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Physical Sciences · Earth and Planetary Sciences

High-pressure geophysics and materials
Research Guide

What is High-pressure geophysics and materials?

High-pressure geophysics and materials is the study of the dynamics and structure of Earth's mantle through experimental and theoretical investigations of crystal structures, high-pressure phases, seismic properties, and material behaviors under extreme conditions relevant to Earth's interior.

This field encompasses 173,474 papers on topics including mantle dynamics, crystal structure prediction, high-pressure phases, seismic imaging, superconductivity, hydrous minerals, tomography, plate tectonics, and mineral physics. Key computational methods, such as ultrasoft pseudopotentials and projector augmented-wave approaches, enable accurate simulations of material properties at high pressures, as shown in "From ultrasoft pseudopotentials to the projector augmented-wave method" by Kresse and Joubert (1999) with 79,743 citations. Ab initio molecular dynamics further supports studies of liquid metals and phase transitions under mantle conditions, exemplified by Kresse and Häfner (1993) with 43,221 citations.

Topic Hierarchy

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graph TD D["Physical Sciences"] F["Earth and Planetary Sciences"] S["Geophysics"] T["High-pressure geophysics and materials"] D --> F F --> S S --> T style T fill:#DC5238,stroke:#c4452e,stroke-width:2px
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173.5K
Papers
N/A
5yr Growth
2.6M
Total Citations

Research Sub-Topics

Why It Matters

High-pressure geophysics and materials informs models of Earth's mantle composition and processes, with applications in seismic imaging and plate tectonics interpretation. Sun and McDonough (1989) analyzed trace-element data from mid-ocean ridge basalts and ocean island basalts, establishing chemical systematics that constrain mantle heterogeneity, cited 24,744 times. McDonough and Sun (1995) detailed Earth's bulk composition, aiding geophysical models of lower mantle behavior. Recent advancements include in situ measurements at deep Earth pressures and temperatures, as reviewed in the preprint "High-pressure experimental geosciences: state of the art and prospects" (2025), and terapascal static pressure experiments for materials synthesis (news, 2026). Tools like BurnMan compute thermodynamic properties of mantle minerals, supporting planetary evolution studies at the Earth and Planets Laboratory's high-pressure facilities.

Reading Guide

Where to Start

"From ultrasoft pseudopotentials to the projector augmented-wave method" by Kresse and Joubert (1999), as it establishes foundational computational methods for high-pressure phase predictions used across mineral physics simulations.

Key Papers Explained

Kresse and Joubert (1999) derive the relationship between ultrasoft pseudopotentials and PAW methods, building the basis for accurate plane-wave calculations. Kresse and Häfner (1993) extend this to ab initio molecular dynamics for liquid metals, enabling dynamic simulations of high-pressure phases. Vanderbilt (1990) introduces soft self-consistent pseudopotentials in generalized eigenvalue formalism, improving transferability for fixed cutoff radii. Troullier and Martins (1991) optimize norm-conserving pseudopotentials for efficiency, connecting to applications in mantle mineral studies like Sun and McDonough (1989) on basalt systematics.

Paper Timeline

100%
graph LR P0["Chemical and isotopic systematic...
1989 · 24.7K cites"] P1["Soft self-consistent pseudopoten...
1990 · 22.5K cites"] P2["Efficient pseudopotentials for p...
1991 · 15.9K cites"] P3["Ab initiomolecular dynami...
1993 · 43.2K cites"] P4["Recent advances in magnetic stru...
1993 · 15.0K cites"] P5["Ab initiomolecular-dynami...
1994 · 21.8K cites"] P6["From ultrasoft pseudopotentials ...
1999 · 79.7K cites"] P0 --> P1 P1 --> P2 P2 --> P3 P3 --> P4 P4 --> P5 P5 --> P6 style P6 fill:#DC5238,stroke:#c4452e,stroke-width:2px
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Most-cited paper highlighted in red. Papers ordered chronologically.

Advanced Directions

Preprints emphasize in situ high P-T measurements and compressive strain engineering of 2D materials, as in Prof. Jung-fu Lin's group activities. Multi-anvil apparatus reviews mark 50+ years of progress, with news on terapascal experiments and workshops simulating 3.6 Mbar conditions. ASU's $14.7 million NSF-funded facility advances high-P-T materials research for planetary chemistry.

Papers at a Glance

# Paper Year Venue Citations Open Access
1 From ultrasoft pseudopotentials to the projector augmented-wav... 1999 Physical review. B, Co... 79.7K
2 <i>Ab initio</i>molecular dynamics for liquid metals 1993 Physical review. B, Co... 43.2K
3 Chemical and isotopic systematics of oceanic basalts: implicat... 1989 Geological Society Lon... 24.7K
4 Soft self-consistent pseudopotentials in a generalized eigenva... 1990 Physical review. B, Co... 22.5K
5 <i>Ab initio</i>molecular-dynamics simulation of the liquid-me... 1994 Physical review. B, Co... 21.8K
6 Efficient pseudopotentials for plane-wave calculations 1991 Physical review. B, Co... 15.9K
7 Recent advances in magnetic structure determination by neutron... 1993 Physica B Condensed Ma... 15.0K
8 Interpretation of Raman spectra of disordered and amorphous ca... 2000 Physical review. B, Co... 14.7K
9 Ground State of the Electron Gas by a Stochastic Method 1980 Physical Review Letters 14.1K
10 The composition of the Earth 1995 Chemical Geology 13.3K

In the News

Workshop on High-Pressure Mineral Physics and ...

Jan 2026 ictp-saifr.org

Materials simulations bring powerful methods for predicting the physical properties of complex mineral phases, assemblages, and melts under the extreme conditions expected in Earth’’s interior (\~6...

Libra and Kobold Announce Positive Results from 2025 ...

Jan 2026 investingnews.com

The earn-in agreement with KoBold, a global leader in pioneering AI-powered mineral exploration backed by investors such as Bill Gates and Jeff Bezos, positions Libra at the forefront of Canadian l...

Alexandra Navrotsky seeks to uncover chemistry on other ...

Jun 2025 cen.acs.org Rachel Brazil, special to C&EN

**ASU recently received a $14.7 million US National Science Foundation grant to set up a facility for high-pressure and high-temperature materials research. What can studying materials in these con...

Materials synthesis at terapascal static pressures

Jan 2026 cnrs.hal.science Leonid Dubrovinsky, Saiana Khandarkhaeva, Timofey Fedotenko, Dominique Laniel, Maxim Bykov, Carlotta Giacobbe, Eleanor Lawrence Bright, Pavel Sedmak, Stella Chariton, Vitali Prakapenka, Alena V. Ponomareva, Ekaterina A. Smirnova, Maxim P. Belov, Ferenc Tasnádi, Nina Shulumba, Florian Trybel, Igor A. Abrikosov, Natalia Dubrovinskaia

methods of materials analysis. Here we report on a methodology developed to enable experiments at static compression in the terapascal regime with laser heating. We

Advance in high-pressure physics - Harvard CNS

Sep 2025 cns1.rc.fas.harvard.edu By

Nearly a century after it was theorized, Harvard scientists report they have succeeded in creating the rarest material on the planet, which could eventually develop into one of its most valuable.

Code & Tools

Recent Preprints

Latest Developments

Recent developments in high-pressure geophysics and materials research include the 2026 Workshop on High-Pressure Mineral Physics and Geophysics Applications held in São Paulo from February 2–6, 2026, focusing on the latest applications in the field (ICTP-SAIFR). Additionally, the 2026 Gordon Research Conference on Research at High Pressure, scheduled for July 19–24, 2026 in New Hampshire, will feature cutting-edge research presentations on fundamental phenomena and functional phases under high pressure (GRC). Recent scientific breakthroughs include the demonstration of quantum entanglement for improved measurement accuracy at high pressures (ScienceDaily), and advanced characterization of materials under extreme conditions, such as copper compressed up to 1 terapascale (Nature), with ongoing research exploring novel high-pressure phases and methods for achieving ultra-high pressures beyond 4 Mbar (Nature).

Frequently Asked Questions

What computational methods are used in high-pressure materials studies?

Ultrasoft pseudopotentials and the projector augmented-wave method provide accurate total energy functionals for plane-wave calculations, as derived in "From ultrasoft pseudopotentials to the projector augmented-wave method" by Kresse and Joubert (1999). Ab initio molecular dynamics computes electronic ground states and Hellmann-Feynman forces at each step using conjugate-gradient techniques, demonstrated for liquid metals by Kresse and Häfner (1993). Norm-conserving pseudopotentials optimized for plane-wave bases reduce computational cost, per Troullier and Martins (1991).

How do trace elements reveal mantle composition?

Trace-element data from mid-ocean ridge basalts and ocean island basalts show incompatibility orders like Cs ≈ Rb > Th > U ≈ Nb = Ta ≈ K, indicating mantle source variations, as formulated by Sun and McDonough (1989). These systematics constrain depleted and enriched mantle reservoirs. McDonough and Sun (1995) used such data to model Earth's overall composition.

What tools support high-pressure geophysical modeling?

BurnMan is a Python toolkit for computing thermodynamic and thermoelastic properties of minerals from endmembers to composites under planetary conditions. FPTE calculates finite pressure-temperature elastic constants using VASP-based DFT and ab initio molecular dynamics. V2RhoT_gibbs converts seismic velocities to temperature and density via Gibbs free energy minimization with Perple_X.

What experimental techniques simulate mantle conditions?

Multi-anvil high-pressure apparatus has generated simultaneous high pressures and temperatures for over 50 years to study material behavior. State-of-the-art facilities at the Earth and Planets Laboratory subject geological materials to mantle and core pressures. Recent preprints highlight in situ measurements at deep Earth P-T conditions.

What is the focus of recent high-pressure research?

Preprints review advancements in high-pressure experimental geosciences with in situ P-T measurements for deep Earth and planets. Workshop news covers materials simulations predicting properties at 6,500 K and 3.6 Mbar in Earth's interior. Terapascal static pressures enable new materials synthesis with laser heating.

Open Research Questions

  • ? How do hydrous minerals influence seismic velocities and partial melting in the mantle transition zone?
  • ? What are the stable high-pressure phases of iron alloys in Earth's core under combined P-T-strain?
  • ? Can crystal structure predictions accurately model lower mantle mineral assemblages with trace volatiles?
  • ? How do tomographic imaging constraints refine plate tectonics models incorporating dynamic topography?
  • ? What superconductivity mechanisms emerge in mantle silicates at terapascal pressures?

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