Dr. Gerd Steinle-Neumann

2024

Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy; Dima, Gabriel I.; Steinle-Neumann, Gerd
Ab initio calculations and crystal structure simulations for mixed layer compounds from the tet ...
In: American Mineralogist Bd. 109 (2024) Heft 8. - S. 1375-1386
doi:10.2138/am-2023-9018 ...

Yuan, Liang; Steinle-Neumann, Gerd
Earth's “Missing” Chlorine May Be in the Core
In: Journal of Geophysical Research: Solid Earth Bd. 129 (2024) Heft 2
doi:10.15495/EPub_UBT_00007940 ...

2023

Kleinschmidt, Uwe; French, Martin; Steinle-Neumann, Gerd; Redmer, Ronald
Electrical and thermal conductivity of fcc and hcp iron under conditions of the Earth's core fr ...
In: Physical Review B Bd. 107 (2023) Heft 8
doi:10.1103/PhysRevB.107.085145 ...

Aslandukova, Alena; Aslandukov, Andrii; Laniel, Dominique; Khandarkhaeva, Saiana; Steinle-Neumann, Gerd; Fedotenko, Timofey; Ovsyannikov, Sergey V.; Yin, Yuqing; Akbar, Fariia Iasmin; Glazyrin, Konstantin; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
High-pressure hP3 yttrium allotrope with CaHg₂-type structure as a prototype of the hP3 rare-ea ...
In: Physical Review B Bd. 107 (2023) Heft 1
doi:10.1103/PhysRevB.107.014103 ...

Yuan, Liang; Steinle-Neumann, Gerd
Hydrogen distribution between the Earth's inner and outer core
In: Earth and Planetary Science Letters Bd. 609 (2023)
doi:10.1016/j.epsl.2023.118084 ...

2022

Yuan, Liang; Steinle-Neumann, Gerd
Possible Control of Earth's Boron Budget by Metallic Iron
In: Geophysical Research Letters Bd. 49 (2022) Heft 10
doi:10.15495/EPub_UBT_00006685 ...

Posner, Esther S.; Steinle-Neumann, Gerd
Compositional effects in the liquid Fe–Ni–C system at high pressure
In: Physics and Chemistry of Minerals Bd. 49 (2022) Heft 11
doi:10.15495/EPub_UBT_00007028 ...

Langhammer, Dominic; Di Genova, Danilo; Steinle-Neumann, Gerd
Modeling Viscosity of Volcanic Melts With Artificial Neural Networks
In: Geochemistry, Geophysics, Geosystems Bd. 23 (2022) Heft 12
doi:10.15495/EPub_UBT_00007154 ...

2021

Trybel, Florian; Meier, Thomas; Wang, Biao; Steinle-Neumann, Gerd
Absence of proton tunneling during the hydrogen-bond symmetrization in δ-AlOOH
In: Physical Review B Bd. 104 (2021)
doi:10.1103/PhysRevB.104.104311 ...

Adams, Donat J.; Wang, Lin; Steinle-Neumann, Gerd; Passerone, Daniele; Churakov, Sergey V.
Anharmonic effects on the dynamics of solid aluminium from ab initio simulations
In: Journal of Physics: Condensed Matter Bd. 33 (2021) Heft 17
doi:10.1088/1361-648x/abc972 ...

Méndez, Alba S. J.; Trybel, Florian; Husband, R. J.; Steinle-Neumann, Gerd; Liermann, H.-P.; Marquardt, Hauke
Bulk modulus of H₂O across the ice VII–ice X transition measured by time-resolved x-ray diffrac ...
In: Physical Review B Bd. 103 (2021) Heft 6
doi:10.1103/PhysRevB.103.064104 ...

Yuan, Liang; Steinle-Neumann, Gerd
The Helium Elemental and Isotopic Compositions of the Earth's Core Based on Ab Initio Simulatio ...
In: Journal of Geophysical Research: Solid Earth Bd. 126 (2021) Heft 10
doi:10.15495/EPub_UBT_00006134 ...

Aslandukov, Andrii; Aslandukova, Alena; Laniel, Dominique; Koemets, Iuliia; Fedotenko, Timofey; Yuan, Liang; Steinle-Neumann, Gerd; Glazyrin, Konstantin; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
High-Pressure Yttrium Nitride, Y₅N₁₄, Featuring Three Distinct Types of Nitrogen Dimers
In: The Journal of Physical Chemistry C Bd. 125 (2021) Heft 32. - S. 18077-18084
doi:10.1021/acs.jpcc.1c06210 ...

Yao, Jie; Frost, Daniel J.; Steinle-Neumann, Gerd
Lower Mantle Melting : Experiments and Thermodynamic Modeling in the System MgO-SiO2
In: Journal of Geophysical Research: Solid Earth Bd. 126 (2021) Heft 12
doi:10.15495/EPub_UBT_00006117 ...

Langhammer, Dominic; Di Genova, Danilo; Steinle-Neumann, Gerd
Modeling the Viscosity of Anhydrous and Hydrous Volcanic Melts
In: Geochemistry, Geophysics, Geosystems Bd. 22 (2021) Heft 8
doi:10.15495/EPub_UBT_00006150 ...

Aslandukova, Alena; Aslandukov, Andrii; Yuan, Liang; Laniel, Dominique; Khandarkhaeva, Saiana; Fedotenko, Timofey; Steinle-Neumann, Gerd; Glazyrin, Konstantin; Dubrovinskaia, Natalia; Dubrovinsky, Leonid
Novel High-Pressure Yttrium Carbide γ−Y₄C₅ Containing [C₂] and Nonlinear [C₃] Units with Unusua ...
In: Physical Review Letters Bd. 127 (2021) Heft 13
doi:10.1103/PhysRevLett.127.135501 ...

Rebaza, Anna M.; Posner, Esther S.; Thielmann, Marcel; Rubie, David C.; Steinle-Neumann, Gerd
Experimental determination of carbon diffusion in liquid iron at high pressure
In: American Mineralogist Bd. 106 (2021) Heft 12. - S. 1950-1956
doi:10.2138/am-2021-7644 ...

Ovsyannikov, Sergey V.; Tsirlin, Alexander A.; Korobeynikov, Igor V.; Morozova, Natalia V.; Aslandukova, Alena; Steinle-Neumann, Gerd; Chariton, Stella; Khandarkhaeva, Saiana; Glazyrin, Konstantin; Wilhelm, Fabrice; Rogalev, Andrei; Dubrovinsky, Leonid
Synthesis of Ilmenite-type ε-Mn₂O₃ and Its Properties
In: Inorganic Chemistry Bd. 60 (2021) Heft 17. - S. 13348-13358
doi:10.1021/acs.inorgchem.1c01666 ...

2020

Trybel, Florian; Cosacchi, Michael; Meier, Thomas; Axt, Vollrath Martin; Steinle-Neumann, Gerd
Proton dynamics in high-pressure ice-VII from density functional theory
In: Physical Review B Bd. 102 (2020) Heft 18
doi:10.1103/PhysRevB.102.184310 ...

Meier, Thomas; Trybel, Florian; Criniti, Giacomo; Laniel, Dominique; Khandarkhaeva, Saiana; Koemets, Egor; Fedotenko, Timofey; Glazyrin, Konstantin; Hanfland, Michael; Bykov, Maxim; Steinle-Neumann, Gerd; Dubrovinskaia, Natalia; Dubrovinsky, Leonid
Proton mobility in metallic copper hydride from high-pressure nuclear magnetic resonance
In: Physical Review B Bd. 102 (2020) Heft 16
doi:10.1103/PhysRevB.102.165109 ...

Yuan, Liang; Steinle-Neumann, Gerd
Strong Sequestration of Hydrogen Into the Earth's Core During Planetary Differentiation
In: Geophysical Research Letters Bd. 47 (2020) Heft 15
doi:10.15495/EPub_UBT_00005301 ...

Yuan, Liang; Steinle-Neumann, Gerd; Suzuki, Akio
Structure and Density of H₂O‐Rich Mg₂SiO₄ Melts at High Pressure From Ab Initio Simulations ...
In: Journal of Geophysical Research: Solid Earth Bd. 125 (2020) Heft 10
doi:10.15495/EPub_UBT_00005289 ...

2018

Wagle, Fabian; Steinle-Neumann, Gerd
Electrical resistivity discontinuity of iron along the melting curve
In: Geophysical Journal International Bd. 213 (2018) Heft 1. - S. 237-243
doi:10.1093/gji/ggx526 ...

Hakim, Kaustubh; Rivoldini, Attilio; van Hoolst, Tim; Cottenier, Stefaan; Jaeken, Jan; Chust, Thomas; Steinle-Neumann, Gerd
A new ab initio equation of state of hcp-Fe and its implication on the interior structure and m ...
In: Icarus Bd. 313 (2018) . - S. 61-78
doi:10.1016/j.icarus.2018.05.005 ...

Wagle, Fabian; Steinle-Neumann, Gerd; de Koker, Nico
Saturation and negative temperature coefficient of electrical resistivity in liquid iron-sulfur ...
In: Physical Review B Bd. 97 (2018) Heft 9
doi:10.1103/PhysRevB.97.094307 ...

2017

Posner, Esther S.; Rubie, David C.; Frost, Daniel J.; Steinle-Neumann, Gerd
Experimental determination of oxygen diffusion in liquid iron at high pressure
In: Earth and Planetary Science Letters Bd. 464 (2017) . - S. 116-123
doi:10.1016/j.epsl.2017.02.020 ...

Posner, Esther S.; Rubie, David C.; Frost, Daniel J.; Vlcek, Vojtech; Steinle-Neumann, Gerd
High P-T experiments and first principles calculations of the diffusion of Si and Cr in liquid ...
In: Geochimica et Cosmochimica Acta Bd. 203 (2017) . - S. 323-342
doi:10.1016/j.gca.2017.01.024 ...

Chust, Thomas; Steinle-Neumann, Gerd; Dolejš, David; Schuberth, B. S. A.; Bunge, H.-P.
MMA-EoS : A Computational Framework for Mineralogical Thermodynamics
In: Journal of Geophysical Research: Solid Earth Bd. 122 (2017) Heft 12. - S. 9881-9920
doi:10.1002/2017JB014501 ...

Posner, Esther S.; Steinle-Neumann, Gerd; Vlček, Vojtěch; Rubie, David C.
Structural changes and anomalous self-diffusion of oxygen in liquid iron at high pressure
In: Geophysical Research Letters Bd. 44 (2017) Heft 8. - S. 3526-3534
doi:10.1002/2017GL072926 ...

2016

Vlcek, Vojtech; Eisenberg, Helen R.; Steinle-Neumann, Gerd; Neuhauser, Daniel; Rabani, Eran; Baer, Roi
Spontaneous Charge Carrier Localization in Extended One-Dimensional Systems
In: Physical Review Letters Bd. 116 (2016) Heft 18
doi:10.1103/PhysRevLett.116.186401 ...

2015

Vlček, Vojtěch; Steinle-Neumann, Gerd; Leppert, Linn; Armiento, Rickard; Kümmel, Stephan
Improved ground-state electronic structure and optical dielectric constants with a semilocal ex ...
In: Physical Review B Bd. 91 (2015) Heft 3
doi:10.1103/PhysRevB.91.035107 ...

Chemia, Zurab; Dolejš, David; Steinle-Neumann, Gerd
Thermal effects of variable material properties and metamorphic reactions in a three-component ...
In: Journal of Geophysical Research: Solid Earth Bd. 120 (2015) Heft 10. - S. 6823-6845
doi:10.1002/2015JB012080 ...

2013

Gou, Huiyang; Steinle-Neumann, Gerd; Bykova, Elena; Nakajima, Yoichi; Miyajima, Nobuyoshi; Li, Yuan; Ovsyannikov, Sergey V.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Stability of MnB₂ with AlB₂-type structure revealed by first-principles calculations and experi ...
In: Applied Physics Letters Bd. 102 (2013) Heft 6
doi:10.1063/1.4792273 ...