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Materials Engineering & ManufacturingOverview of Research Activities and CapabilitiesDavid E. AlmanAssociate Director for Materials Engineering & Manufacturing, Research and Innovation Center, National Energy Technology Laboratory, 1450 Queen Ave. S.W., Albany OR 97321, USA, www.netl.doe.govOffice: (541) 967-5885, Mobile: (541) 979-7007, Email: [email protected]
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Materials Engineering & Manufacturing
Technology Deployment
Manufacturing
Lab Evaluations at Condition Field Trials
CharacterizationDesign & Synthesis
Science & Discovery
Atomistic Design and Discovery to Pilot Plant Demonstrations
BIAS SORBENT 2012 R&D 100 Award
Materials solutions to enable efficient and effective power cycles and resource recovery
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Materials Engineering & Manufacturing
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Integrated Alloy Development ApproachNETL: “From Concepts to Realization”
DFT and CALPHAD used to guide the optimization of alloy composition.
Outcome: NETL CPJ-7, New Fe-9Cr Alloy with an Increase Temperature
Capability of ∼ 50o F for this important class of power plant steel.
NETL’s computational toolsused to guide heat-treatingcycles to optimize the alloy’smicrostructure and properties.
Change in Enthalpy of Formation
Example Fe-9Cr Streel
J.A. Hawk, P.D. Jablonski & C. Cowen, Creep Resistant High Temperature Martensitic Steel, US Patent 9,181,597 B1 (11/10/2015).
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Materials in Extreme EnvironmentsDetermine & Predict Effect of Environment on Materials Performance
IN625: Mechanism Change
IN740: Modest Increase
Oxidation of Alloys in USC Steam Environments
Current focus materials for sCO2 power cycles
Fire Side Corrosion of Alloys in Oxyfuel Combustion Environments
TP347 700°C
Air Fired
Oxy, FGD 9% H2O
Oxy, FGD 20% H2O
Oxy No FGD
240 Hr
Oxidizing
480 Hr Oxidizing
720 Hr Oxidizing
960 Hr Oxidizing
1200 Hr Oxidizing
TP347H (Oxy FGD 20% H2O) 240hr at 700°C CO2+8%N2+20%H2O+2.5%O2+0.3%SO2
Environmental Resistance gaseous (oxidation) and hot corrosion Lab experiments that simulate real world conditions
Mechanical Performance (Creep, Fatigue and Fracture Resistance)
Microstructural analysis to determine strengthening mechanism
Simulations for service life predictionsPhase Field Simulation: γ/ Coarsening in H282
Model predicts lower γ / coarsening rate with increasing Ti/Al ratio. Experimentally validated through 20,000h
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Materials in Extreme Environments
1E-3 0.01 0.1 1
1E-6
1E-5
1E-4
∆K = 13.97ksi√in, R = 0.13
∆K = 20ksi√in, R = 0.13A = 2.3e-6
∆K = 28.7ksi√in, R = 0.13A = 4.88e-6
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∆K = 10ksi√in, R = 0.5A = 2.5e-6
da/dN - pH2S = 0.12psia da/dN - pH2S = 0.12psia da/dN - pH2S = 1.2psia da/dN - pH2S = 0.12psia - Coated
da/d
N (in
/cyc
le)
f (Hz)
∆K = 28.7ksi√in, R = 0.13A = 6.88e-6
pH = 7RT
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Effect of H2S on FCGR of Alloys for UDWwith DNV
0 25000 50000 75000 100000 125000 150000 175000 2000000
25000
50000
75000
100000
125000
150000
175000
200000
unaged peened, 200µm unaged peened, 500µm unaged peened, 1000µm
-Z"
Z'Effect of Surface Treatments
With WVUCorrosion of Casings in Cement
with PSU
S/N behavior of candidate riser alloys with SwRI
Sensor Developmentwith PSU
Performance Simulationwith PSU
Reliability & Mitigation: Alloys
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Materials in Extreme EnvironmentsReliability & Mitigation: Foamed Cements Characterization & Development
The Chief Counsel’s Report (2011) about the Macondo incident (stated: “The root technical cause of the blowout is now clear: The CEMENT that BP and Halliburton pumped to the bottom of the well failed to isolate hydrocarbons in the formation from the wellbore—that is, it did not accomplish zonal isolation.”
CT Scanning
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Modular Systems Materials & ManufacturingAdvanced Manufacturing
Materials Selection: Corrosive & Erosive Resistant, ASME Code Compliant
Easy to: apply environmental
barrier select ASME code
compliant material
Modular System
Barrier
BarrierMetal
Modular does not necessary mean small or complex geometry – but smaller than traditional approaches
Multiple materials over reactor typology
“Traditional”
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Electronic Ceramics for SOFCMaterials and structures to further enhance cost-competitiveness and durability of SOFC cells and stacks
400 µm
Development of robust electro-chemical materials for the efficient activation and transport
Computational & Characterization tools
Materials & Process Development
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Harsh Environment SensorsImprove efficiency, operational flexibility & system reliability
Composite Nanomaterials, Thin Films & Fiber Optics Development for Harsh Environment Sensing Devices & Platforms Monitor Environment (T,P) Monitor System Health (e,g., corrosion
sensors) Power Generation & Subsurface
Applications
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“Atomistic-scale” Engineering of Catalyst Performance“Nano-alloy” CO2 Conversion Catalyst by Design
Materials synthesis and synchrotron X-ray characterization
Computational modeling provides atomic-level details
and energetics
Performance testing quantifies CO2 conversion
vs. alloy composition
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Gas Separation: Oxygen Carriers for CLCProduction of syngas from methane with metal ferrites
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Gas Separation: Oxygen Carriers for CLCMixed Metal Oxides Development
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Gas Separation MaterialsPolymers, Composites, Metals & Ceramics: CO2 capture, O2 generation, H2 separation
0
100
200
300
0 5 10 15 20
Pressure, atm
CO
2 Ads
orbe
d, m
g/g
Small Pores
Large Pores
Flexible Pores
Rigid Pores
M[Ni(CN)4]n
Testing Computational Predictions
Designing NewCO2 Sorbents
0 10 20 30 40 500
1
2
3
4
Symbols: experimentsLines: simulations
298 K175 K
Exce
ss A
dsor
ptio
n (w
t%)
Pressure (bar)
87 K
NETL’s Pillared Cyanonickelate (PICNIC) MOF Sorbent Platform
Mixed Matrix Membrane Development
Performance EvaluationAt National Carbon Capture Center
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Alloy Fabrication Capabilities for Mission Critical Applications
Melt Processing Capabilities• Air Induction Melting: 300 lbs• Vacuum Induction Melting: 300 lbs• Vacuum Arc Remelt/Electro-Slag Remelt: 3 to
8 inch diameter cruciblesThermo-Mechanical Processing Capabilities• Heat-treatment furnaces:1500oC, inert
atmospheres and controlled cooling.• Press Forge: 500 Ton• Roll mills: 2 and 4 high configurations.
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NETL Severe Environment Corrosion Erosion Research Facility • Unique modular laboratory for evaluating the hot-corrosion and
erosion of materials in hostile atmospheres.• Safety Integrated System to allow for safe 24/7 unattended
operations.• Gas environment tailored by mixing with programmable mass flow
controllers. • Available gases: CO, CO2, CH4, H2, H2S, SO2, HCl, O2, N2, He, air,
H2O vapor.• Maximum temperature: furnaces: 1600oC; erosion rig: 750oC• Gas flow rates: 5-1600 ml/min (depending on gas).• Modules for conducting simultaneous experiments under different
conditionsMaterials Performance in Supercritical Fluids at Elevated Temperatures • Ultra-super-critical (USC) Steam Autoclave: Dual rated: 310 bar at 760oC
and 345 bar at 746oC. System to control steam chemistry (dissolved oxygen). Computer controlled for 24/7 unattended operations. Supercritical CO2 Autoclave: rated at 800oC and 275bar
• Corrosion & Oxidation Laboratories : Potentiostats, Galvanostats , Electrochemical Impedance Spectroscopy. Static and cyclical oxidation furnaces for 24/7 exposures to O2, H2O vapor, CO2
• High Pressure Immersion and Reactive Transport (HiPIRT) Laboratory: Autoclaves (5000psi-250oC), Flow Through Autoclaves (5000psi-500oC), Rocking Autoclave (7250psi-400oC). CO2 O2, SO2, H2S.
Fracture Mechanics and Creep Laboratory• Screw driven & servo-hydraulic frames for strength and fatigue (max.
load 1000 kn). Constant stress & strain load frames for creep testing.
Materials Performance in Extreme Environments
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Facilities for Fuel Cell ResearchSOFCEL
(Single cell testing)DOE FC stand
(Planar, A=16cm2)MCA
(Multi-cell array)The DOE Fuel Cell Test Facility, has been designed and constructed for the purpose of testing 3 to 30 kW fuel cell systems developed by the NETL sponsored developers, such as those in the Solid State Energy Conversion Alliance (SECA) program.
Active electrode area = 16 cm2
Sealing/separator: glass ceramics / mica Spinel coating on interconnect alloy
MCA (Multi-Cell Array) is a parallel-cell testing system installed at the NETL Morgantown, WV site, which has a capacity to test up to 12 button cells (dia. = 25–28 mm) in a parallel cell array connected to common fuel and air manifolds.
Single cell stand is utilized to test button-type fuel cells (active electrode area = 2 cm2). The system is designed to be readily engaged in various control systems and analyzing systems. Therefore, the system is adequate in analyzing fundamental properties of fuel cells.
Active electrode area = 2 cm2
Sealing/separator: mica Attachment: High steam generator,
GC etc.
FC setup configuration
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Sensor Materials Manufacturing & EvaluationCapabilities for Sensor Material and Device Development and Optimization for Harsh Environment Applications.
Custom Sensor Development Reactors
Optical Fiber Fabrication
Custom Sensor Development Reactors Simulate: Power Generation and Combustion Systems Subsurface / Geological Environments Pressurized Gas and Oil-Based Systems Processing of thin film and nano-composites.
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Material Synthesis Capabilities Colloidal Nanomaterials Synthesis:
Inorganic-organic Hybrid Materials Synthesis:
Inorganic Solid State Materials Synthesis:High-Temperature Solid-State Precipitation/Co-precipitation Sol-Gel Methods
(perovskites, delafossites) (layered hydroxides) (high surface area complex oxides)
Solvothermal & Flux Methods
(single crystal growth)
Single Metal ParticlesSmall Alloy ParticlesCore-Shell / Janus
Crooks Templating Methods
(metals, alloys, sub 2nm)
Seeded Growth Techniques
(shape controlled, heterostructures)
Hot Pyrolysis Injection
(metal-semiconductor, plasmonics, heterostructures)
Porous Materials Synthesis
(MOFs, COFs, porous coordination)
x x x x
xxx
y y y y
yyy
Surface Ligand Design & Exchange
(controlled hydrophobicity of particles)
Synthesis of Novel Organic MOF linkers
R
N
N
R
N
N
RCH3CF3FNH2C(O)HC(O)OCH3CH2NH2
(MOFs, COFs, porous coordination)
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Surface Science and Analysis Capabilities
LEEDIn SituEvaporator
ImagingXPS Ion Scattering
TPD
Custom Rxn Cell
Atomic Resolution STM
UPS
Atomic Resolution AFM
Surface StructureSurf
ace
Reac
tions
Surface Composition
• 4 dedicated surface chambers• Quantitative STM & single molecule studies• Well integrated w/NETL comp chem groups
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Computational Materials Science Capabilities
Ab Initio Molecular Orbital
Calculations
Classical MD & Equilibrium and Kinetic Monte Carlo
Simulations in Various Statistical Ensembles
Gaussian MolproTurbomoleQ-Chem, Dmol
Castep, VASP, Wien03, Dmol3, Siesta, PWSCF, CP2K, CPMD
MicrokineticsPhase-Field COMSOL CALPHAD
Length Scales
Met
hods MK, Microstructure
Phase Evolution Continuum Modeling
NAMD, GULP DL-POLY, LAMMPS, Compass, ReaxFF, in-house MD/MC
Å nm µm
Classical Mechanics Based Simulation
Capability
Meso-Scale Based Simulation Capability
Quantum Mechanics Based Simulation
Capability
Data
M
anag
emen
t
DFT Calculations for Systems with 1D/2D/3D PBC
Data Visualization, Analysis & Processing Data Archiving and Security
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Recent MEM Successes
Thick Wall Superalloy CastingsNETL’s CALPHAD Based Computational Tool to Specify Homogenization Heat-Treatments Enabling technology for Advanced Ultra-Super Critical Steam (A-USC) Turbines
Proven in industry casting for A-USC turbine components• Metaltek Step Block (300 lb): 1130°C/3 h + 1200°C/3
h + 1210°C/14 h• Flowserve Step Block (1000 lb): 1100°C/6 h +
1200°C/48 h• Special Metals ESR/VAR (10,000 lb): 1133°C/4 h +
1190°C/8 h + 1223°C/30 h• GE: ½ actual size valve body for an A-USC turbine
(18,500 lb casting)
Computational simulations specified heat-treating schedules.
Designed to match existing furnace capability at commercial heat-treating facility!
Multifunctional Contaminant Removal Sorbents to Improve Air
QualitySpecialized, patented sorbents developed by the
NETL in cooperation with enVerid Systems.
• Selectively remove carbon dioxide and volatile organic compounds from the indoor air.
• Avoid need for warm outside air, module can reduce energy consumption by >20 percent
• The system can be retrofitted onto a wide variety of existing HVAC systems
enVerid Systems HLR® module
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Materials Engineering & ManufacturingContacts
David E. AlmanAssociate Director Materials Engineering & Manufacturing(541) [email protected]
Steven W. RichardsonSupervisor, Computational Materials Engineering Team(304) [email protected]
James C. Fisher Supervisor, Functional Materials Team(304) [email protected]
Marisa D. Arnold (Stuart)Supervisor, Structural Materials Team(541) [email protected]
Donald V. MartelloSupervisor, Materials Characterization Team(412) [email protected]
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