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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
Research Sub-Topics
Mantle Dynamics
This sub-topic models convection, plumes, and slab subduction in Earth's mantle using numerical simulations. Researchers integrate geodynamics with mineral physics.
Crystal Structure Prediction
This sub-topic develops computational methods like genetic algorithms and DFT for predicting high-pressure crystal forms. Researchers validate against experiments.
High-Pressure Phases
This sub-topic investigates phase transitions, polymorphism, and stability of minerals at mantle pressures using diamond anvil cells. Researchers study silicates and oxides.
Seismic Imaging Mantle
This sub-topic applies tomography, anisotropy analysis, and waveform modeling to image mantle heterogeneities. Researchers interpret velocity anomalies.
Mineral Physics High Pressure
This sub-topic measures thermoelastic properties, elasticity, and rheology of mantle minerals under compression. Researchers use Brillouin scattering and synchrotron methods.
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
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
In the News
Workshop on High-Pressure Mineral Physics and ...
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 ...
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 ...
**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
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
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
## Abstract
BurnMan is a free, open-source toolkit written in Python. It is designed to compute thermodynamic and thermoelastic properties of geological and pl...
The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not limited to s...
## Repository files navigation ### V2RhoT\_gibbs V2RhoT\_gibbs is a Python tool that allows converting seismic velocities to temperature and den...
## Repository files navigation ``` BurnMan - a lower mantle toolkit Copyright (C) 2013, Heister, T., Unterborn, C., Rose, I. and Cottaar, S.
Recent Preprints
High-pressure experimental geosciences: state of the art and prospects
This paper aims at reviewing the current advancements of high pressure experimental geosciences. The angle chosen is that of in situ measurements at the high pressure (P) and high temperature (T) c...
Professor Jung-fu Lin's Research Group
During the visit, Prof. Lin gave a lecture about “Compressive Strain Engineering of 2D Materials”. He also trained AMU scientists how to conduct high-pressure research. **233\. Prof. Lin visited S...
Experimental Petrology
Armed with the Earth and Planets Laboratory's state-of-the-art high-pressure facilities, our researchers simulate the intense pressures and temperatures found within a planet's mantle and core. By ...
Multi-anvil, high pressure apparatus: A half-century of ...
For the past 50+years, there have been a variety of technological approaches to generating high pressures in the laboratory, primarily motivated by the desire to study the behavior of materials at...
Journal of Geophysical Research: Planets - Wiley Online Library
The remanent magnetization of samples of individual iron meteorites decreases with size up to m 3 volumes, trending to a plateau value This plateau may correspond to the fraction of total...
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).
Sources
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?
Recent Trends
High-pressure experimental geosciences advance with in situ P-T measurements for deep Earth, per the 2025 preprint.
Multi-anvil apparatus developments span 50+ years for simultaneous P-T studies.
News highlights terapascal static pressures with laser heating for materials synthesis and Harvard's creation of rare high-pressure materials.
Workshops focus on simulations at 6,500 K and 3.6 Mbar, while ASU secures $14.7 million NSF funding for high-P-T facilities.
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