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S1SP ARA0127-1 Modeling Challenges on Modeling Challenges on Reactive Structural Materials: Reactive Structural Materials: Congressional Plus Congressional Plus - - Up HECE Up HECE Phase II Phase II Kibong Kim Kibong Kim

Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Page 1: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

S1SP ARA0127-1

Modeling Challenges onModeling Challenges onReactive Structural Materials:Reactive Structural Materials:Congressional PlusCongressional Plus--Up HECE Up HECE Phase IIPhase II

Kibong KimKibong Kim

Page 2: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

Expanding the Realm of Possibility

2

Requirement: Agent DefeatRequirement: Agent Defeat

Complete neutralization of chemical or biological agents, within and without the enemy target structure

Page 3: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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• Outer Diameter: 31.5 in.• Inner Diameter: 24.5 in.• Total weight: 27,684 lbs• Explosive Wt: 5386 lbs

Requirement: Hard Target DefeatRequirement: Hard Target Defeat

A

B

~75 ft. spacing

Weapon

Inward Facing Door

B

Enter and/or penetrate into hard targets to cause

severe inside blast damage

Representative Target

Page 4: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Issues Issues –– Technical ChallengesTechnical Challenges

Agent Defeat (AD)Demonstrated improved, but insufficient answer to collateral effects problemStill hasn’t addressed tougher problems: Large targets, complex targets, mobile or above ground targets

More powerful energetic material is needed for thermaleffects, plus biocidal effects

Hard Target Defeat (HTD)Not enough blast energy is projected in current weapon concepts

More powerful energetic material is needed for blasteffects

Reduce kinetic energy of warhead fragments

Page 5: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Proposed SolutionsProposed Solutions-- A Congressional PlusA Congressional Plus--upupDevelop more powerful energetics, Guided by M&S

Develop thermobarics, reactive structural materials, thermobaric high temperature incendiaries, new weapon concepts

1st year: Payloads with TNT detonation energy times 5 or 6Funded in FY08

2nd year: Reactive structural materials and bring the energy level to 10 times TNT detonation energy

Proposed for FY093rd year: Agent defeat payloads and Warhead concepts

To be proposed for FY10

Page 6: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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HECE Phase I: ThermobaricsHECE Phase I: Thermobarics

Time [s]

Pres

sure

[dyn

es/c

m^2

]

0 0.01 0.02 0.03 0.04 0.05 0.06 0.07 0.08 0.09 0.1-2.0E+6 0

0.0E+0 8000

2.0E+6 16000

4.0E+6 24000

6.0E+6 32000

8.0E+6 40000

1.0E+7 48000

1.2E+7 56000

1.4E+7 64000

If we use nano-energetics, ---

Say, Tign = 1300K

We are working on it now. Any help is welcome.

Page 7: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Inert case is parasitic at target:50 – 85% of munition weight is metal caseFurther, 50% or more of remaining explosive output energy is lost to case fragments and not available for blast

BLU-109/B XM 982 (Unitary)

HECE Phase II: HECE Phase II: Reactive Structural Materials (RSM)Reactive Structural Materials (RSM)

Page 8: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Energy Goal of RSM on WarheadAn additional 4,000~5,000 cal for 1 g casing (out of potential 5,000-14,000 cal) to be added

Balance between energy, strength and densityQuick breakup and ignition/combustion of casingLess loss to fragment kinetic energy to be translated into blast or thermal energy

10001.65H2O, CO2TNT

16981.68H2O, CO2, Al2O3PBXN-109

15241.9H2O, CO2HMX

47144.5TiO2Ti

74222.7Al2O3Al

139702.47B2O3B

Q, cal/g of metal

ρ, g/cm3

(metal)oxidesMetal oxidation, Explosive detonation

Page 9: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Systematic ApproachSystematic ApproachHow do we optimize it?

Do we have good ingredients?How do we formulate new RSM with these ingredients? How do we predict performance so that we can convince warfighters that we can do targeteering?

Need for a roadmap for M&S capability

Page 10: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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What are Good Potential Candidates?What are Good Potential Candidates?Fuel rich with high energy contentPrompt shock initiation of anaerobic chemical reaction

Mechanical deformation create hot spotsHot spots immediate local reactionPropagation of chemical reaction other regions

Controlling mechanisms (mass diffusion, etc?)Frangibility of reacted materials (as a new fuel) for further aerobic reaction

Easy ignitability of fuel (droplets/particles/gasses)Fast enough burn rate of fuelOptimum droplet/particle size for better mixing with air

Page 11: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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RMRM--4 as RSM?4 as RSM?Investigated extensively for reactive fragmentsUnsuitable for RSM

Reaction doesn’t start when explosively launchedFluorine in Teflon is an oxidizer, reducing fuel potential of RSM – a minor shortcoming

Impact-to-reaction performance observed, but details never investigated/understood

Very broad-brush phenomenology modeling onlyNo detailed understanding from mechanical behavior to chemical reactionNot much of a help as a lead to other formulations

Page 12: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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A Better ExampleA Better Example

Start with MnO2 – Al powders in epoxy as a casingHas shown blast improvementIs it optimal? .. No.

Shock

Page 13: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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MechanoMechano--ThermoThermo--Chemical Chemical ProcessProcess

Shock wave from leftGrinding of one particle against anotherPlastic shear deformationLocalized heatingLocalized thermitic reaction?Further local heatingHeat transfer to other parts of particlesMelting?Material diffusion

To be continued

Page 14: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Further ProcessesFurther Processes

Diffusion controlled reactionHeating of epoxyFragmentation or dissociation of epoxyRecombination reaction of dissociation products of epoxyAl or Mn (produced during thermitic reaction) particle reaction with dissociation products such as H2O or CO2Further heating of epoxy fragments/dissociation productsAcceleration and separation of thermite powders (aggregates?) and epoxy fragments/dissociation productsTurbulent mixing with ambient airHeating and ignition of Al or Mn particles (or aggregates) and gasified epoxy, epoxy dissociation product gas or solid epoxy fragmentsCombustion of these fuels

Page 15: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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NareshNaresh ThadaniThadani MesoscaleMesoscale Simulation Simulation (showing mechanical deformation at high porosity)(showing mechanical deformation at high porosity)

Al flattening

Al vortex motion

Page 16: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Two Main Observations on the Two Main Observations on the Epoxy Formulation and in GeneralEpoxy Formulation and in General

Inefficient reactionCondensed phase material diffusion controls the overall reaction processDoubtful if the reaction can be effected in the short time scale of blast applications

Difficulty in modelingSo many possible pathways of uncertain strengthsEven a vague understanding would be expensive

Page 17: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Desired Efficient FormulationsDesired Efficient Formulations

Ignition and burn characteristics can be enhanced?Would porosity enhance the first step?What types of manufacturing processes are available?Fragment (flying out) size can be controlled?Nano-energetics?

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NanoNano--Energetics?Energetics?

Possibilities from nano-energeticsImprovement of ignition kinetics (connected with condensed phase reaction kinetics) - both issues are to be affected by nano-scale mixingStrength and porosity of consolidated reactive materials (effect of nano-sized or nano-structured components)Mechanical initiations of energetic formulations: mechanisms need to be understood, nano-sized particles/domains can behave very differently (better?) compared to micron-sized ones

Page 19: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Can some of the above processes be manipulated?Material diffusion time eliminated (premixed at nano-scale)?Ignition assured and delay time shortened (enhanced reactivity)?Burn rates accelerated, (or delayed – Phase III)?Fragmentation pattern dictated (gas generators as binder?)?Control of porosity?

More efficient M&S capability?Can a clear (easier) road map be constructed?

Can some of the processes can be approximated or eliminated (e.g. infinite rate of kinetics or diffusion)?

Need help

NanoNano--energetics?energetics?

Page 20: Modeling Challenges on Reactive Structural Materials ...coesdytse/NanoE-Workshop2008/Kim.pdf · Reactive Structural Materials: Congressional Plus-Up HECE ... zNot enough blast energy

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Phase III Phase III –– Agent Defeat Payloads Agent Defeat Payloads and Warhead Conceptsand Warhead Concepts

Payload and reactive casing burning in a localized volume (a couple of hundred feet radius) surrounding a target structure for a sustained period (a few seconds)

Maximum energy from Phase I and Phase IIFuel particle size control for balance between buoyancy and gravity, and for adequate limited rangeEnhanced agent neutralization capability by introduction of Cl or F compounds

Will need help