Teledyne) / National Hypersonic Science Center
3D geometric model
(UCSB & Teledyne)
2D cross-section data (UCSB & Teledyne)
mCT data from UC-Berkeley - Ritchie
3D FEM -0.005
0
0.005
0.01
0.015
0.02
0.025
0 1 2 3 4 5 6 7 8 9 10
Simulated surface strain
(UM – Yang)
Validation from Measured surface strain
(UCSB – Zok)
12 DISTRIBUTION A: Approved for public release; distribution is unlimited.
Amorphous Ceramics
Hf-Si-C-N-O Si-C-O with “free” C
• grain boundary phases (Hf/Zr-Si-C-O)
• models for melts (W-Si-B-O)
• synthesized “hierarchical” materials
(PDC or CVD)
T
time
1000
2000
3000
4000
5000
120 ps 90 ps 60 ps 30 ps
• network approach (modified WWW algorithm)
• melt-quench
• DFT, ab initio molecular dynamics (VASP-code)
• both approaches augmented with repeated annealing to achieve low-
energy structures
Disordered Structures
P. Kroll (U. Texas) / National Hypersonic Science Center
13 DISTRIBUTION A: Approved for public release; distribution is unlimited.
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
Si-C substructure
(sideview)
• DE in SiCO larger
than DE in SiO2 • Barrier 1 – 3 eV
SiCO glass, Si52C12O80,
25mol%SiC
Diffusion of O2 in SiCO glass is smaller
than in SiO2 (if void structure is similar )
14 DISTRIBUTION A: Approved for public release; distribution is unlimited.
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
Objective: Translate collection optics and beam
to measure temperature and species distributions
Laser Diagnostics: Property Gradients
D. Fletcher / U. Vermont
ni(x)
T(x)
Flow
Interface
Gas Phase
Boundary
15 DISTRIBUTION A: Approved for public release; distribution is unlimited.
Computational estimates of
critical content – feasibility
assessment and define
experimental window. (Models used – An extended Miedema
model (semi-empirical thermodynamics)
and ab-initio calculations using VASP,
with GGA potentials )
Use computational results,
basic thermodynamics and
experimental results for
analyzing the system. (Density of states calculations from
VASP, interface enthalpy values from
Miedema for understanding stability
and partitioning)
SEM of a Mo60W15Si25 two phase
alloy (Mo,W) ss and (Mo,W)5Si3.
0 50 100 150 200 250 300 350
1100
1300
1500
1700
BO2 = 518.8 nm
B
RA
W S
IGN
AL,
a.u
.
= 249.9 nm
TEST TIME, s
TE
MP
ER
AT
UR
E, °C
BOINT
EN
SIT
Y,
a.u
.
= 404.1 nm
Biasing Reactions of Mo-Si-B-Alloys D. Fletcher (U. Vermont) / J. Prepezko (U. Wisconsin) /
M. Akinc (u. Iowa) / J. Marshall (SRI Int.)
T2
BCC A15 T1
Mo2B
MoB
16 DISTRIBUTION A: Approved for public release; distribution is unlimited. Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminary
information from premature dissemination. Other requests for this document shall be referred to AFOSR/PI.
An aqueous, non-toxic
method for electroplating
Re-Me coatings
Me0
Cu
substrate
Me2+
Ni2+ + 2 e-M Ni0M
Ni0M + ReO4- + 2H+ Ni2+
M + ReO3- + H2O
Cu
substrate
Me0
Me2+
Re0
ReO4-
ReO3-
2e-
ReO3- + 5e-
M + 3H2O Re0M + 6(OH)-
100 µm(a)
100 µm(b)
100 µm(c)
100 µm(a) 100 µm(a)
100 µm(b) 100 µm(b)
100 µm(c) 100 µm(c)
100 µm(a)
100 µm(b)
100 µm(c)
100 µm(a) 100 µm(a)
100 µm(b) 100 µm(b)
100 µm(c) 100 µm(c)
100 µm(a)
100 µm(b)
100 µm(c)
100 µm(a) 100 µm(a)
100 µm(b) 100 µm(b)
100 µm(c) 100 µm(c)
Objective:
•Understand the mechanism that governs the
electrodeposition of Re and its alloys.
Re-Co Re-Fe Re-Ni
Electroplating Rhenium and its Alloys S.R. Taylor / U. Texas Health Science &
N. Eliaz / Tel Aviv University, ISRAEL
Calculations (NSF):
• Binding Energies:
Ni-Cu and Re-Cu
• Transition State
(Potential Barrier)
• Reduction Potential (Ni(II) &
Re(VII)) vs Ag/AgCl)
• Entropy: Ni-Cu and Re-Cu
17 DISTRIBUTION A: Approved for public release; distribution is unlimited.
OUTLINE
I. 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
discovery
IV. Challenges, Motivations and New initiatives.
18 DISTRIBUTION A: Approved for public release; distribution is unlimited.
Crystal
Structure Crystal
Chemistry
Property
Dielectric loss
TC
PS
d33
Ionic Size
Polarizability
Tetragonality
Bond covalency
Ionic displacement
High-dimensional descriptor space
PCA
Rough sets
❖Ionic size
❖Pseudopotential radii
❖Bond length
❖Pauling
❖electronegativity
❖Polarizing power
❖Mendeleev number
Six key factors affecting TC of
BiMeO3-PbTiO3 ferroelectrics
We started with 48 descriptors
and down-selected them to 6
48 potential
descriptors
Data Mining
Statistical Learning
Ranking and
identification of key
factors that govern
TC
Informatics and Combinatorial Based Discovery
K. Rajan / U. Iowa
19 DISTRIBUTION A: Approved for public release; distribution is unlimited. Distribution C: Distribution authorized to U.S. Government agencies and their contractors. To protect draft, planning, or other preliminary
information from premature dissemination. Other requests for this document shall be referred to AFOSR/PI.
Nano-calorimeter array
Cooling rate (K/s)
High Temperature Combinatorial Nano-
Calorimetry for Materials Discovery J. Vlassak / Harvard U.
20 DISTRIBUTION A: Approved for public release; distribution is unlimited.
OUTLINE
I. 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
discovery
IV. Challenges, Motivations and New initiatives.
21 DISTRIBUTION A: Approved for public release; distribution is unlimited.
OLD: • 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 in
a 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 charge.
CHALLENGE I: PROCESSING SCIENCE
Electromagnetic Excitation is a Means to Change Materials Properties
22 DISTRIBUTION A: Approved for public release; distribution is unlimited.
CHALLENGE II:
Design: GB Phase Diagrams
• Fabrication protocols utilizing
appropriate GB structures to achieve
optimal microstructures
• Co-doping strategies and/or heat
treatment recipes to tune the GB
structures for desired performance
Understanding of Non-Equilibrium Structures at different Length Scales
J. Luo / Clemson U.
Discrete Thickness
1 nm
Ni-Bi
1 nm
Ni-Bi
Luo, Cheng, Asl, Kiely & Harmer, Science 333: 1730 (2011)
Nanometer “Equilibrium” Thickness
2 nm 2 nm
Mo-Ni W-Ni
Luo, Cheng, Asl, &, Kiely, In Preparation (2012)
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Two Questions:
1) Finite Atomic Size?
2) A Series of Discrete Grain Boundary Phases?
CHALLENGE II:
Quantitative Descriptors for the Interface
ONR MURI 2011 (Dr. Dave Shifler):
Atomic-Scale Interphase: Exploring New Material States
AFOSR MURI 2012
(Drs. F. Fahroo and A. Sayir):
Information Complexity in
Predictive Material Science
• Structure description
• Uncertainty quantification
• Cross-Entropy minimization
• Info complexity Management • Machine learning
Definition of local state ?: •Composition / activity •Lattice orientation •External field coupling •Energy
24 DISTRIBUTION A: Approved for public release; distribution is unlimited.
Unsolved Problem I:
Surface temperature history
The von Karman Institute 1.2 MW Plasmatron
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
0 60 120 180 240 300 360 420 480 540 600 6601200
1400
1600
1800
2000
2200
2400
2600
2800
SU
RF
AC
E T
EM
PE
RA
TU
RE
, K
TEST TIME, s
3.3
3.5
3.9
3.4
3.2
ZrB2-30vol%SiC-4mol%WC
1000
1200
1400
1600
1800
2000
2200
2400
2600
Mass flow: 16 g/s
Pchamber
: 10 kPa
Spontaneous
Temperature
Jump
~470 K
SU
RF
AC
E T
EM
PE
RA
TU
RE
, °C
Plasmatron Power Increase
Dqcw
= 40-80 W/cm2
qcw
=75-85 W/cm2
Wall
Ions, Neutral Gas, Plasma
Electrons, and Radiation
Ions, Neutral Gas, Plasma
Electrons, Secondary Electrons,
Wall Material, and Radiation
Conductive Heat Loss
Sheath formation affects both the plasma and the wall I) Ions strikes: • Sputter wall material and ejects species into plasma • Neutralization pulls electrons from the wall • SEE that cools the plasma & deposit plasma energy into wall II) Electrons strikes: • SEE and deposit energy • Impact atomic structure of wall
CHALLENGE III:
Materials Far From Equilibrium
De Gris et al., 2010
470 K Temperature Jump !
Unsolved Problem II:
Instability and 3D Erosion
AFOSR BRI 2011: Materials far from Equilibrium (Drs. M. Birkan, J. Luginsland, and A. Sayir)
Wall’s Contribution must be considered !
J. Marshall / SRI
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