Thermodynamic and Mechanical Properties of SSP Materials: Simultaneous Ultrasonic and Synchrotron X-ray Studies

at High P and T

Baosheng LiDepartment of Geosciences

Stony Brook University

Feb 26-27, 2020 DOE/SSAP Symposium

2019-2020 Participants

Baosheng Li (SBU, PI)Robert C. Liebermann (SBU, co-PI)Xintong Qi (SBU ,Postdoc)Andrew Eubanks (SBU, Graduate Student,)Sibo Chen (SBU, Graduate student)Siheng Wang (SBU, Graduate Student)

Former Participants Matthew Whitaker(Beamline Scientist ,SBU/BNL)Matthew Jacobsen (now at Institute for Defense Analyses (IDA))

CollaboratorsJianzhong Zhang (LANL)Tony Yu (13-ID-D, GSECARSAPS/U of Chicago)Yanbin Wang (13-ID-D, GSECARS, APS/U of Chicago)David Welch (BNL/SBU)

(DE-NA0003886)

Understanding thermodynamic and mechanical properties of SSP materials under extreme conditions

Conducting sound velocity and density measurements at high pressure and high temperature conditions on SSP materials for precise equation of state determination

Education, Training, and Outreach

Dissemination of research results by journal publications, classroom teaching; providing training for the next generation scientists; collaborations and knowledge-sharing with researchers in universities and national labs

Development of New Experimental Capabilities

New techniques for material characterization and data analysis; Long term goal is to extend our measurements to P ~ 50 GPa to bridge the

gap between static and dynamic/shock compressions.

Project Goals and Objectives (DE-NA0003886)

Our Toolkit at SBU

Double Stage Multi-Anvil apparatus ; P < 30 GPa, T< 2500K Sample 5-100 mm3

DAC, Liquid or solid Pressure MediumP to Mbar pressuressub-millimeter sample

DFT and MD Calculations

USCA-2000(2000 ton)

USCA-1000(1000-ton)Piezoelectric

transducer

P-V-T Eos

Length

VP = L/ tP; VS = L/ tS

Ultrasonics + X-ray Technique:Apparatus at GSECARS/APS

T-25

Primary pressure determination using the measured V (or density ρ) and bulk modulus K for the sample

P = ∫ K dlnρ (“ absolute pressure”)

Equation of state independent of pressure scales

Direct determination of acoustic velocities (VP, and VS) and elastic moduli (KS and G) and their pressure and temperature derivatives

Allow for establishment of secondary pressure scales – (e.g., Wang et al. 2015, acoustic travel time pressure scale

at high P and T, JAP, Jamieson Student Paper Award of 2016)

Outcomes of our experiments

Thermal equation of state of Tungsten

Xintong Qi (2019)

Classified as “Critical strategic element” by many nationsdue to evolving defense and industrial uses.

1073K873K

298K

473K

Shear Properties of Tungsten from Integrated Ultrasonic + X-ray under High Pressure and High Temperature

Xintong Qi (2019)

Pressure (GPa)

Velo

city

(km

/s)

Shear ModulusUnder High P and T

Data on Transition Metals: Thermoelastic Properties of Hf

From Xintong Qi (2019)

A

B

C

D

A

BCD

Lanthanides: Elasticity of Cerium from 5 to 20 GPa

Cerium ([Xe] 4f¹ 5d¹ 6s²)

The significant changes at low pressure were attributed to the delocalization of 4f electron (~15% volume change). We extended velocity measurements up to 20 GPa.

No discontinuityAcross the transition

Prior to this study, no acoustic assessment at P > 9 GPa,.

Above 12 GPa, α’ (Cmcm) or α” (C2/m) transforms to ε-Ce

(I4/mmm).

Summary of our measurements on Lanthanides:

Ce: ~20 GPa 300K

Pr: 12 GPa, 300K

Nd: 8 GPa 873K.

Cai et al. (2018)

Zou et al. (2020, submitted)

Number of Ph.D Student Graduated in 2019: 1

Dr. Xintong Qi (Ph.D, 2019)Elastic Properties of Selected Transition Metals at Extreme Conditions: High Pressure and High Temperatures, Ph.D. thesis, Stony Brook University, 2019

Number of Graduate Student Joining the Group in 2019 : 1

Mr. Andrew Eubanks (from Arizona State University) Currently receiving training on hot-pressing and ultrasonic measurements under pressure and temperature of portlandite

Number of Undergraduate student:: 1

Graduate students, Sibo Chen and Andrew Eubanks attended the HPCAT/NNSA Workshop, APS, January 15-17, 2020. HPCAT Beamtime in March to conduct measurements using Paris-Edinburgh cell.

Education, Training, Outreach

Publications of 2019-2020: 1.Wang, S., T Chen, N Cai, X Qi, A Fiege, RC Liebermann, B Li, Pressure-induced velocity softening in natural orthopyroxene at mantle temperature, American Mineralogist 104 (8), 1173-1179, 2019.2.Cai, N., T. Chen, X. Qi, T. Inoue, B. Li, Sound velocity of the 23A phase at high pressure and implications for seismic velocities in subduction slabs. Phys. Earth Planet. Inter., 288, 1-8, 2019.3.Wang, D., T. Liu, T. Chen, Xintong Qi, Baosheng Li, Anomalous Sound Velocities of Antigorite at High Pressure and Implications for Detecting Serpentinization at Mantle Wedges, Geophys. Res. Lett., 46, 5153,2019, https://doi.org/10.1029/2019GL0822874.Qi, Xintong, Elastic Properties of Selected Transition Metals at Extreme Conditions: High Pressure and High Temperatures, Ph.D. thesis, Stony Brook University, 2019

Submitted/Under Review: 1. Acoustic velocities, elasticity and pressure-induced elastic softening in compressed neodymium (Journal of Alloys and Compounds, under review, 2020)

Invited Presentation/Colloquium Talks1. Liebermann, R.C, Recent Ultrasonic Experiments at High P and T at Stony Brook, 4th International HiPeR symposium, Hiroshima University, Japan, March 4-6, 2019.

Education, Training, and Outreach

Posters: (Materials 24, 25, 26)

1.*Siheng Wang et al. “Anomalous elastic behavior of Fe64Ni36 Invar alloy at high pressure” 2. Xintong Qi et al., “Elastic Properties of Group V Transition Metals under Pressure” 3.*Sibo Chen et al., Sound Velocity of Natural Topaz at High Pressure

( *: Graduate student )Fe64Ni36

EOS of Ta

VP of Topaz

Development of New Experimental Techniques

Kunimoto et al. 2016(WC, TJS cubes)

This study (Kennametal WC cubes, pressures derived using Wang et al. (2015) Al2O3 travel time scale.

High Pressure Measurements in Multi-anvil at ~38 GPa

30 MHz S wave signals of Al2O3 rod at 38 GPa

Al2O3 Buffer rod/Sample

Summary of Activities and Outlook

• Sound velocities. Metals (transition metal, lanthanide), Invar alloys, and silicates have been studied at high pressure and high temperatures using ultrasonic and X-ray studies. Equation of state and thermoelastic properties (K, G, ∂K/∂P, ∂G/∂P, dK/dT, dG/dT, α) have been derived.

• Measurements to extreme pressures. Progress have been made to ~ 38 GPa for measurements using tungsten carbide cubes. These measurements aim to bridge the gap between static [multi-anvil and DAC] and dynamic [shock] high-pressure experiments.

• Education, training, and technology transfer. Provided education and training for next generation scientists for the stewardship science program as well as technology transfer for conducting advanced experiments using X-ray/neutron source at APS/LANL.

2019-2020 Participants

Baosheng Li (SBU, PI)Robert C. Liebermann (SBU, co-PI)Xintong Qi (SBU ,Postdoc)Andrew Eubanks (SBU, Graduate Student,)Sibo Chen (SBU, Graduate student)Siheng Wang (SBU, Graduate Student)

Former Participants Matthew Whitaker(Beamline Scientist ,SBU/BNL)Matthew Jacobsen (now at Institute for Defense Analyses (IDA))

CollaboratorsJianzhong Zhang (LANL)Tony Yu (13-ID-D, GSECARSAPS/U of Chicago)Yanbin Wang (13-ID-D, GSECARS, APS/U of Chicago)David Welch (BNL/SBU)

(DE-NA0003886)

Thank you for your attention.

Technology Transfer

• Techniques for Ultrasonic Measurements

• Data Analysis

• Software Supportfor Travel Time Analysis