accelerated design and deployment of advanced structural

October 04, 2017 / Tokyo

Accelerated Design and Deployment of Advanced Structural Materials (USA Materials Genome Initiative / QuesTek Materials by Design®)

I- Materials Informatics Overview

II- Innovative Materials Technologies in support of Industrial Sectors

- USA Materials Genome Initiative (MGI)

- Integrated Computational Materials Engineering (ICME)

III- Illustration of ICME / Materials by Design®

- Design and Deployment of Ultra High Strength Steels (Ferrium® M54)

- Additive Manufacturing of Gear Steels (Ferrium C64)

IV- Opportunities of ICME-Designed Structural Alloys in the Energy Sector

- Improving Energy Efficiency (SX-Ni) and Enhancing Oil & Gas Production (C-160)

- Innovations in Energy-Related Structural Materials (HEA Refractory Alloys)

V- ICME Technologies Contribution to Energy and Industrial Sectors

- Collaborations/Partnerships on Advanced Structural Materials

- Closing Remarks

Dr. Aziz Asphahani CEO, QuesTek International


I – Materials Informatics Overview Predictive Capabilities for Advanced Materials

(Redacted from Dr. D. Shin, Oak Ridge National Laboratory; August, 2017)

Big Data High-throughput

(Experimental; Calculated DFT)

Machine Learning Multiple descriptors simulations

(no specific insight required)

Validated Data Thermodynamic/Kinetics

(Microstructure-based Models)

MGI / ICME Physics-based Simulations

(Mechanistic-based insights)

Predictive Capabilities


Analogous to the US Human Genome Initiative: MGI is focused on design and deployment of novel,

advanced materials needed to enhance and sustain competitiveness (USA Materials Genome Initiative; NRC-2011)

Computational Materials Design (CMD) is being driven by a network of small businesses that have created and is maintaining the technology

(Accelerating Technology Transition; NRC-2004)

II- Innovative Materials Technologies in support of Industrial Sectors

p. 4


Integrated Computational Materials Engineering (ICME) Technologies (National Research Council Report, 2008)

Addressing the priorities set in MGI

“…recognizing the importance of advanced materials in support of innovations …” (Office of Science and Technology, Washington DC 2011)

Using validated thermodynamic and kinetic databases, along with advanced computational modeling tools, advanced materials

precise chemical compositions and processing parameters can be accurately and quickly identified, in order to obtain the

specific microstructures needed to meet key properties, necessary to ensure the required enhanced performance

(reducing time and cost, along with minimizing risks associated with novel materials design)


Integrated Computational Materials Engineering (ICME) technologies are becoming

best alternative to the traditional, empirical methods (trial & error) of materials development

III- Illustrations of ICME / Materials by Design®

Ferrium® S53® alloy First ICME-designed alloy to fly (2010)

2003 SERDP / ESTCP funded program addressing Air Force needs

Increased strength

Greater ductility

Improved corrosion resistance

Eliminated toxic cadmium-plating

Replaced “Legacy” Alloys


ICME Design and Deployment of Ultra High-Strength Steel

Issues:

Stress Corrosion Cracking failures

Over $200 million spent annually on military Landing Gears

Failure Mechanism: Intergranular Stress Corrosion Cracking Caused by Hydrogen


Traditional Alloy Development for Improved Toughness High-Strength Steels

Alloy UTS

(ksi)

KIC

(ksi√in)

300M

285 50

AMS 6532 (13% Co)

285 115


Issue 2: Susceptibility to Intergranular Stress Corrosion Cracking

Issue 1: High Cost of alloying elements (AMS 6532: 13% Co)

Alloy UTS

(Ksi)

KIC

(ksi√in)

KISCC

(ksi√in)

300M

285 50 15

AMS 6532 (13% Co)

285 115 20


QuesTek ICME / System-Based Approach: Design for Performance: “Olson Chart” (lines depict mechanistic-based models)

PROPERTIES (Functional Requirements)

STRUCTURE (Design Parameters)

PROCESSING (Process Variables)

STRENGTH

TOUGHNESS

HYDROGEN

RESISTANCE

P

E

R

F

O

R

M

A

N

C

E

E

R

F

O

R

M

A

N

C

E

Matrix

Lath Martensite

Ni: Cleavage Resistance

Co: SRO Recovery Resistance

Strengthening Dispersion

(Mo,Cr,W,V,Fe) 2 C

X (Nb,V)C

X

Avoid Fe 3 C, M

6 C, M

23 C

6

Grain Refining Dispersion _ d/f

Microvoid Nucleation Resistance

Austenite Dispersion

Stability (Size, Comp)

Amount

Dilatation

Grain Boundary Chemistry Cohesion Enhancement

Impurity Gettering

]

]

TEMPERING

SOLUTION

TREATMENT

HOT WORKING

SOLIDIFICATION

DEOXIDATION

REFINING

*

PERFORMANCE (USER-DRIVEN)

High Strength

Improved SCC Resistance

Lower Co-Content


Grain Boundaries Cohesive Energy / Effects of Alloying Elements

(Rice-Wang Model: Δ2𝛾 = C𝑖𝐸𝑖𝑝𝑜𝑡

𝑖 )

Segregation Energy (driving force: ΔgGB): Does solute diffuse to grain boundary from bulk?

Embrittlement potency (Epot): Does solute make it easier to pull apart grains

To reduce intergranular brittle fracture: add alloying elements with high propensity to segregate to grain boundaries, along with the potency to improve cohesion


Databases of Embrittling Potency

From Experiment From Theory (DFT calculation)

To reduce brittle fracture: identify the combinations of alloying elements which improve grain boundary cohesion

Solute Potency of Embrittlement [kJ/mol]

Em

bri

ttle

me

nt

Se

nsitiv

ity

[ΔD

BT

T,K

/ a

t.%

]


ICME-Designed Ferrium® M54 Ultra-High Strength Steel

Alloy UTS

ksi

KIC

ksi√in

KISCC

ksi√in

Calculated Grain Boundary Cohesion

Energy

“Δ2γ”

J/m2

300M 285 50 15 ~0.2

AMS 6532 (13% Co)

285 115 20 ~0.01

Ferrium M54 (7% Co)

290 115 100 ~0.001

p. 13


Ferrium M54 Hook-shanks / T-45 Trainer Jet

M54 hook shanks U.S. Navy-qualified with >2x life vs. incumbent steel

The U.S. Navy estimates $3 Million saved by implementing M54 steel

M54 approved to replace 300M on selected aircrafts for landing gear

components due to greater strength, toughness, fatigue life and

SCC resistance

(NAVAIR Public Release #2014-712)

From clean sheet design to qualification and flight in 7 years!

This innovation was

accelerated by the

application of

computational modeling

tools and extensive

materials databases


Oil & Gas Fasteners (Off-Shore Applications)

Oil & Gas issues with unexpected breakage of connector bolts on offshore safety equipment

• Breakage linked to Stress Corrosion Cracking (SCC); H2 due to corrosion

• “recall and replace” 10,000 bolts worldwide (significant lost time and cost)

E&E News; April 2017

Properties • 290 ksi Ultimate Strength • 115 ksi√in Fracture Toughness • >85 ksi√in KISCC

Bolts for critical NAVY applications

Class 3A Fastener

F-18 Hook Point Bolt

Ferrium® M54 Steel


Oil & Gas Tubulars (Deep/Mild-Sour wells)

p. 16


Additive Manufacturing of ICME-designed gear steels

Ferrium® C64 steel qualifications * Over 20 percent improved power density

* Over 2x required time to safety (oil-out conditions)

Qualified for next-generation helicopter

transmissions by Sikorsky and Bell Helicopter

C64 Additive Demonstrations • Powder successfully atomized

• AM platforms (Optomec, EOS, Arcam)

• Additive C64 met its AMS minimum

static mechanical properties,

exceeding that of incumbent wrought

alloys (e.g., Alloy X53)

Interested Industries and prototyping applications

- Sikorsky / Lockheed - Sports / Auto-racing

- Bell Helicopter - Formula 1 racing

- Rolls Royce - Wind Turbines

- Eaton Aerospace - Agricultural tooling

Other Opportunities Hybrid gear design (robots)

Addaero C64 gear blank


IV- Opportunities of ICME-Designed Structural Alloys in the Energy Sector “Castable single crystal Superalloys” Blades for Industrial Gas Turbines

US Department of Energy (SBIR: DE-SC0009592, 2013 - Present)

Primary Constraints:

- Freckle formation

- Hot tearing

- Porosity

- Improved creep resistance

QuesTek SX Low Rhenium

Freckle Formation Tendency Modeling

Creep Strength Modeling


“…Advanced materials are critical building blocs that can drive significant enhancements in America’s energy…” (Leverage: Advanced Materials Sector Study /US Council on Competitiveness; 2016)

. Multi-principle element alloys (HEAs) are considered the new frontier of advanced alloy design

. Government and Industry HEA research interest

(funding particularly in alloy Research & Development)

QuesTek Projects on Refractory HEA

-High strength at elevated temperatures

-High fatigue endurance limits

-Improved toughness

-Better resistance to corrosion, wear and radiation damages

Refractory HEA (hot zone compressor blades)

Innovations in Energy-related Structural Materials (High Entropy Alloys)


V- ICME Technologies Contribution to Energy and Industrial Sectors

Low cost, high

performance gear

steel for light

weighting / increased

power density

Automotive Transmissions

High-temperature

aluminum for

cylinder heads for

increased fuel

efficiency

Automotive Engines

Higher strength

C-steel (C-160)

resistant to H2S

stress cracking

Oil & Gas Deep Wells

Electricity Generation

Cost-effective,

castable, high yield

single crystal

superalloy for

industrial gas

turbine blades

R & D Contract pending

MOU/License Agreement

signed

License Agreement

signed

License Agreement

pending

Energy Production Energy Efficiency


QuesTek is presently interacting with Industrial Sectors (Producers, OEM’s, End-users) and

establishing “Innovation Partnerships”, as strategic alliances focused on ICME-technologies to

“…change the way industries do things…”

ICME Technologies Industry Collaborations / Partnerships (Advanced Structural Alloys)


“… Building the bridge between the University and the Business world is critical to accelerate

investment in energy, ensuring research does not get stranded in universities and lab …” (US Council on Competitiveness /Energy Sector Dialogue ; May 2017)

Industry

Universities & Research Centers

Governmental Research institutions

Pre-Competitive IP

Proprietary IP

Pre-Competitive IP

QuesTek Europe

QuesTek USA


Japanese Industrial Interests in QuesTek ICME Technologies

Time Topic Issue/problem QuesTek Solution

2014 C-Steel Fracture toughness Toughness modeling and compositional improvement

2015 Fe-base Creep strength Creep strength modeling and simulation

2016 UHSS Fracture toughness Compositional and processing optimization

2017 Superalloy Forging issues Recrystallization modeling for Hot-working

2017 Ni alloys Strength predictions Antiphase Boundary Energy/compositional variation

2017 CMC Oxidation / cracking Modeling of oxidation and corrosion fatigue

2017 Al alloys Tensile strength ICME-based prediction

2017 Ferritic steel Creep / weld Creep damage evaluation of welded joint


Closing Remarks

- Materials Informatics (Big-data, Artificial Intelligence, Machine Learning) are being viewed as the solutions to Industry challenges (Vision: novel compounds will be discovered by computers !..)

- Within Materials Informatics, Integrated Computational Materials Engineering technologies are proven successful in designing advanced structural materials

- ICME technologies (as a transformative discipline for enhanced industrial competitiveness) are being adopted by key industries seeking to cut in half time & Cost to deploy advanced structural materials


“… Materials industry in Japan, especially structural materials, has been the backbone of the whole Japanese industry…”

(Cross Ministerial Strategic Innovation Program / SIP-Japan)

Big Data / AI / ML Government Research Institutions

Academia Research Centers

Materials Genome Existing Scientific data

CALPHAD

Predicting and identifying the existence of new compounds

Deploying Advanced Structural Materials to solve industry challenges

Scientific Discovery Materials Engineering Design


About Discovery and Innovations

Il ne s’agit pas de chercher, il s’agit de trouver

(Director Baron / Ecole Centrale-Paris, 1970)

ICME technologies are focused on scientific bases / knowledge required to engineer needed products that generate funds

Engineering Innovations Scientific Discovery

funds spent on Big-Data, AI, ML are needed to amass the scientific bases for the discovery of new compounds


Thank for your attention


In order to effectively integrate various innovation resources such as universities and institutes in Beijing, and to establish a long-term mechanism for mutual promotion of research and applications, dynamic incorporation of science and technology innovation and talent cultivation, and the cooperative development of national and local institutions, Beijing city government decided to initiate a strategic program for establishing advanced innovation centers at universities in Beijing. At the first stage, approximately 20 centers and 50 projects were planes. In a five-year period, each center will be funded by 50 to 100 million Yuan per year. No less than 70% of the total funding should be spent on recruiting talents both international and domestically. The proposal of establishing “Beijing Advanced Innovation Center for Materials Genome Engineering” will be included in this initiative, and its application is led by the University of Science Technology Beijing.

Materials genome engineering is a research frontier, and popularization of its concept and method, emergence of novel materials therefrom and application of key resultant technologies, a revolutionary leap will be fulfilled for materials science and technology as well as the modern manufacturing industry.

accelerated design and deployment of advanced structural

Documents