Changfeng Chen
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Previous Organizations / Institutes
The organizations / institutes from the scholar's other articles in the past ten years
Research Subjects
Research Interests
Changfeng Chen has a total of 191 co-authors. Here are the top co-authors by number of shared publications:
- Yanming Ma
Jilin University
21 shared publications - Hong Sun
Shanghai Jiao Tong University
18 shared publications - Quan Li
Jilin University
18 shared publications - Chang Liu
Jilin University
10 shared publications - Liangzhi Kou
Queensland University of Technology
7 shared publications - Yanchao Wang
Key Laboratory of Material Simulation Methods and Software of Ministry of Education, College of Physics, Jilin University, Changchun, China
7 shared publications
Latest Publications
- 10 August 2026
- Published by American Physical Society (APS) in Physical Review B
- Vol. 114 (7)
Phase field modeling of microstructure evolution and magnetic phase transitions in ( Hf 1 − x Nb x ) Fe 2 alloys
- 10 August 2026
- Published by American Physical Society (APS) in Physical Review B
- Vol. 114 (7)
Phase field modeling of microstructure evolution and magnetic phase transitions in ( Hf 1 − x Nb x ) Fe 2 alloys
- 7 May 2026
- Published by American Physical Society (APS) in Physical Review Materials
- Vol. 10 (5)
Global emergent behaviors in extreme mechanics and electronics of diamond
- 7 May 2026
- Published by American Physical Society (APS) in Physical Review Materials
- Vol. 10 (5)
Global emergent behaviors in extreme mechanics and electronics of diamond
- 16 October 2025
- Published by American Physical Society (APS) in Physical Review B
- Vol. 112 (13)
Impact of deviatoric stress on the stability and superconductivity of- 16 October 2025
- Published by American Physical Society (APS) in Physical Review B
- Vol. 112 (13)
Impact of deviatoric stress on the stability and superconductivity of- 19 November 2024
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 133 (21) , 214101
New MgSiO 4 H 2 Phases as Potential Primary Water Carriers into the Deep Earth
Dense hydrous magnesium silicate MgSiO_{4}H_{2} is widely regarded as a primary water carrier into the deep Earth. However, the stability fields of MgSiO_{4}H_{2} based on the prevailing structure model are narrower than experimental results at relevant pressure and temperature (P-T) conditions, casting doubts about this prominent mineral as a water carrier into the great depths of the Earth. Here, we report on an advanced structure search that identifies two new crystal structures, denoted as α- and β-MgSiO_{4}H_{2}, that are stable over unprecedentedly wide P-T conditions of 17-68 GPa and up to 1860 K, covering the entire experimentally determined range. Moreover, we performed x-ray diffraction measurements with backscattering electron image, combined with ab initio simulations, to demonstrate the formation of MgSiO_{4}H_{2} and AlOOH solid solutions that exhibit further enhanced P-T stability fields, making them robust carriers of water into the deepest lower mantle. These findings establish and elucidate the new MgSiO_{4}H_{2} phases as potential primary water carriers into the vast depths of the lower mantle, creating a distinct paradigm for the deep Earth water cycle.
- 19 November 2024
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 133 (21) , 214101
New MgSiO 4 H 2 Phases as Potential Primary Water Carriers into the Deep Earth
Dense hydrous magnesium silicate MgSiO_{4}H_{2} is widely regarded as a primary water carrier into the deep Earth. However, the stability fields of MgSiO_{4}H_{2} based on the prevailing structure model are narrower than experimental results at relevant pressure and temperature (P-T) conditions, casting doubts about this prominent mineral as a water carrier into the great depths of the Earth. Here, we report on an advanced structure search that identifies two new crystal structures, denoted as α- and β-MgSiO_{4}H_{2}, that are stable over unprecedentedly wide P-T conditions of 17-68 GPa and up to 1860 K, covering the entire experimentally determined range. Moreover, we performed x-ray diffraction measurements with backscattering electron image, combined with ab initio simulations, to demonstrate the formation of MgSiO_{4}H_{2} and AlOOH solid solutions that exhibit further enhanced P-T stability fields, making them robust carriers of water into the deepest lower mantle. These findings establish and elucidate the new MgSiO_{4}H_{2} phases as potential primary water carriers into the vast depths of the lower mantle, creating a distinct paradigm for the deep Earth water cycle.
- Top Cited PapersOpen Access
- 12 November 2024
- Published by Springer Nature in npj Computational Materials
- Vol. 10 (1) , 1-10
Deep learning generative model for crystal structure prediction
- 12 November 2024
- Published by Springer Nature in npj Computational Materials
- Vol. 10 (1) , 1-10
Top Cited PapersOpen AccessDeep learning generative model for crystal structure prediction
- Open AccessCreating cyclo-N$_5$^{+}$ cation and assembling N$_5$^{+}$N$_5$$^{-}$ salt via electronegativity co-matching in tailored ionic compoundsThe recent discovery of crystalline pentazolates marks a major advance in polynitrogen science and raises prospects of making the long-touted potent propellant N$_5$$^{+}$N$_5$$^{-}$ salt. However, despite the synthesis of cyclo-N$_5$$^{-}$ anion in pentazolates, counter cation cyclo-N$_5$$^{+}$ remains elusive due to the strong oxidizing power of pentazole ion; moreover, pure N$_5$$^{+}$N$_5$$^{-}$ salt is known to be unstable. Here, we devise a new strategy for making rare cyclo-N$_5$$^{+}$ cation and assembling the long-sought N$_5$$^{+}$N$_5$$^{-}$ salt in tailored ionic compounds, wherein the negative/positive host ions act as oxidizing/reducing agents to form cyclo-N$_5$$^{+}$/N$_5$$^{-}$ species. This strategy is implemented via an advanced computational crystal structure search, which identifies XN$_5$N$_5$F (X = Li, Na, K) compounds that stabilize at high pressures and remain viable at ambient pressure-temperature conditions based on \textit{ab initio} molecular dynamics simulations. This finding opens an avenue for creating and stabilizing N$_5$$^{+}$N$_5$$^{-}$ salt assembly in ionic compounds, where cyclo-N$_5$ species are oxidized/reduced via co-matching with host ions of high/low electronegativity. The present results demonstrate novel polynitrogen chemistry, and these findings offer new insights and prospects in the design and synthesis of diverse chemical species that exhibit unusual charge states, bonding structures, and superior functionality.Open AccessCreating cyclo-N$_5$^{+}$ cation and assembling N$_5$^{+}$N$_5$$^{-}$ salt via electronegativity co-matching in tailored ionic compoundsThe recent discovery of crystalline pentazolates marks a major advance in polynitrogen science and raises prospects of making the long-touted potent propellant N$_5$$^{+}$N$_5$$^{-}$ salt. However, despite the synthesis of cyclo-N$_5$$^{-}$ anion in pentazolates, counter cation cyclo-N$_5$$^{+}$ remains elusive due to the strong oxidizing power of pentazole ion; moreover, pure N$_5$$^{+}$N$_5$$^{-}$ salt is known to be unstable. Here, we devise a new strategy for making rare cyclo-N$_5$$^{+}$ cation and assembling the long-sought N$_5$$^{+}$N$_5$$^{-}$ salt in tailored ionic compounds, wherein the negative/positive host ions act as oxidizing/reducing agents to form cyclo-N$_5$$^{+}$/N$_5$$^{-}$ species. This strategy is implemented via an advanced computational crystal structure search, which identifies XN$_5$N$_5$F (X = Li, Na, K) compounds that stabilize at high pressures and remain viable at ambient pressure-temperature conditions based on \textit{ab initio} molecular dynamics simulations. This finding opens an avenue for creating and stabilizing N$_5$$^{+}$N$_5$$^{-}$ salt assembly in ionic compounds, where cyclo-N$_5$ species are oxidized/reduced via co-matching with host ions of high/low electronegativity. The present results demonstrate novel polynitrogen chemistry, and these findings offer new insights and prospects in the design and synthesis of diverse chemical species that exhibit unusual charge states, bonding structures, and superior functionality.
- Open Access
- 27 March 2024
- Published by AIP Publishing in Matter and Radiation at Extremes
- Vol. 9 (3)
Sequestration of helium and xenon via iron-halide compounds in early Earth
The terrestrial abundance anomalies of helium and xenon suggest the presence of deep-Earth reservoirs of these elements, which has led to great interest in searching for materials that can host these usually unreactive elements. Here, using an advanced crystal structure search approach in conjunction with first-principles calculations, we show that several Xe/He-bearing iron halides are thermodynamically stable in a broad region of P–T phase space below 60 GPa. Our results present a compelling case for sequestration of He and Xe in the early Earth and may suggest their much wider distribution in the present Earth than previously believed. These findings offer insights into key material-based and physical mechanisms for elucidating major geological phenomena.
- 27 March 2024
- Published by AIP Publishing in Matter and Radiation at Extremes
- Vol. 9 (3)
Open AccessSequestration of helium and xenon via iron-halide compounds in early Earth
The terrestrial abundance anomalies of helium and xenon suggest the presence of deep-Earth reservoirs of these elements, which has led to great interest in searching for materials that can host these usually unreactive elements. Here, using an advanced crystal structure search approach in conjunction with first-principles calculations, we show that several Xe/He-bearing iron halides are thermodynamically stable in a broad region of P–T phase space below 60 GPa. Our results present a compelling case for sequestration of He and Xe in the early Earth and may suggest their much wider distribution in the present Earth than previously believed. These findings offer insights into key material-based and physical mechanisms for elucidating major geological phenomena.
- 11 March 2024
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry C
- Vol. 128 (11) , 4832-4838
Robust Nonmetallicity of NH3BH3 under Extreme Deviatoric Stresses
- 11 March 2024
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry C
- Vol. 128 (11) , 4832-4838
Robust Nonmetallicity of NH3BH3 under Extreme Deviatoric Stresses
- 20 February 2024
- Published by American Physical Society (APS) in Physical Review B
- Vol. 109 (6) , 064513
Prominent stress-driven anomalies in superconductivity of yttrium hexahydride
Yttrium hexahydride is a top superconducting superhydride, but its measured data are widely scattered and well below theoretical predictions. These prominent anomalies remain unresolved despite major efforts, impeding the understanding of this distinct class of superb superconductors. Here, we show that nonhydrostatic stresses, which are omnipresent in high-pressure experiments but omitted in prior theoretical studies, cause large deviations of from hydrostatic values, accounting for the strong scattering of experimental data and, joint with an anharmonic correction, reconciling the diverging theoretical and experimental results. Analysis of stress-induced phonon and charge responses unveils the underlying microscopic mechanisms. These findings offer a viable solution to the notable superconductivity anomalies in , and the insights have broad implications for other superconducting superhydrides and, more generally, superconductors under extreme compression.- 20 February 2024
- Published by American Physical Society (APS) in Physical Review B
- Vol. 109 (6) , 064513
Prominent stress-driven anomalies in superconductivity of yttrium hexahydride
Yttrium hexahydride is a top superconducting superhydride, but its measured data are widely scattered and well below theoretical predictions. These prominent anomalies remain unresolved despite major efforts, impeding the understanding of this distinct class of superb superconductors. Here, we show that nonhydrostatic stresses, which are omnipresent in high-pressure experiments but omitted in prior theoretical studies, cause large deviations of from hydrostatic values, accounting for the strong scattering of experimental data and, joint with an anharmonic correction, reconciling the diverging theoretical and experimental results. Analysis of stress-induced phonon and charge responses unveils the underlying microscopic mechanisms. These findings offer a viable solution to the notable superconductivity anomalies in , and the insights have broad implications for other superconducting superhydrides and, more generally, superconductors under extreme compression.- 21 December 2023
- Published by American Physical Society (APS) in Physical Review B
- Vol. 108 (21) , 214107
stabilized at subducting slab conditions: A geologically viable water carrier into the Earth's lower mantleHydrous minerals hold the key to unlocking the enduring mystery of the water cycle deep inside the Earth. Tremendous efforts have been devoted to identifying geologically viable minerals meeting stringent pressure-temperature-density stability requirements for descent into deep Earth, and such pursuits remain active. Here, we identify two hydrous iron silicates, - and , formed by a reaction of Earth-abundant and and stabilized at the pressure-temperature conditions in cold subducting slabs. These phases have a sufficiently high density for a stable descent into the Earth's lower mantle, and then decompose to release water after reaching equilibrium with the mantle geotherm. Moreover, solutions are found to be more stable than the pure substances and can serve as effective carriers to transport substantial amounts of water to lower-mantle regions via the cold subduction zones. These findings establish a viable and robust material basis for the deep-Earth water cycle, with major implications for elucidation of many prominent geological processes.- 21 December 2023
- Published by American Physical Society (APS) in Physical Review B
- Vol. 108 (21) , 214107
stabilized at subducting slab conditions: A geologically viable water carrier into the Earth's lower mantleHydrous minerals hold the key to unlocking the enduring mystery of the water cycle deep inside the Earth. Tremendous efforts have been devoted to identifying geologically viable minerals meeting stringent pressure-temperature-density stability requirements for descent into deep Earth, and such pursuits remain active. Here, we identify two hydrous iron silicates, - and , formed by a reaction of Earth-abundant and and stabilized at the pressure-temperature conditions in cold subducting slabs. These phases have a sufficiently high density for a stable descent into the Earth's lower mantle, and then decompose to release water after reaching equilibrium with the mantle geotherm. Moreover, solutions are found to be more stable than the pure substances and can serve as effective carriers to transport substantial amounts of water to lower-mantle regions via the cold subduction zones. These findings establish a viable and robust material basis for the deep-Earth water cycle, with major implications for elucidation of many prominent geological processes.