skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Equation of State of TiN at High Pressures and Temperatures: A Possible Host for Nitrogen in Planetary Mantles

Abstract

Nitrogen, the most abundant element in Earth's atmosphere, is also a primary component of solid nitride minerals found in meteorites and on Earth's surface. If they remain stable to high pressures and temperatures, these nitrides may also be important reservoirs of nitrogen in planetary interiors. We used synchrotron X-ray diffraction to measure the thermal equation of state and phase stability of titanium nitride (TiN) in a laser-heated diamond anvil cell at pressures up to ~70 GPa and temperatures up to ~2500 K. TiN maintains the cubic B1 (NaCl-type) crystal structure over the entire pressure and temperature range explored. It has K0 = 274(4) GPa, K0' = 3.9(2), and γ0 = 1.39(4) for a fixed V0 = 76.516(30) Å3 (based on experimental measurements), q = 1, and θ0 = 579 K. Additionally, we collected Raman spectra of TiN up to ~60 GPa, where we find that the transverse acoustic (TA), longitudinal acoustic (LA), and transverse optical (TO) phonon modes exhibit mode Grüneisen parameters of 1.66(17), 0.54(15), and 0.93(4), respectively. Based on our equation of state, TiN has a density of ~5.6–6.4 g/cm3 at Earth's lower mantle conditions, significantly more dense than both the mantle of the Earth and the estimated densitiesmore » of the mantles of other terrestrial planets, but less dense than planetary cores. We find that TiN remains stable against physical decomposition at the pressures and temperatures found within Earth's mantle, making it a plausible reservoir for deep planetary nitrogen if chemical conditions allow its formation.« less

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [1];  [1];  [2];  [3]; ORCiD logo [4]
  1. Harvard Univ., Cambridge, MA (United States). Dept. of Earth and Planetary Sciences
  2. Univ. of Utah, Salt Lake City, UT (United States). Dept. of Geology and Geophysics
  3. Argonne National Lab. (ANL), Argonne, IL (United States). HPCAT X‐Ray Science Division
  4. Univ. of Chicago, IL (United States). Center for Advanced Radiation Sources (CARS)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); Chicago/DOE Alliance Center (CDAC); National Science Foundation (NSF); National Science Foundation (NSF) - Directorate for Geosciences Division of Earth Sciences (GEO/EAR)
OSTI Identifier:
1774485
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Geophysical Research. Solid Earth
Additional Journal Information:
Journal Volume: 126; Journal Issue: 2; Journal ID: ISSN 2169-9313
Publisher:
American Geophysical Union
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; Deep‐Earth Nitrogen; Diamond Anvil Cell; High Pressure; Nitrides; Thermal Equation of State; TiN

Citation Formats

Daviau, Kierstin, Fischer, Rebecca A., Brennan, Matthew C., Dong, Junjie, Suer, Terry‐Ann, Couper, Samantha, Meng, Yue, and Prakapenka, Vitali B. Equation of State of TiN at High Pressures and Temperatures: A Possible Host for Nitrogen in Planetary Mantles. United States: N. p., 2020. Web. doi:10.1029/2020jb020074.
Daviau, Kierstin, Fischer, Rebecca A., Brennan, Matthew C., Dong, Junjie, Suer, Terry‐Ann, Couper, Samantha, Meng, Yue, & Prakapenka, Vitali B. Equation of State of TiN at High Pressures and Temperatures: A Possible Host for Nitrogen in Planetary Mantles. United States. https://doi.org/10.1029/2020jb020074
Daviau, Kierstin, Fischer, Rebecca A., Brennan, Matthew C., Dong, Junjie, Suer, Terry‐Ann, Couper, Samantha, Meng, Yue, and Prakapenka, Vitali B. 2020. "Equation of State of TiN at High Pressures and Temperatures: A Possible Host for Nitrogen in Planetary Mantles". United States. https://doi.org/10.1029/2020jb020074.
@article{osti_1774485,
title = {Equation of State of TiN at High Pressures and Temperatures: A Possible Host for Nitrogen in Planetary Mantles},
author = {Daviau, Kierstin and Fischer, Rebecca A. and Brennan, Matthew C. and Dong, Junjie and Suer, Terry‐Ann and Couper, Samantha and Meng, Yue and Prakapenka, Vitali B.},
abstractNote = {Nitrogen, the most abundant element in Earth's atmosphere, is also a primary component of solid nitride minerals found in meteorites and on Earth's surface. If they remain stable to high pressures and temperatures, these nitrides may also be important reservoirs of nitrogen in planetary interiors. We used synchrotron X-ray diffraction to measure the thermal equation of state and phase stability of titanium nitride (TiN) in a laser-heated diamond anvil cell at pressures up to ~70 GPa and temperatures up to ~2500 K. TiN maintains the cubic B1 (NaCl-type) crystal structure over the entire pressure and temperature range explored. It has K0 = 274(4) GPa, K0' = 3.9(2), and γ0 = 1.39(4) for a fixed V0 = 76.516(30) Å3 (based on experimental measurements), q = 1, and θ0 = 579 K. Additionally, we collected Raman spectra of TiN up to ~60 GPa, where we find that the transverse acoustic (TA), longitudinal acoustic (LA), and transverse optical (TO) phonon modes exhibit mode Grüneisen parameters of 1.66(17), 0.54(15), and 0.93(4), respectively. Based on our equation of state, TiN has a density of ~5.6–6.4 g/cm3 at Earth's lower mantle conditions, significantly more dense than both the mantle of the Earth and the estimated densities of the mantles of other terrestrial planets, but less dense than planetary cores. We find that TiN remains stable against physical decomposition at the pressures and temperatures found within Earth's mantle, making it a plausible reservoir for deep planetary nitrogen if chemical conditions allow its formation.},
doi = {10.1029/2020jb020074},
url = {https://www.osti.gov/biblio/1774485}, journal = {Journal of Geophysical Research. Solid Earth},
issn = {2169-9313},
number = 2,
volume = 126,
place = {United States},
year = {2020},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 15, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Nitrogen solubility in basaltic melt. Part I. Effect of oxygen fugacity
journal, November 2003


The almost lithophile character of nitrogen during core formation
journal, March 2019


Tracing the ingredients for a habitable earth from interstellar space through planet formation
journal, July 2015


The major volatile elements of the Earth: Their origin, behavior, and fate
journal, January 1997


The origins and concentrations of water, carbon, nitrogen and noble gases on Earth
journal, January 2012


Synthesis of cubic silicon nitride
journal, July 1999


Elasticity and constitution of the Earth's interior
journal, June 1952


Core formation and geophysical properties of Mars
journal, January 2020


Structural and elastic properties of cubic and hexagonal TiN and AlN from first-principles calculations
journal, May 2010


Laser heated diamond cell system at the Advanced Photon Source for in situ x-ray measurements at high pressure and temperature
journal, January 2001


Elastic constants of single‐crystal transition‐metal nitride films measured by line‐focus acoustic microscopy
journal, September 1992


A high-pressure X-ray diffraction study of iron nitrides: Implications for Earth's core
journal, January 2005


Structural, elastic, and high-pressure properties of cubic TiC, TiN, and TiO
journal, February 1996


Delivery of carbon, nitrogen, and sulfur to the silicate Earth by a giant impact
journal, January 2019


Thermal expansion and P-V-T equation of state of cubic silicon nitride
journal, October 2019


New developments in laser-heated diamond anvil cell with in situ synchrotron x-ray diffraction at High Pressure Collaborative Access Team
journal, July 2015


Indirect phase transition of refractory nitrides compounds of: TiN, ZrN and HfN crystal structures
journal, September 2017


The fate of nitrogen during core-mantle separation on Earth
journal, April 2019


The chemical composition of the Earth: Enstatite chondrite models
journal, May 2010


Isostructural Phase Transition of TiN under High Pressure
journal, April 2005


The nitrogen record of crust–mantle interaction and mantle convection from Archean to Present
journal, February 2003


Growth and mechanical anisotropy of TiN thin films
journal, December 1995


Melting Curve and Equation of State of β‐Fe 7 N 3 : Nitrogen in the Core?
journal, April 2019


Nitrogen speciation in upper mantle fluids and the origin of Earth's nitrogen-rich atmosphere
journal, October 2014


High-pressure–high-temperature equation of state of KCl and KBr
journal, June 2012


Stability and compressibility of a new iron-nitride β -Fe 7 N 3 to core pressures: A NEW IRON-NITRIDE β -FE 7 N 3
journal, July 2015


DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015


Partial melting in the iron–sulfur system at high pressure: A synchrotron X-ray diffraction study
journal, June 2007


First-principles calculations of mechanical properties of TiC and TiN
journal, October 2009


Mineralogy of meteorite groups
journal, March 1997


Synthesis of the Elements in Stars
journal, October 1957


High pressure–high temperature equations of state of neon and diamond
journal, March 2008


Raman study of single crystal anatase TiO2 up to 70 GPa
journal, May 1995


Phase transition and thermodynamic properties of TiN under pressure via first-principles calculations
journal, October 2011


Density functional theory applied to V N Ti N multilayers
journal, November 2007


The nitrogen budget of Earth
journal, September 2015


Conditions of core formation in the earth: Constraints from Nickel and Cobalt partitioning
journal, April 2005


Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium
journal, September 2008


Strength and elastic moduli of TiN from radial x-ray diffraction under nonhydrostatic compression up to 45 GPa
journal, June 2010


Nitrogen solubility in molten metal and silicate at high pressure and temperature
journal, November 2013


Equations of state and phase boundary for stishovite and CaCl2-type SiO2
journal, May 2018


Oxidation of titanium nitride in room air and in dry O 2
journal, October 1991


High-pressure highly reduced nitrides and oxides from chromitite of a Tibetan ophiolite
journal, October 2009


Nitrogen Isotopic Composition and Density of the Archean Atmosphere
journal, September 2013


Dynamics of thermochemical plumes: 1. Plume formation and entrainment of a dense layer: THERMOCHEMICAL PLUMES, 1
journal, February 2006


Osbornite, meteoritic titanium nitride
journal, June 1941


Thermodynamic parameters in the Earth as determined from seismic profiles
journal, September 1981


Silicon nitride equation of state
conference, January 2017

  • Brown, Robert C.; Swaminathan, Pazhayannur K.
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
  • https://doi.org/10.1063/1.4971547

High pressure effects on the iron–iron oxide and nickel–nickel oxide oxygen fugacity buffers
journal, September 2009


Preliminary reference Earth model
journal, June 1981


Pressure-induced phonon frequency shifts in transition-metal nitrides
journal, July 2004


The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source
journal, September 2008


Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains
journal, July 2018


Calculated energy-band structures and chemical bonding in titanium and vanadium carbides, nitrides and oxides
journal, January 1988


X-Ray Diffraction under Extreme Conditions at the Advanced Light Source
journal, January 2018


Nitrogen evolution within the Earth's atmosphere–mantle system assessed by recycling in subduction zones
journal, January 2018