russell j. hemley- carnegie/doe alliance center: a center of excellence for high pressure science...

8/3/2019 Russell J. Hemley- Carnegie/DOE Alliance Center: A Center of Excellence for High Pressure Science and Technology

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CDAC

CDACCARNEGIE / DOE ALLIANCE CENTER:A Center of Excellence forHigh Pressure Science and Technology

Russell J. HemleySSAA Program SymposiumCarnegie Institution

Jan. 20-22, 2010


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CDACOUTLINE

I. Overview of CenterMOTIVATION

TECHNIQUES

EDUCATION, TRAINING, OUTREACH

II. Selected Science

NEW METALS PHYSICSNOVEL COMPOUNDSLIQUIDS/AMORPH.CHEMISTRYLOW-Z SYSTEMS

III. TechnicalDevelopments

INSTRUMENTATION

FACILITIES

IV. Conclusions


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CDAC

Extreme environments is opening upa new world of materials behavior

1. OVERVIEW


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CDAC

Understanding materials under extreme environmentsis central to the NNSA science mission

H2

Hydriding reactionsTATB

1. OVERVIEW

Pu

Mission of CDACDevelop techniques and training toexamine the full complement of highP-Tmaterials problems essential for

stewardship science.


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CDACAcademic Partners

CARNEGIE INST. (Hemley, H. K. Mao)UNIV. ALABAMA -BIRMINGHAM (Vohra)

UNIV. CALIF. - BERKELEY (Wenk & Jeanloz)

UNIV. CHICAGO (Heinz)

UNIV. ILLINOIS (Dlott & Li)

CALTECH (Fultz)

PRINCETON UNIV. (Duffy)

NEW MEXICO STATE/YALE UNIV. (Lee)FLORIDA INTERNATIONAL UNIV. (Saxena)

TEXAS TECH (Ma)

UNIV. NEVADA - RENO (Chandra)

ARIZONA STATE UNIV. (Yarger)

UCLA (Kavner)

NORTHWESTERN UNIV. (Jacobsen)

OHIO STATE UNIV. (Panero)WASHINGTON UNIV. ST. LOUIS (Schilling)

UNIV. ARIZONA (Downs)

STANFORD UNIV. (W. Mao)

Academic CollaboratorsFACILITY USERS

NNSA Laboratory PartnersALL HIGH P-T GROUPS AT LLNL, LANL, SNL

Components of the Center 1. OVERVIEW


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CDAC

Carnegie/Partner facilities:High P-T technologySpectroscopy labsDiffraction and microanalysisComputational resourcesCVD diamond growth

CDAC manages and coordinates activities at

maj

or facilities for high P-Tresearch

High-Pressure Beam line

IR

1. OVERVIEW

High P-T neutronscattering at

LANSCE

Sciencecampaigns

at NIF

Dedicated high-pressure synchrotroninfrared beamline at the NSLS (U2A)

Technique development/supportfor unique facilities at NNSA Labs


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CDAC

High-Pressure CollaborativeAccess Team (HPCAT)Carnegie Inst./Livermore Nat. Lab./Univ. Nevada Las Vegas/Univ. HawaiiCDAC (Lab and Academic)is a 30% Member 9 hutches 4 independentlyoperating

support labDOE NNSA/SC

Partnership

CDAC supports high P-Tfacilities

and activities at the Advanced Photon Source

1. OVERVIEW


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CDAC

High-Pressure CollaborativeAccess Team (HPCAT)Carnegie Inst./Livermore Nat. Lab./Univ. Nevada Las Vegas/Univ. HawaiiCDAC (Lab and Academic)is a 30% Member 9 hutches 4 independentlyoperating

support labDOE NNSA/SC

Partnership

CDAC supports high P-Tfacilities

and activities at the Advanced Photon Source

1. OVERVIEW

GSECARS

HPSynC
http:///Cordelia/Presentations/2007%20SSAAP%20Symposium/Town%20meeting2005/9Einstein/Mao2integ.ppthttp:///Cordelia/Presentations/2007%20SSAAP%20Symposium/Town%20meeting2005/9Einstein/Mao2integ.ppthttp:///Cordelia/Presentations/2007%20SSAAP%20Symposium/Town%20meeting2005/9Einstein/Mao2integ.ppt


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CDAC

CDAC HIGHLIGHTS 2009:Education, training and outreach

1. OVERVIEW

Growth of users at HPCAT (475+ to date) Expanded collaborations with all NNSA Labs

CDAC supported 26 Ph.D. students

6 undergraduate/high school interns

Student Winter Workshop held Feb. 2009

Growing number of CDAC/HPCAT collaborations 735 outside collaborators 240 institutions

Presentations at major national meetings APS March 23 abstracts AIRAPT 38 abstracts & presentations Fall AGU 56 abstracts & presentations (3 invited talks),

including graduate session chair


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CDAC


2009 CDAC Winter Workshop at APS Feb. 27-28, 2009

1. OVERVIEW

40 student attendees

46 posters presented 8 talks by CDAC students 9 talks by CDAC partners/

collaborators


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CDAC


High Pressure Synchrotron Science Workshop, APS May 6-8, 2009

12 Scientific & Technical Sessions,

10 talks by CDAC scientists

1. OVERVIEW

21stCentury Needs and Challenges inCompression Science Workshop

Santa Fe, Sept. 23-25, 2009

Advances inHigh PressureScience UsingSynchrotron

X-rays, Oct. 4,2008


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CDAC

CDAC also support research by undergraduateand high-school summer scholars

2009 Summer Scholars Z. Liang, A. Schad and A. Savello presenttheir work at the Summer Scholars Research Symposium.

2009 High School Summer Scholars

C. Barkett (Good Counsel HighSchool, Olney, MD)

Low-Temperature Synthesisof Fe-Bearing Solid Solutions

2009 Carnegie Summer Scholars

N. Foley (Carleton Coll.)Fractionation of Sulfur Isotopesin the Formation of Mars

Z. Liang (Lehigh Univ.)

Crystallization of PeriodicMesoporous Organosilicas

A. Savello (Emory Univ.)Measurement of the ThermalConductivity of (MgFe)SiO3Perovskite at High P and T

A. Schad (Univ. Notre Dame)

High Pressure Raman Studiesof Ferroelectric Perovskites

E. Sandford (Glenelg CountrySchool, Ellicot City, MD)

High-Pressure BrillouinSpectroscopy of Polymers

1. OVERVIEW


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CDAC

STRUCTURES AND PHASE RELATIONS EQUATIONS OF STATE ELASTICITY, RHEOLOGY, STRENGTH ELECTRON AND PHONON DYNAMICS

TRANSPORT PROPERTIES EXTREME CONDITION CHEMISTRY

A broad range of fundamental problems inhigh P-Tscience are being investigated

TO DATE: 750+ Publications(50 Phys. Rev. Letts., 27 Nature, 12 Science, 38 PNAS)

Metals physicsNovel compounds

Liquids/AmorphousMaterialsChemistryLow-Z systems

SELECTED SYSTEMS

2. SCIENCE

2009: 129 Publications(10 Phys. Rev. Letts., 4 Nature, 1 Science, 7 PNAS)


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CDAC

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

2. SCIENCEUnexpected phase behaviorand complexity in simple metals

[Gregoryanz et al., Science(2008)]


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CDAC

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

2. SCIENCESodium undergoes a metal to insulatortransition at multimegabar pressures

Reflectivity measurementsand first-principlescalcuations indicate asudden decrease in freeelectron metallic behavioracross the cI16-oP*transition116 GPa 119 GPa

Synchrotron IR-Visible Reflectivity (U2A)

[Lazicki et al., PNAS(2009)][see also, Ma et al., Nature(2009)]A. Lazicki

(Carnegiepostdoc)


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CDAC

Continued studies of phase transformations

and P-V-TEOS of elemental metals

2. SCIENCE

W. Bi (CDAC graduatestudent, Washington Univ.)

High strength andincompressibility

P-V-T EOS ofinterest for metals

systematics

MattArmentrout(CDACgraduatestudent.UCLA)

Os

Eu is the newest elemental

superconductor


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CDAC

T winning is a s ignificant deformation mechanis m

in hexagonal metals at high pressure

Os

DAC in radial diffraction geometry to

impose stress and pressure on pureosmium and zinc, inducing elastic and

plas tic deformations. T he two hcp metals

behave very differently.

Carnegie/DOE Alliance Center

W. KanitpanyacharoenP. Kaecher, CDAC graduate

students (UC Berkeley)

2. SCIENCE

Os

at 24 GPa(2.0 m.r.d.)

(100) (002)(101) (102) (110) (103)Compression

Zn

at 34 GPa(3.1 m.r.d.)


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CDAC

T winning is a s ignificant deformation mechanis m

in hexagonal metals at high pressure

Os

DAC in radial diffraction geometry to

impose stress and pressure on pureosmium and zinc, inducing elastic and

plas tic deformations. T he two hcp metals

behave very differently.

T he visco-pla stic self-consistent ( VPS C )

polycrystal model is used to provide insight

into which s lip s ys tems and twinning

modes are active under a given set of

conditions.

With Twinning Without Twinning


5% strain 30% strain 5% strain 30% strain

W. KanitpanyacharoenP. Kaecher, CDAC graduate

students (UC Berkeley)

2. SCIENCE

Os

at 24 GPa(2.0 m.r.d.)

(100) (002)(101) (102) (110) (103)Compression

Zn

at 34 GPa(3.1 m.r.d.)


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CDAC


Lattice dynamics of iron is directly measured at

extreme P-Tby inelastic x-ray scattering (IXS)

2. SCIENCE

Postdoc

Z. Mao

Assistant ProfessorAfu Lin

Grad. Student

C. Xu

Undergraduate

Caleb Jacobs


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CDAC


Lattice dynamics of iron is directly measured at

extreme P-Tby inelastic x-ray scattering (IXS)

2. SCIENCE

Postdoc

Z. Mao

Assistant ProfessorAfu Lin

Grad. Student

C. Xu

Undergraduate

Caleb Jacobs

HERIXS on Hot Dense Fe

Z. Mao, J. F. Lin, G. Xu, A. Alatas, Compressional wave velocity of hcp-Fe at high pressures and temperatures, in prep., 2010.

NRIXS on Textured hcp-Fe

J. F. Lin, Z. Mao, H. Yavas, J. Zhao, and L. Dubrovinsky, Shear waveanisotropy of textured hcp-Fe in Earths inner core, in submission, 2010.

Phonon Dispersions46GPa/700K

High energy resonant IXS(resolution of ~2 meV and beamsize of 25 m atXOR3, LA phonon dispersions of hcp-Fe. HT has

a strong effect on the Vp.

Nuclear Resonant IXSVs is 4.1 % faster along the c relative to a axisgiving elastic, vibrational, and thermodynamic

parameters.

Phonon Density of States

158GPa

Hcp-Fe in cubic BN/Be gasketSystem setup at XOR3, APS


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CDAC


Pressure-induced Invar effect hasbeen discovered in Pd3Fe

It is possible to tune Invarbehavior with pressure,rather than composition.

The electronic structure atthe Invar transition is thesame for either composition-tuned or pressure-tunedInvar.

2. SCIENCE

L. Mauger J. Munoz M. Winterrose(CDAC graduate students, Caltech)


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CDAC

Infrared reflectivity of studies of

pressure-induced insulator-metal transitions

2. SCIENCE

Reflectivity of the diamond-GaP interface at highpressure. The main peak inthe spectrum is due to the TOphonon mode which shifts to

higher wavenumber anddecreases in intensity aspressure is increased. Thedisappearance of the phononmode and sharp rise in themagnitude of the reflectivityare associated with the

metallization of GaP at 20GPa.

Far-IR Reflectivity U2A at NSLS

C. Seagle(CDAC grad.student,

Chicago)

GaP

Far IR of FeO under pressure[Seagle et al., Phys. Rev. B(2009)]

S


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CDAC


Iron-based layered compoundSmFeAsO1-xFx is known to exhibitsuperconductivity at 55 K

NdCoAsO is isostructural tolayered superconductors

Structural and magnetic

phase transitions in NdCoAsO

2. SCIENCE

Designer diamondanvil for electricalstudies at highpressures and low

temperatures

S l d i


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CDAC


Iron-based layered compoundSmFeAsO1-xFx is known to exhibitsuperconductivity at 55 K

NdCoAsO is isostructural tolayered superconductors

Magnetic ordering andsuperconducting transitions are

detected by four probe electrical

resistance measurements

Structural and magnetic

phase transitions in NdCoAsO

2. SCIENCE

10 20 30 40 50

0.8

1.0

1.2

1.4

52.9

28.812.8

P = 0.8 GPa

TN1

R

(T)/R

(50K)

Temperature (K)

Material

shows anti-ferromagneticbehavior to 53GPa

Designer diamondanvil for electricalstudies at highpressures and low

temperatures

W. Uhoya(CDAC grad.student, UAB)


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CDAC

EOS, phase transitions, and polyamorphism

of liquids and amorphous solids

2. SCIENCE

Measured DAC EOS for amorphous redphosphorus. The three sets ofsymbols represent separate runs. Thecompression data is in black and the

decompression data is in red. Inset:

E. Oelker(CDAC graduatestudent, ASU)

P

Brillouin spectra of soda-lime glass powderat ambient conditions (P = 0 GPa, T = 290K) in back-scatter (top and bottom spectra: = 180) and reflection geometries (middletwo spectra: = 110 ),

A Gleason(CDAC grad.student,UC Berkeley)

Brillouin spectroscopy, ultrasonic, and

diffraction techniques

S


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CDAC

Surface chemistry and spectroscopy

under extreme conditions

2. SCIENCE

SFG spectra of HMX of surface nitro groups in twopolarization conditions (SFG, vis, IR) as the crystalis rotated. Spectra such as these should determine

the orientation of surface nitro groups.

Raman spectrum ofbenzenethiol monolayer onphotonic substrate in theDAC at 10.2 GPa.

K. Brown(CDAC grad.student(UIUC)

A. Lozano(CDAC grad.student

(UIUC)

Sum Frequency Generation (SFG)


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CDAC


There are new findings in high-pressurestrength and toughness

Hardness from EOS of ZrO2

MI

OIIOI

60

50

40

30

20

10

0

Pre

ssure(GPa)

363534333231302928272625Volume/ZrO2(3)

MI: This workOI: This workOII: This workMI: Leger et al., 1993MI: Desgreniers,1999OI: Leger et al., 1993OI: Desgreniers,1999OII: Desgreniers,1999OII: Ohtaka et al.,2005OII: Haines et al.,1995MI-EOS: This workOI-EOS: This workOII-EOS: This workGGA: This workLDA: This work

2. SCIENCE

Ultratough CVD Diamond

Y. Al-Khatatbeh

(CDAC Grad.student, NMSU)

H(OII) < H(MI) < H(OI)G(OII) < G(MI) < G(OI)K(OII) > K(OI) > K(MI)

For all phases, H~ 10 GPa

[Liang et al., J. Phys. Cond. Matter. (2009)]

Understanding the behavior of hydrogen in


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CDAC

Understanding the behavior of hydrogen in

materials under pressure is fundamental

Equivalentring ofBe(OH)4tetrahedra inbehoite

Madison Barkley

(CDAC grad. student, Univ.Arizona)

Polyhedral

image of thesix-memberedring of silicatetetrahedra incristobalite

Novel dimer structure Highest mole percent hydrogen

Pressure-induced covalency

2. SCIENCE

Be(OH)2 Xe(H2)7

[Somayazulu et al., Nature Chem. (2009)]

N l i t l l i t ti i


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CDAC

Novel intermolecular interactions in

high-pressure van der Waals compounds

2. SCIENCE

SiH4 is a metal/superconductorat 100 GPa

Discovery ofSiH4(H2)2

N l i t l l i t ti i


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CDAC

Novel intermolecular interactions in

high-pressure van der Waals compounds

2. SCIENCE

SiH4 is a metal/superconductorat 100 GPa

Discovery ofSiH4(H2)2

Tim Strobel(postdoctoral fellow,Carnegie)

Intramolecular H-H bond weakens significantly

Pathway for dissociation/metallization of H2

0

50

100

150

200

250

300

350

400

450

500

5 15 25 35

Pressure (GPa)

CellVolu

me(3)

SiH4

H2

SiH4(H2)2

2.78

2.78

[Strobel et al., Phys. Rev. Lett. (2009)]


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3 NEW TECHNIQUES


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CDAC


3. NEW TECHNIQUES

Gi h l i i f3 NEW TECHNIQUES


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CDAC


Gigahertz-ultrasonic interferometryelastic properties of superhard materials

3. NEW TECHNIQUES

Y. Chang(CDAC grad.student,Northwestern)

Thin-film ZnO transducers havebeen developed to produce soundwaves with near-opticalwavelength at 1-2 GHz

60ns input pulseBuffer rod (BR) echo

CVD sample echoes

Application to CVD diamond:benchmark for elasticity studies

CVD

seed

~1mm

Acoustic wavelengths are


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CDAC

[Meng et al., PNAS(2008)]

CVD single crystal diamond for a newgeneration of anvils

3. NEW TECHNIQUES

Major upgrade of the U2A beamline for 3. NEW TECHNIQUES


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CDAC

Major upgrade of the U2A beamline for

spectroscopic studies under extreme conditions

3. NEW TECHNIQUES

New capability: far-IR reflection

Routine high pressureexperiments in the range of 10-1000 K

Extended side station to achieveideal performance in terms ofdiffraction limited resolution

Path to NSLS II

Major Beamline Upgrades

New IR/Raman microscope system U2A Side station

Many new tools are coming on line


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CDAC

Nano imaging (TXM), diffraction

Coherent diffraction imaging (CDI) High energy scattering (PDF) High energy resolution: HERIX and MERIX Time resolved: shock wave, XPCS

Magnetic circular dichroism (XMCD)

Spin transition of Fe3O4 discovered by

XMCD technique

3d full field imaging (TXM)30 nm spatial resolution

Many new tools are coming on line

at HPCAT and HPSynC

4 mKi

Kf

q

Phase reconstruction

200 nm

Coherent diffraction imaging3D reconstruction from a singlecrystal of Au at 6 GPa

[Yang et al, to be published]

Magnitude reconstruction

[Ding et al, to be published]

[Ding et al, Phys. Rev. Lett(2009)]

3. NEW TECHNIQUESUsing nanoscopes and nanobeams to measure


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CDAC

3 C QU S

[W. Mao, et al. to be published]30 nm resolution radiography Xradia nanoscope

Using nanoscopes and nanobeams to measure

anvil strains to maximize pressure

Nanodiffraction (< 200 nm beams)mulitimegabar pressures measuresthe pressure gradient

[Wang et al. PNAS(2010)]


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CDAC

Dedicated beamlines >100 GPa neutron scattering

Higher brightness synch.

Dynamic compression Energy Recovery Linacs Fourth Gen. Sources (LCLS).

SNS

A new generation of large facilities are coming on line

NeutronSources

LaserSources

X-raySources

NIF

Still higher P-T conditions New diagnostics Static/dynamic

NSLS II

Ultrahigh P-T conditions Larger samples Static/dynamic

PulsedPowerZR

D D


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CDAC

Dedicated beamlines >100 GPa neutron scattering

Higher brightness synch.

Dynamic compression Energy Recovery Linacs Fourth Generation Sync.

SNS

NeutronSources

LaserSources

X-raySources

NIF

NSLS II

PulsedPowerZR

D D

GRAND CHALLENGES

New inelastic scattering in new domains

Time dependent (


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CDAC

CDAC is supporting studies with ultrastrongshocks and isentropic compression techniques

- Hydrogen and helium at TPa pressures

- Fast ramp wave loading- Chemistry at ultraextreme conditions- Rigidity and plasticity- Going beyond the EOS- Wave-velocities in super-giant planets-Rigidity of material properties

- Gigabar pressures- Support of ICF

Combined static/dynamic compression

Ultra-fast diagnosticsNIF Planetary Interiors

Science Team

4. CONCLUSIONS


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CDAC

3. Technique Development

New x-ray techniques (


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CDAC

Improved measurements of stress

and strain at multimegabar pressures

S. Dorfman(CDACgraduatestudent,Princeton)

Measurements of differential stress in aplatinum sample for various pressure media. Ki

Kfq

Phase reconstruction

200 nm

3D reconstruction of

coherent diffraction from asingle crystal of Au at 6 GPa

[Yang et al, to be published]

Magnitude reconstruction


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russell j. hemley- carnegie/doe alliance center: a center of excellence for high pressure science...

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