hem ley com pres 2009

7/31/2019 Hem Ley Com Pres 2009

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Geophysical Laboratory/CDAC*Geophysical Laboratory/CDAC*

Carnegie Institution of WashingtonCarnegie Institution of Washington

Washington, DCWashington, DC

Russell J. HemleyRussell J. Hemley

*Carnegie/DOE Alliance Center*Carnegie/DOE Alliance Center

HighHigh--PressurePressure GeoscienceGeoscience::

New Tools andNew Tools and

Expanding OutreachExpanding Outreach


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Earths Interior: 1920

1.350.24

3.35

3.63

P(Mbar


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Jupiter


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Materials-based understanding of planetaryand astrophysical bodies

Planets and bodies outside our solar system New observations and space missions

Implications for life elsewhere in the universe

THE EARTH AND BEYOND


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Improved peformance in materials

Realize the potential of unexplored extremes

perform

ance

lifetime

TODAY

tran

sfor

mati

onal

mat

erials

FUNDAMENTAL

LIMIT

Materials Science

Impacts andOpportunities:

Pressures and temperatures

Energetic photon/particle fluxChemical extremes

Electromagnetic extremes

Multiple extremes


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The (Bridgman)

unsupported area seal

Challenge of Creating Earth Interior ConditionsChallenge of Creating Earth Interior Conditions

Geophysical Laboratory

Four Post Press 1910

The whole high-pressure field opened almost at once

before me, like the vision of a promised land, with thediscovery The Physics of High Pressure (1931).


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2 x 2.5 mmdiamonds

Radial

Axial

2 mm Be

Supp orting

sea ts

HighHigh--Pressure Technology:Pressure Technology:TOOLS FOR IN SITU MEASUREMENTSTOOLS FOR IN SITU MEASUREMENTS

Platinum

electrodesSample

Alumina

layer

Metallic

gasket

Platinum

electrodesI U


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History of X-ray SourcesEvolution ofEvolution of

Light SourcesLight Sources

XX--ray to infraredray to infrared

(diffraction limited)(diffraction limited)


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Dedicated beamline (SNAP)

>100 GPa neutron scattering

Higher brightness synch. Dynamic compression

Energy Recovery Linacs

Fourth Generation Sync.

SNS

A new generation of large facilities is coming on line

NeutronSources

Laser

Sources

X-raySources

NIF

Ultrahigh P-T conditions Static/dynamic

Stellar interiors

NSLS II

Magnetic compression Ultrahigh P-T conditions

Static/dynamic

Pulsed

Power

ZR

D D


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Only a small fraction of synchrotron advantageshas been tapped for high-pressure geoscience

Brilliance

High energy

Energy resolution

Spatial resolution

Temporal resolution

Polarization

Coherence

Rapid advances and

impacts in high pressure

Enormous potential to

be harnessed

As yet unexplored


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Selected Technical Grand Challenge Questions

Reaching higher P-T conditions (1 TPa and 1 eV)?

How small can we probe under extreme conditions (


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ROCK

METAL VOLATILES

Cosmic

AbundancesOVERVIEWOVERVIEWSELECTED TOOLSSELECTED TOOLS

XX--rayray

NeutronNeutron

Lasers/opticalLasers/optical

TransportTransport

Ex situ AnalyticalEx situ Analytical

HighHighPP--TTDevicesDevices


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2% higher density than pv Post-perovskite phase soaks up iron

Core-mantle reactions Double transitions in D

ppvppv--

(Mg,Fe)SiO(Mg,Fe)SiO33

Post-Modern Mineral Physicspost-perovskite


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Predicted breakdown of post-perovskite

at higher pressures (TPa range)

New phases and structures?

[Umemoto et al., Science(2006)]

Higher P-Tbehavior of post-perovskitephases and modeling super Earths

[Valencia et al., Icarus(2006)]

pt_all copy


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D But what is the post-

perovskite structure?

Cmcm Pmcm (Fe-rich)

[Yamanaka et al., submitted]

Structure depends on Fe content Fe spin/magnetic/electronic state Other components Core-mantle reactions

New high P-Tstructures continueto be documented: (Mg,Fe)SiO3 >120 GPa


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CCD

CCD

Infrared spectroscopy ofmicrodiamonds in zircon

Complex minerals at the nanoscale: beyond powderdiffraction, nanomineralogy, texture

[Dobrzhinetskaya et al., EPSL (2007)]

[Chen et al., PNAS (2003)]

New minerals, high-pressure forms of

chromite, discovered in shockedmeteorite & synthesized in DAC

Measurements with sub-10 nm beams Diffraction/spectral imaging


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Current state of the art: 200 nm focused x-ray beams

A

B

Observe 20 GPa/m Pgradiant

& peak-pressure in 1-m area

Separate submicronPt, Re, Fe samples

Single-crystal XRD onsubmicron powders

190 nm beam

5 m beam

[Wang et al., in preparation]


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Novel pressure-induced magnetictransition in magnetite

Magnetite: Fe3+A (Fe2+,Fe3+) BO4

4-ID-D beamline for XMCD

16-ID-D for XES 16-ID-B for Diffraction

E. R. Morris and Q. Williams, J. of Geophy. Res. 102,18139 (1997)

15GPa

XMCD XES

Magnetic transition

Structural anomaly

Electric resistivity anomalyEnergy calculationof HS-IS of Fe2+ inoctahedral site

[Ding et al., Phys. Rev. Lett. (2008)]

Importance of

multiple complementarytechniques


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Carnegie InstitutionCarnegie Institution

Nature of the dense fluid? Origin of the dynamo? Anisotropy and super-rotation?

Substructure (innermost inner core)?

The Earths Core:

Observations andQuestions


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Example of sodium at megabar pressures

[Gregoryanz et al., Science(2008)]

[Gregoryanz et al. Phys. Rev. Lett.. (2005)]

Structural complexity

Unusual melting relations


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X-ray diffraction of ironat 50 GPa: liquid structure

2650 35Kmolten

2420 40Kcrystalline

2540 55K

diffuse

scatteringappearing

IronGasket NaCl

laser

X-ray

-1

0

1

2

3

4

5

6

0 20 40 60 80 100

Liquid Iron

S(Q)

Q, 1/nm

27 GPa - 2585 K

42 GPa - 2680 K

50 GPa - 2650 K

58 GPa - 2975 K

1 bar, 1823 K, Waseda

.

= .

= .

= .

P

Extend to higher P-T

Complex alloys

[Shen et al. (2006)]


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Hydrogen:The most abundant element in the cosmos


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[Guillot et al. (2002)]

Outer planet interior structures?

Presence of a Jovian cores?

Hydrogen mixtures and reactivity?

ExtrasolarExtrasolarPlanetsPlanets

Hydrogen in massive planets

Jovian Planet InteriorsJovian Planet Interiors


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Pressure (GPa)

10 100

Temp

erature(K)

100

1000

10000

MOLECULAR SOLID

NONMOLECULARMETALLIC FLUID

I

II

III

Shock wave, Weir et al.

Scandolo, theory

Datchi et al., DAC

Gregoryanz et al., DAC

Hydrogen

Loubeyre et al., DAC

Bonev et al., theory

Orientationally ordered

Orientationally disordered

Magro et al., theory

MOLECULAR FLUID

Ross et al., theory

Triple point

Critical point

Quantumfluid

Phase diagram and continuing puzzlesof dense hydrogen

Critical Point?

[after Goncharov & Crowhurst,Phase Transtions(2007)]


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Predicted metallic superfluid in ultradense hydrogen

Combined P-T-H? Can we create and

image these structures?


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Diamond windowopaque above 5 eV

Q dependence

Scatter into excitedstates

Pressure dependence of bonding andelectronic structure probed by inelastic x-ray scattering

0-100 meV

5-50 eV

0.05-100 keV

2 x 2.5 mmdiamonds

Radial

Axial

2 mm Be

Suppo rting

se a t s

GROUND STATEVIBRATIONAL STATE

ELECTRONIC STATE

(K-edge, Band Gap)

OPTICAL

X-RAY

[Meng et al., PNAS(2008)]

Origin of unusual bonding

in dense oxygen


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Excitons and band gap of He by x-ray spectroscopy

0

1

2

3

4

5

6

7

8

15 25 35

130 deg

110 deg

90 deg

85 deg

80 deg

75 deg

70 deg

65 deg

60 deg55 deg

50 deg

45 deg

40 deg

35 deg

30 deg

25 deg

He at 11.9 GPa, E0=9.693 keV

IXS experiment Theory (E Shirley)

hcp 4He at threefold compression

shows excitons at ~25 and 28 eV.

25-eV exciton -- strong qdependent of intensity and

position

28-eV exciton -- no dispersion.

band structure calculation

reproduced the electronic

excitations.

He 1s2 1s2p (1P) transition hasan upward energy shift due to

overlap of the excited 2p orbitalwith electron wave functions of

the surrounding He.

[Mao et al, to be published]

Extend to higher pressuresand other systems


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[Lin et al. GRL (2005); Goncharov et al., Phys. Rev.Lett., (2005); Goldman et al. Phys. Rev. Lett. (2005]]

Novel behavior of high-density H2O ice

~ 2000 K~10 GPa

~5000 K

~300 GPa

~ 7000 K

800 GPa

~ 70 K~0.1 MPa

Pressure-inducedfreezing: solid ice

layers?

Mobile protonscontribute the

magnetic field?

Direct measurements of

conductivity X-ray spectroscopy

Megabar neutron scattering

Th t iti f t di


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Spallation Neutrons

and Pressure (SNAP)beam line at the

Spallation NeutronSource (SNS)

There are new opportunities for extending

neutron studies at high pressures

LAUE DIFFRACTION

(1,1,1)

(0,4,10)(1,7

,15)(3,5,11)

(3,5,

7) (2,4,14)

(3,7,7)

(0,8

,12)

(0,2,12)

(1,1,5)

(1,1,3)

(0,0,2)

(0,6,14)

(-1,1,7)

[Courtesy of Gene Ice]

100x gain with neutron K-Bs

Combine with 10x flux SNSand >100x sample volume

Mixing hydrogen and water produces still additional


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Mixing hydrogen and water produces still additional

phases: clathrates and hydrogen-filled ices

Means for H2 incorporation ingrowing planetary bodies?

Hydrogen storage material?

H2

H2ODECOMPRESSION

[W. Mao et al. Science(2002);Lokshin et al. Phys. Rev. Lett.

(2004)]

[Vos et al. Phys. Rev. Lett.(1993)]


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Methane Clathrate Hydrates

sHsIIsI

Transformations under Pressure (


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Can methane can formCan methane can form abiogenicallyabiogenically

in terrestrial mantles?in terrestrial mantles?

CaCO3,

FeO,H2O

C h fC th f bi i llbi i ll


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Can methane can formCan methane can form abiogenicallyabiogenically

in terrestrial mantles?in terrestrial mantles?Formation of

Methane at 5 GPaC-H

Stretch

IceVII

Post Laser

Heating

CaCO3 + FeO + H2O CH4 + CaO + Fe3O4

[Scott et al. PNAS(2004)]

CaCO3,

FeO,H2O

Raman Shift (cm-1

)

400 800 1200 1600

C3H

8

C2H

6

C4H

10

C

H2

C2H

6

C3H

8

CH4 1.9 GPa

C2H6 3.3 GPa

H2 2 GPa

H2

CH4 products

Au/B2 GPa

4 GPa

CH4 products

W/Ir5 GPa

2.5 GPa

(c)

[Kolesnikov et al., submitted]

LaserHeatingMethane


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Exploring surface chemistry under pressure

lasershockpulse

SFG probeall-trans

gauche

-defects

delay time (ps)

vibrationalresponsefunction

(a) 25 J0 20 40 60 80 100

0.0

0.5

1.0

(d) 200 J

0 20 40 60 80 100

0.0

0.5

1.0

(b) 50 J

0 20 40 60 80 1000.0

0.5

1.0

sas

(c) 100 J

0 20 40 60 80 100

0.0

0.5

1.0

large

rtiltangleelastic

recovery

gauchedefectscreated

Chemistry of interfaces underpressure

Non-linear optics (sumfrequency generation) Combined static/dynamic

[Patterson et al., Phys. Rev.Lett., (2007); Dlott et al., to bepublished;

Opening up a new field ofexploring interfaces, grainboundaries, and

heterogeneous materialsunder pressure

Di t b ti d t t th t


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VIABILITY UP TO 1.6 GPa (300 K):VIABILITY UP TO 1.6 GPa (300 K):

Coexistence with Ice VICoexistence with Ice VI

FormateFormate

RamanRaman

SpectroscopySpectroscopy

[Sharma, et al.Science(2002)]

Direct observations demonstrate thatmicrobial life can persist at extreme pressures

Life in ice at 1400 MPa (14 kbar)

Shewanella MR1

AMBIENT

Viabilit depends on species and strains


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Viability depends on species and strainsand unusual morphology changes are observed

A

C

B

Pressurized E.colielongate (A), divide

upon depressurization(B) and finally returnto normal size (C).

[Griffin et al., to bepublished]

Not all microbes

respond alike.

X-ray imaging of

subcellular structure

These findings require new probes ofThese findings require new probes of


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High-pressuregenomics/proteomics

Directed evolution

Single CrystalDiffraction of CowPea Mosaic Virus

[Lin et al., Acta Cryst. D(2005)]

[afterBartlett, Sloan Workshop(2008)]

These findings require new probes ofThese findings require new probes of

structurestructure--property relations inproperty relations in biomoleculesbiomolecules

[Fourme et al. (2002)]

Lysozyme

Ambient 7 kbar

We are exploring only a limited


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H2

Theoretical Predictions

UNCHARTED TERRITORY

[Ichimura,

Phys. Reports(1995)]

We are exploring only a limited

domain of P-Tspace

Higher pressures(1 TPa or 10 Mbar) andtemperatures (>1 eV)

Larger sample

volumes needed (x-ray

inelastic scattering,imaging THz spectra

>100 GPa)

Further improveaccuracy/precisionand applications of

multiple simultaneous

Combinedstatic/dynamiccompression (100

TPa; and >100 eV)

Using nanobeams to measure anvil


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4 m

[Hemley et al., Science (1997)

5 m resolution

[W. Mao, et al. to be published]

30 nm resolution

Xradia nanoscope with 30 nm resolutionSSRL Beamline 6-2

Using nanobeams to measure anvilnanostrains and optimize pressure

E di h


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Very high-temperaturelaser heating

[Xu et al., to be published]

Temperature from Spectral Radiometry (3 GPa)

DFT MD Simulations

[Correa, Bonev, & Galli,PNAS(2006)]

Temperature calibration

Role of first principles

theory Molten Carbon at ~9000 K

Expanding the temperature range


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Time resolved IR reflectivity at U2A (NSLS)

for temperature calibration (to 8 GPa)

Sandia, WSU gas-gun[Dolan et al., to be published]

Dynamic compression: first synchrotron measurements


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Sandia, WSU gas-gun[Dolan et al., to be published]


X-ray diffraction of shock compressedsimple metals to 20 GPa at HPCAT (APS)

WSU powder gun[Gupta et al., to be published]


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X-ray diffraction of shock compressedsimple metals to 20 GPa at HPCAT (APS)

Polycrystals/fluids? Higher P-T conditions? Dedicated beamlines?

Future prospects:time-resolved diffraction; single shot

diffraction (at 1012 photons/pulse);in situ3D characterization,

chemical characterization, andimaging of defects/dislocations

Simulated coherentdiffractive imaging of shockfront (50 nm resolution)

Materials studies with shocks and


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Materials studies with shocks andisentropic compression techniques

- Hydrogen and Helium at TPa- Fast Ramp Wave Loading

- Core electron chemistry- Rigidity at TPa conditions

- Going beyond the EOS- Wave-velocities in super-giant planets

- Gigabar Pressures

Combined static/dynamic compression

Ultra-fast diagnostics

Continued advances in static high P-Ttechniques


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g q

Large CVD diamonds[Meng et al., PNAS(2008)]

25 mm

0.25 ct

100 c t

Prototype CVD diamond production reactor at Carnegie


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yp p g

Multiple diamonds

growing (MSU

Smart diamond anvil devices


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Shinji MATSUI http://www.nanonet.go.jp/english/mailmag/2006/files/086a1.jpg

[Struzhkin,Cuk, Shen,

Rotundu, Greeneto be published]

[Vohra and Weir (2002)]

Optical and X-ray applications of CVD diamond


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380 m

X-ray lenses fabricatedfrom polycrystalline

CVD diamond. Singlecrystal material isneeded for improvedoptical and mechanical

properties.

High quality CVD single-crystal diamondas large as 18 mm and 15 carats have

been produced.

X-ray topography of measured atAPS (above) and synchrotron IR

absorption at NSLS.

[Evans-Lutterrodt &

Isakovic, to be published]Carnegie InstitutionCarnegie Institution

Stokes and anti-Stokes stimulated Raman spectra of ~670-mSC-CVD diamond with picosecond laser pumping at 0.53207m

and 1.06415m wavelengths.

The Deep Carbon Cycle

The Deep Carbon CycleThe Deep Carbon Cycle


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The Deep Carbon CycleThe Deep Carbon CycleThe Deep Carbon Cycle

We need fundamental advancesin understanding Earths deepcarbon cycle:

Where is the deep carbon & howmuch is there?

How does carbon move betweenreservoirs?

Is there a deep source of organics?

What is the nature and extent ofdeep microbial life?




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To tackle fundamental needs and opportunities in fiveinterrelated aspects of deep carbon cycle research:

- Carbon reservoirs

- Carbon fluxes

- Abiotic organic synthesis

- Deep microbial life- Interactions between the deep and surface carbon cycles

Major international academic/government/industrialcollaboration

Proposal to be submitted in April 2009 to the A. P. SloanFoundation (~$25 M/five years)

The Deep Carbon Observatory





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DECADE: Deep Earth Carbon Abundanceand Distribution Experiment

CINDEE: Carbon IN Deep Earth

ExperimentDEOSS: Deep Earth Organic Synthesis and

Stability

DECIMAL: Deep Earth Carbon Interface

with Microbial Activity LimitsSIDEC: Surface Interface with Deep Earth

Carbon

Deep Carbon Observatory DECADE1 CINDEE2 DEOSS3

DECIMAL4 SIDEC5High-resolution Mass

Spectrometer

Ultra-Carbon

MicroscopeSTEM

Integrated ToF/SIMS/

Raman/FIB

Advanced Carbon

Spectroscopy

High P-TInstrumentation

ComputationalFacilities

The Deep Carbon Observatory


CONCLUSIONS AND PERSPECTIVESCONCLUSIONS AND PERSPECTIVES


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CONCLUSIONS AND PERSPECTIVESCONCLUSIONS AND PERSPECTIVES

1. Numerous new tools are coming on line that willallow us to tackle a broad range of problems inhigh-pressure geoscience.

2. These tools span a range of scales, from benchtopdevices to major national facilities.

3. There is potential impacts beyond geoscience to thefields that span the physical and biologicalsciences.

4. The new Deep Carbon initiative represents a newopportunity for this community.


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Extreme pressures and temperatures


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Carnegie Institution

hem ley com pres 2009

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