L5b MSc390`16 Projects2016

MSc390 Materials Design
Spring 2016
PROJECT SCHEDULE
Form Teams
Discussion 1
M
F
4/11
4/15
Pre‐Proposal Due
M
4/25
Discussion 2
W
5/4
Midterm Problem Set Due
Midterm Problem Set Due
F
5/6
Proposal (Preliminary Results) Due
F
5/13
Discussion 3
F
5/20
Mickelson Prize Submission F 5/20
Discussion 4
Discussion 4 W 6/1
W
6/1
Final Report/Presentation
Sat 6/4
PROPOSAL OUTLINE
1 Need/Background
1. Need/Background
2. Team Organization (RAM)
3. Property Objectives (CES)
4. System Structure (System Chart)
5 Design Approaches
5. Design Approaches
6. Preliminary Results
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
Automotive AHSS Sheet:
QUENCH AND PARTITION STEELS
Objectives:
Optimal
p
design
g of industrial Q
Q&P p
processing
g
parameters and suitable alloy composition to
achieve the best possible combination of
strength and toughness for 3rd Generation
Advanced High Strength Steels (AHSS)
Q&P: What and Why?
X. Sun, PNNL, Richland, WA
Stuart Keeler and Pete Ulintz
5
Initial alloy and QP cycles
Mn
Si
Cr
Ms temp
(dilatometer)
0.2
2.2
1.5
0.2
~354oC
QT 350
QT 300
Q
QT 270
QT 250
: ~4%
: ~56%
: ~83%
: ~93%
900oC
Tempeerature
(
(wt%)
)
C
PT=450oC
QT=300oC
100 sec
5 K/s
60 K/s
100 sec
2 K/s
Time
5 K/s
RT
MECHANICAL
C
NC
BEHAVIOR
VO
Bolling-Richman single specimen
technique
Msσ=150oC,
C too high
for optimum ductility
Cγ (XRD) = 0.99 wt%
Olson G.B. , Cohen M., J. Less-Common Metals, 28 (1972)
LEAP Analysis
y of Austenite in Q&P
Q
Martensitic Steels
SEM
micrographs
10 m
THERMODYNAMIC
O N
C MODELING
O
NG
Time = 1, 15, 75, 175, 500 secs
Austenite
1s
C in austenite
0.043
0.4µm
µ
µ
0.2µm
α'
γ
Martensite
1s
15s
75s
DESIGN
S GN FLOWCHART
OWC
Design parameters: Alloy composition and
processing conditions
Austenizing temp., Quench, Partition
temperature/time, Heating rate
Microstructural characterization: γ size, comp,
phase
h
ffractions
ti
Instruments: SEM, TEM, 3D Atom Probe, XRD and
Dilatometer
Mechanical behavior: Yield stress, elongation
g
and Msσ temp.
Tensile testing, Bolling-Richman test for Msσ
Thermo
Calc
Cγ at PT
DICTRA
Time at
PT
Olson-Cohen
model
Msσ from Cγ
Cγ from required
req ired
Msσ
New
Design
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
Additive Manufacturing
DARPA O
Open M
Manufacturing
f t i
(OM) Program
Rapid Low Cost Additive Manufacturing
INPUTS
APPROACH
NIST
OUTPUTS
AMPI
MAI
HON-9
HON
9
Failure Modes
Ri k Mitigation
Risk
Miti ti
DEFORM
Heat Treat
Modeling
NAMII
Location
Specific YS, UTS
HON IR&D
RT-1000F
YS, UTS Model
Probabilistic
YS, UTS
Model Inputs
YS UTS Mi
YS,
Minimums
i
Mechanical
Testing
Grain Size
Grain Size
Evolution
Model
Oxide/Carbide
E l ti
Evolution
Anisotropy
Microstructure
Variability
Process
Deviations
Specification
Requirements
Metallography
Fractography
g p y
Fixed
Fi
dP
Process
Requirements
V&V Metrics
UQ
Calibration
Use or disclosure of information contained on this page is subject to the restrictions on the cover.
Substantiation
Requirements
I
Inspection
ti
Requirements
718+ Recrystallization vs.T (1.5hr)
As-built
1800°F
200 μm scale
1835°F
=200 µm; Copy of Copy of IPF + GB>10deg; Step=3 µm; Grid215x215
1900°F
1850°F
1950°F
Original
Build
direction
=200 µm; Copy of Copy of IPF + GB>10deg; Step=2.6 µm; Grid251x251
δ solvus 1885°F
Use or disclosure of information contained on this page is subject to the restrictions on the cover.
13
γ’ Precipitation Strengthening
50 nm
700°C
AQ
Peak hardness, r = 7 nm
10hrs
50hrs
100hrs
Cyberalloys 2020: Naval Materials by Design
Gregory B. Olson, Northwestern University
PH TRIP F
PH‐TRIP Fragment Protection Steel
t P t ti St l
•Based on D3D simulation of damage‐based shear plugging failure mechanism, p gg g
transformation stability of precipitation‐
hardened low‐Cr nonmagnetic austenitic steel is optimized for shear plugging resistance.
•Process optimization by 2‐step tempering •Process
optimi ation b 2 step tempering
and thermomechanical treatment demonstrates excellent combination of fracture ductility, uniform ductility and strength
•High promise for superior FSP V50
performance.
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
High‐Performance SMA
Stenting
g ‘Superficial’
p
Femoral Arteryy
STENT
Superelastic
p
stent preserves
p
the natural
physiology of human body (compared to
current stainless steel stent)
NiTi alloy suffers from limited fatigue life
High performance superelastic alloy
Current –Controlled SMA Actuators
SMA actuator
SMA actuation technology allows achieving
a much higher power/weight ratio.
It can lead
l d to
t environmental
i
t l robust
b t devices
d i
with lower energy requirements, smaller
size and less mass.
Competitive shape memory alloy with
large volume and low cost
USE-CASE GROUP
G. OLSON, NU
PRECIPITATION‐STRENGTHENED ALLOYS: SMAs
DESIGN GOALS
 Characterize phase relations, kinetics, and strengthening behavior in L21 Heusler strengthened
low-Ni, high-strength “hybrid” (Pd,Ni)(Ti,Zr,Al) and Ni-free (Pd,Fe)(Ti,Al) alloy systems for SMA
design
g with enhanced cyclic
y
stability.
y
 Employ FEA simulation of fatigue nucleation to predictively optimize inclusion distribution for
enhanced minimum UHCF fatigue performance.
-Completed
p
doctoral thesis of Dr.Dana Frankel
(MSE) demonstrated superelastic peakstrengthened Ni-free alloy with high thermal cyclic
stability and low hysteresis. Transformable low-Ni
Pd-Zr hybrid prototype calibrated role of misfit in
strengthening efficiency.
efficiency Overview paper published
in new SMA journal.
0.40%
-FEA modeling performed in student team
collaboration with Dr. John Moore (ME) used an
image-based mesh to predict 2X minimum UHCF
fatigue property improvement with 3X inclusion
size refinement. Publication in press.
Strain, %
0.30%
0.20%
0.10%
0.00%
1.00E+04 1.00E+06 1.00E+08 1.00E+10 1.00E+12
Fatigue Life (N)
Fatigue Resistant SMAs
Precipitation Strengthening in (Ti,Al)50(Pd,Ni)50 Alloys
1hr
3.5hr
7.5hr
16hr
50hr
Ageing
at
550°C
20nm
Optimal particle radius=2.34nm
10
1800
8
Phase
fraction(%)
1600
6
4
1400
2
6
25
10
24
10
23
4
Particle
Radius(nm)
1000
800
600
400
2
0.0
0.0
1200
1/2
Number
-3
Density (m )
10
f

0
200
0
1
10
Ageing time at 550C(hr)
100
0
2
4
6
Precipitate radius (nm)
8
10
Shape Memory Alloy Database
Shape Memory Alloy Database
• Components: Ti‐Zr‐Hf‐Ni‐Pd‐Pt‐Fe‐Co‐Ni‐Al‐O‐C • Phases:
Phases: B2 matrix, L21 aluminide, Ti4Ni2O oxide, M(C O) bid B19 d B19’
M(C,O) carbide, B19 and B19’ martensites
Performance validation: stabilized fatigue cyclic behavior
Current design
Optimized alloy reported by Pelton
Pelton,
2011
0.25
10 cycles
Heat
0.05
‐0.05
ΔT<0 1°C
ΔT<0.1
C
Cool
‐0 15
‐0.15
‐0.25
‐40
‐20
0
Temperature (c°)
20
40
350
<5
%
10 cycles
300
25
%
250
Stress (MPa))
Heat Flow (w/g
g)
0.15
200
150
100
50
0
0
1
2
3
Strain (% )
4
5
6
Strain (%)
Nitinol Inclusion Clusters: Ti
Ti4Ni2O vs. O vs. TiC
TiC
Characterization of Non‐Metallic Inclusions in Superelastic
NiTi Tubes, A. Toro et al., JMEPEG, 2009, vol 18, 448‐458
Design Research Tools Consortium
Contract No. N00014-05-C-0241
3D Microstructure‐Sensitive Fatigue Simulator
g
0.30
• Process simulation for prediction of critical locations
• 3D representation of observed potent 3D representation of observed potent
nucleant clusters
• Micromechanical simulation of FIP evolution
0.25
g
0.15
0.10
0.05
0.00
0.0
N=10
N=3
C61
Distributed Potency
0.20
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1.0
S‐N
P=0.01
N
• Prediction of distributed nucleant potency
• Probabilistic prediction of minimum Probabilistic prediction of minimum
fatigue properties
10 μm
R. Prasanna, D. McDowell, Georgia Institute of Technology
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
Energy Department Investments to Develop Lighter, St
Stronger Materials for Greater Vehicle Fuel Economy
M t i l f G t V hi l F l E
August 13, 2012
As part of the Obama Administration's all‐of‐the‐above energy strategy to reduce the United States' reliance on foreign oil and save drivers money at the pump, U.S. Energy
foreign oil and save drivers money at the pump, U.S. Energy Secretary Steven Chu announced today seven new projects to accelerate the development and deployment of stronger and li ht
lighter materials for the next generation of American‐made t i l f th
t
ti
fA
i
d
cars and trucks. These projects include the development and validation of modeling tools to deliver higher performing carbon fiber composites and advanced steels, as well as research into new lightweight, high‐strength alloys for energy‐
efficient vehicle and truck engines.
efficient vehicle and truck engines.
Computational Design and Development of New, Lightweight Cast Alloy for Advanced Cylinder Heads in High‐Efficiency Light‐Duty Engines
•
•
•
•
DOE $3.5M/4yr (GM $1.3M, QT $1.2M, NU $1.0M)
G. B. Olson, Design Integration, LEAP Microanalysis; Research Assistant
C. M. Wolverton, DFT Phase Discovery; Post‐doc
P. W. Voorhees , Phase Field ,
Solidification Simulation; Post‐
Doc
Shows Scheil
solidus
A356
B319
A354
A354+
From Tie-Triangle to Tie-Tetrahedron
Design‐Q
Qalloy1 button based on A354 wt%:
Al-0.83Cu-0.52Si-0.56Mg-0.055Zn (0.15Fe-0.09Mn)
Q
Q
α
Mg2Si
Add Fe, Mn
α
β
Mg2Si
300 °C
Q
KMP
3 84E 23
3.84E‐23
%
1.56
300 °C Si
Cu
Mg
Zn
Al
D*C
4.75E‐20
1.09E‐19
4.71E‐20
6.97E‐20
1.91E‐17
DC/C2
5.71E‐19
1.20E‐17
3.29E‐19
8.30E‐12
3.37E‐16
Q-phase Alloy LEAP Analysis
TempA
Under-aged
Peak-aged
TempB
Peak-aged*
4% Mg Isosurface
4 2% Mg Isosurface
4.2%
12% Mg Isosurface
Mole Fraction of Q: 1.01%
Volume Fraction of Q: 1.10%
1.41%
1.53%
Eq. Mole Fraction: 1.93%
Eq. Volume Fraction: 2.03%
1.76%
1.90%
1.907%
2%
33
*More data needed to determine aging peak
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
Cobalt Alloy Design
( l
(Olson & Dunand, leads)
l
)
Processing
Structure
Matrix
Tempering
Machining
- FCC (avoid HCP
transformation)
- Low SFE
- Solid solution
strengthening
Nanostructure
Solution
treatment
Hot working
>4” dia.
Homogen
Homogenization
VIM/VAR
melting
- Low-misfit L12
- Size & fraction
- Avoid embrittling
phases
Grain Structure
- Grain size
- GB chemistry
- pinning particles
- Avoid cellular
reaction
Solidification
structure
- Inclusions
- Eutectic
Properties
Non-toxic
Strength
-120
120 to 180 ksi
compressive YS
- CW not required
for strength
Wear
- Low CoF
- Galling/fretting
resistance
Performance
Environmentally
Friendly
Bearing Strength
Wear Resistance
Damage Tolerant
Toughness
-Highly
Hi hl ductile
d til
after solution treat
- High toughness
fully hardened
Corrosion
Resistant
F
Formable
bl
Corrosion
Resistant
USE-CASE GROUP
G. OLSON, D. DUNAND, NU
PRECIPITATION‐STRENGTHENED ALLOYS: Co‐based
DESIGN GOALS

Near-term: Apply accelerated insertion of materials (AIM) approach for accelerated qualification of
precipitation-strengthened Co-based bushing/actuator alloy use case
 Longer-term:
Longer term: Apply computational design to high
high-temperature
temperature Co alloys
New 300# VIM/VAR heat
QT-Co homogenized
& hot forged
•
Continued refinement of Co thermodynamic and
mobility
ob ty databases in NIST
S co
collaboration.
abo at o
•
Procured new 300-lb VIM/VAR heat of QT-Co
bushing alloy, refined homogenization and
forging conditions for completion of thermal
process optimization; new QT SBIR obtained to
aid AIM qualification.
•
Detailed microanalysis of experimental alloys
quantify phase relations for high-temperature
alloys and populate pre-CALPHAD data.
•
Search cross-plot of fundamental data
prioritizes new components for high-throughput
experiment and theory,
theory supporting expanded
CALPHAD assessment
Co Database Components
Co Database Components
• Co‐Al‐W‐Ni‐Ti‐Ta‐Nb‐B‐Cr‐Fe‐V‐Mn
Co Al W Ni Ti Ta Nb B Cr Fe V Mn
Initial focus
2nd focus
3rd level focus
(Bushing alloy applications?)
Co Al W (NIST/CHiMaD w/ThermoCalc (N.
Co-Al-W
(N Dupin)
Co-Ta-Ni NIST
Co-Ti-Ni (Cacciamani G)
Co-Ta-Ti NIST/CHiMaD - use same Co-Ti as Co-Ni-Ti ?
Co-Al-Ni Dupin thesis (1995)
Co-Al-Ta
Co-Al-Ti
Co-W-Ni
Co
W Ni Férnandez Guillermet (1988)
Co-W-Ti
Co-W-Ta
Co Alloy γ‐γ’ Partitioning and Transport (800C)
40
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
SLM Ti-64
HIPped 1000C 30min
W.Kurz et al, Sci Tech Adv Mater 2 (2001) 185-191
As-built
Build Direction
HIPped 1000C 120min
Application of QuesTek castable titanium alloys
(Army SBIR) for additive manufacturing
•
QuesTek’s castable Ti alloy has been converted to wire and deposited at Sciaky (EBAM)
•
“ICME
ICME‐designed
designed” to have a refined to have a refined
microstructure after solidification / cooling (ideal for AM processing)
• Enhanced combination of strength + ductility over Ti64
ductility over Ti64
TRIP Ti Design Integration
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
SIMPLEX
Data‐driven Discovery for Designed Thermoelectric Materials
Greg Olson, PI, QuesTek Innovations
• 10 yr $60M ($50M NIST + $10M cost match)
• Chicago Regional (Voorhees & Olson,NU/ dePablo,UC
Co‐Directors)
• Methods, tools and databases supporting MGI; metals, polymers, and beyond
– Thermoelectrics a novel use case Thermoelectrics: convertng waste heat to electricity
Yang, et al. npj Computational Materials 2 (2016): 15015.
Wikimedia Commons
Record high-ZT (PbTe-SrTe) exploits multiscale microstructure
Increasing efficiency
2.4
2.0
4% SrTe, 2% Na: SPS
2% SrTe, 1% Na: Ingot[14]
0% SrTe, 2% Na: Ingot
ZT
16
1.6
ZT ~ 1.1
ZT ~ 1.7
ZT ~ 2.2
Atomic
scale
Nano
scale
Meso
scale
All-scale hierarchical architecture
1.2
08
0.8
0.4
00
0.0
300 450 600 750 900
T, K
K. Biswas, et al. Nature 2012, 489, 414–418
1 cm
Thermoelectrics System Chart
y
Lattice Thermal Conductivity Optimization
Quench
Solid Solution
ThermoCalc
Phase
Separation
PbS
T = 900 K
PbTe
Lattice Thermal Conductivity Optimization
Quench
Nanostructured Morphology
He, et. al, Nano Lett. (2012).
Effect of
nanostructures
Girard, et. al, JACS (2011).
Lattice Thermal Conductivity Optimization
Quench
Solid Solution
Scattering Time
Debye-Callaway Thermal
Conductivity
Nanoprecipitate
Scattering Time
Grain Boundary
Scattering Time
Biswas, et al. Nature, 2012
Lattice Thermal Conductivity Optimization
Quench
Lattice Thermal Conductivity
The rate at which heat flows down a
temperature gradient via the motion
of atoms in a crystal
crystal.
•
•
Function of microstructure (i.e. nanostructure
radius and volume fraction)
Decreasing κlat increases ZT
Model indicates opportunity for
microstructure optimization… to be
automated by Vanderbilt OpenMeta
MSc390 Materials Design
Spring 2016
Design Projects
I
I.
Q&P TRIP Steel
Q&P TRIP Steel
Client: ArcelorMittal
Advisor: Amit Behera
II.
3D Printing Steel: PH Austenitic
Client: NIST‐CHiMaD, ONR, QuesTek
Advisor: Fuyao Yan
III. HP Shape Memory Alloy (DTC)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Ricardo Komai, Paul Adler
IV HT Cast Aluminum IV. HT Cast Aluminum
Client: GM, DOE, QuesTek
Advisor: Andrew Bobel
V. 3D Printing Co Superalloy
i i
ll (ICME) (
)
Client: NIST‐CHiMaD, QuesTek
Advisor: Dr. Wei Xiong
VI . 3D Printing TRIP Titanium Client: NIST‐CHiMaD, DMDII, ONR, QuesTek
Advisor: Fan Meng
VII. High ZT Thermoelectric
Client: DARPA‐SIMPLEX, NIST‐CHiMaD, Q
QuesTek
Advisor: Matt Peters
Backup slides
Backup slides
AHSS SYSTEM CHART
Processing
Final cooling
Partitioning time
Heating rate
(QT to PT)
Quenching
temperature
Solution
treatment
(IA or FA) time
Alloy
composition
Austenite
1. Austenite Stability
i. Carbon content
ii. Particle size
2. Austenite volume fraction
Martensite
1. Volume fraction
2. Different generations (and distribution
3. Nature of martensite (plate or lath)
4. Dislocation substructure in martensite
Bainite and others
Bainite (mixed structure of
martensite /bainite/retained
austenite)
Precipitation of carbides
Dislocations
Properties
Strength
Toughness
Elongation
Hole
expansion
Cost
Peerformancee
Partitioning
temperature
Structure
Automotive Multiphase TRIP Steels:
Stabilization Age for Enhanced Ductility
bili i
f
h
d
ili
90
T
True strain
t i
80
460°C, 2min
447°C, 2min
70
25%
60
fracture 
50
40
30
447°C, 2min
460°C, 2min
uniform 
20
10
0
‐100
‐50
0
50
100
Temperature °C
150
200
250
58
59
Microstructural Characterization
3D Atom Probe
Carbon 2 at% interface
Carbon 3.5at% interface
(Fe0.91 Mn0.05 Si0.03 Cr0.01)3C
Fe
Al
C
Cr
Mn
Si
75.1%
0.13%
17.1%
0.71%
4.16%
2.61%
Laser Engineered Net Shaping
Ti‐6Al‐4V
Reconstructed by FIB/SEM, 5x5x5 μm3
Selective Laser Melting
Ti‐6Al‐4V
Radiopacity study for stent application
• X-ray fluoroscopy provides real-time viewing of anatomical structures aiding the
tracking and deployment of stents in
in-vivo
vivo
• Increased stent signature will improve speed and accuracy of surgery
• Three approaches to increasing radiopacity: coatings, markers, alloying
• Q
Quantitative modeling
g calculating
g x-rayy absorption
p
usingg m/r
• Qualitative fluoroscopy validation
Mass attenuation coefficient


3
 
  wi    k3 Z eff
  i
   Alloy
Ni20Pd30Ti46Al4
TiNi
X-rayy Transmission
I
 e  
I0
SS-316
  x
Compound
 @ Absorption Radiopacity
30 keV
(1-I/I0)
Improvement
TiNi
7.93
18.6%
0.0%
SS-316
9.11
25.1%
34.9%
Ni42.8Pt7.5Ti49.7
12.03
30.6%
64.5%
Ni20Pd30Ti46Al4
20.00
45.0%
141.9%
• Ni20Pd30Ti46Al4 Al-equiv.
thickness of 5.7 mm
• TiNi and SS-316 Al-equiv.
thickness
hi k
off 0.5
0 5 mm
[Ref] Matt Bender, PhD Thesis
Biocompatibility
Cell viability
100
Samples were ground using dremel +
mortar and pestle
Live cell (%)
Control
Sterilized via 1hr 130°C autoclaving
NiPdTiAl
10
Human Coronary Artery Endothelial
Cells were cultured for 2, 4 days with
50ug/ml of pure TiNi and NiPdTiAl
powders, compared with the controlled
viability
NiTi
1
0
1
2
3
4
Time (day)
[Ref] Team stent alloy 2008, Materials Design final report
Effect of Increased B2 Strength
Increased life (N) of strengthened alloy compared typical life (No)
•
•
50% increase in matrix strength results in increase in fatigue limit (at 109
cycles) from 0.27% to 0.39%
Benefit of B2 strengthening increases as applied strain decrease
Benefit of B2 strengthening increases as applied strain decrease
Effect of Oxide Size
Relative size of averaging volume
0.40%
Larger Inclusion
Smaller Inclusion
0.35%
0.30%
Strain,, %
0.25%
0.20%
0.15%
0.10%
0.05%
0.00%
1.00E+04
1.00E+05
1.00E+06
1.00E+07
1.00E+08
1.00E+09
1.00E+10
1.00E+11
1.00E+12
Fatigue Life (N)
2x increase in fatigue strain for a 1/3 reduction in inclusion size.
f
f
/
d
l
65