Anomalous pressure dependent phase diagram of liquid Ga–In alloys

Shir Ben Shalom; Han Gyeol Kim; Moran Emuna; Uri Argaman; Yaron Greenberg; Joonho Lee; Eyal Yahel; Guy Makov

doi:10.1016/j.jallcom.2019.153537

Anomalous pressure dependent phase diagram of liquid Ga–In alloys

Shir Ben Shalom, Han Gyeol Kim, Moran Emuna, Uri Argaman, Yaron Greenberg, Joonho Lee, Eyal Yahel, Guy Makov

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

Abstract

Pressure dependent phase diagram of liquid Ga–In alloys was calculated using high accuracy measurements of sound velocity and density at ambient conditions. In particular, the eutectic temperature and composition were found to have anomalous dependence on pressure. These alloys belong to a new class of room-temperature liquid metals, which are considered for multiple novel applications. To establish a pressure dependent phase diagram, we have measured to high accuracy sound velocity and density measurements across a wide range of temperatures and compositions. The sound velocity and density of the Ga–In system in the liquid phase were measured by a modified pulse-echo technique and the constrained drop method respectively. Implementing a sub-regular solution model, the pressure dependence of the Ga–In phase diagram was calculated. The new phase diagram was corroborated by a novel experimental measurement of the eutectic temperature as a function of pressure, utilizing a Paris-Edinburgh high-pressure large volume cell. The eutectic composition and temperature are found to depend strongly on pressure, information which extends our understanding of the Ga–In system and its possible applications.

Original language	English
Article number	153537
Journal	Journal of Alloys and Compounds
Volume	822
DOIs	https://doi.org/10.1016/j.jallcom.2019.153537
Publication status	Published - 2020 May 5

Bibliographical note

Funding Information:
This work was supported by the Korea–Israel Joint Research Program – Nano & Pressure Phase Diagram of Alloys (NADIA), by the National Research Foundation of Korea (NRF) grant funded by the Ministry of Science and ICT (MSIT) ( NRF–2016K1A3A1A31913031 ) and by a grant from the Ministry of Science, Technology and Space, Israel . The authors acknowledge the technical assistance of Mr. Aviram Berko. Appendix To calculate the enthalpies of solid-solid phase transitions we first calculated the total energy as a function of the volume (cold curve) within density functional theory (DFT) for In in both Ga structures (αGa and Ga III) and In structure (A6). From this data we calculated the enthalpies of these structures as a function of the pressure. The calculations were performed within the ultrasoft pseudopotential plane-wave method [ 45 ] as implemented in the Quantum Espresso package [ 46 ]. The exchange-correlation used was PBE-GGA [ 47 ]. The pseudopotentials were obtained from the GBRV database [ 48 ]. Calculations were performed with a plane wave basis set with a cutoff energy of 40 Ry for the wave functions and 200 Ry for the density and potential and with a k-point density of 32 × 32 × 32.

Funding Information:
This work was supported by the Korea?Israel Joint Research Program ? Nano & Pressure Phase Diagram of Alloys (NADIA), by the National Research Foundation of Korea (NRF) grant funded by the Ministry of Science and ICT (MSIT) (NRF?2016K1A3A1A31913031) and by a grant from the Ministry of Science, Technology and Space, Israel. The authors acknowledge the technical assistance of Mr. Aviram Berko.

Publisher Copyright:
© 2019 Elsevier B.V.

Keywords

Density
Ga-In
High-pressure
Liquid metals
Phase diagram
Sound velocity

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

Access to Document

10.1016/j.jallcom.2019.153537

Cite this

@article{804e28e6d07d4e2c8340acd3d1a7608f,

title = "Anomalous pressure dependent phase diagram of liquid Ga–In alloys",

abstract = "Pressure dependent phase diagram of liquid Ga–In alloys was calculated using high accuracy measurements of sound velocity and density at ambient conditions. In particular, the eutectic temperature and composition were found to have anomalous dependence on pressure. These alloys belong to a new class of room-temperature liquid metals, which are considered for multiple novel applications. To establish a pressure dependent phase diagram, we have measured to high accuracy sound velocity and density measurements across a wide range of temperatures and compositions. The sound velocity and density of the Ga–In system in the liquid phase were measured by a modified pulse-echo technique and the constrained drop method respectively. Implementing a sub-regular solution model, the pressure dependence of the Ga–In phase diagram was calculated. The new phase diagram was corroborated by a novel experimental measurement of the eutectic temperature as a function of pressure, utilizing a Paris-Edinburgh high-pressure large volume cell. The eutectic composition and temperature are found to depend strongly on pressure, information which extends our understanding of the Ga–In system and its possible applications.",

keywords = "Density, Ga-In, High-pressure, Liquid metals, Phase diagram, Sound velocity",

author = "{Ben Shalom}, Shir and Kim, {Han Gyeol} and Moran Emuna and Uri Argaman and Yaron Greenberg and Joonho Lee and Eyal Yahel and Guy Makov",

note = "Funding Information: This work was supported by the Korea–Israel Joint Research Program – Nano & Pressure Phase Diagram of Alloys (NADIA), by the National Research Foundation of Korea (NRF) grant funded by the Ministry of Science and ICT (MSIT) ( NRF–2016K1A3A1A31913031 ) and by a grant from the Ministry of Science, Technology and Space, Israel . The authors acknowledge the technical assistance of Mr. Aviram Berko. Appendix To calculate the enthalpies of solid-solid phase transitions we first calculated the total energy as a function of the volume (cold curve) within density functional theory (DFT) for In in both Ga structures (αGa and Ga III) and In structure (A6). From this data we calculated the enthalpies of these structures as a function of the pressure. The calculations were performed within the ultrasoft pseudopotential plane-wave method [ 45 ] as implemented in the Quantum Espresso package [ 46 ]. The exchange-correlation used was PBE-GGA [ 47 ]. The pseudopotentials were obtained from the GBRV database [ 48 ]. Calculations were performed with a plane wave basis set with a cutoff energy of 40 Ry for the wave functions and 200 Ry for the density and potential and with a k-point density of 32 × 32 × 32. Funding Information: This work was supported by the Korea?Israel Joint Research Program ? Nano & Pressure Phase Diagram of Alloys (NADIA), by the National Research Foundation of Korea (NRF) grant funded by the Ministry of Science and ICT (MSIT) (NRF?2016K1A3A1A31913031) and by a grant from the Ministry of Science, Technology and Space, Israel. The authors acknowledge the technical assistance of Mr. Aviram Berko. Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2020",

month = may,

day = "5",

doi = "10.1016/j.jallcom.2019.153537",

language = "English",

volume = "822",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Anomalous pressure dependent phase diagram of liquid Ga–In alloys

AU - Ben Shalom, Shir

AU - Kim, Han Gyeol

AU - Emuna, Moran

AU - Argaman, Uri

AU - Greenberg, Yaron

AU - Lee, Joonho

AU - Yahel, Eyal

AU - Makov, Guy

N1 - Funding Information: This work was supported by the Korea–Israel Joint Research Program – Nano & Pressure Phase Diagram of Alloys (NADIA), by the National Research Foundation of Korea (NRF) grant funded by the Ministry of Science and ICT (MSIT) ( NRF–2016K1A3A1A31913031 ) and by a grant from the Ministry of Science, Technology and Space, Israel . The authors acknowledge the technical assistance of Mr. Aviram Berko. Appendix To calculate the enthalpies of solid-solid phase transitions we first calculated the total energy as a function of the volume (cold curve) within density functional theory (DFT) for In in both Ga structures (αGa and Ga III) and In structure (A6). From this data we calculated the enthalpies of these structures as a function of the pressure. The calculations were performed within the ultrasoft pseudopotential plane-wave method [ 45 ] as implemented in the Quantum Espresso package [ 46 ]. The exchange-correlation used was PBE-GGA [ 47 ]. The pseudopotentials were obtained from the GBRV database [ 48 ]. Calculations were performed with a plane wave basis set with a cutoff energy of 40 Ry for the wave functions and 200 Ry for the density and potential and with a k-point density of 32 × 32 × 32. Funding Information: This work was supported by the Korea?Israel Joint Research Program ? Nano & Pressure Phase Diagram of Alloys (NADIA), by the National Research Foundation of Korea (NRF) grant funded by the Ministry of Science and ICT (MSIT) (NRF?2016K1A3A1A31913031) and by a grant from the Ministry of Science, Technology and Space, Israel. The authors acknowledge the technical assistance of Mr. Aviram Berko. Publisher Copyright: © 2019 Elsevier B.V.

PY - 2020/5/5

Y1 - 2020/5/5

N2 - Pressure dependent phase diagram of liquid Ga–In alloys was calculated using high accuracy measurements of sound velocity and density at ambient conditions. In particular, the eutectic temperature and composition were found to have anomalous dependence on pressure. These alloys belong to a new class of room-temperature liquid metals, which are considered for multiple novel applications. To establish a pressure dependent phase diagram, we have measured to high accuracy sound velocity and density measurements across a wide range of temperatures and compositions. The sound velocity and density of the Ga–In system in the liquid phase were measured by a modified pulse-echo technique and the constrained drop method respectively. Implementing a sub-regular solution model, the pressure dependence of the Ga–In phase diagram was calculated. The new phase diagram was corroborated by a novel experimental measurement of the eutectic temperature as a function of pressure, utilizing a Paris-Edinburgh high-pressure large volume cell. The eutectic composition and temperature are found to depend strongly on pressure, information which extends our understanding of the Ga–In system and its possible applications.

AB - Pressure dependent phase diagram of liquid Ga–In alloys was calculated using high accuracy measurements of sound velocity and density at ambient conditions. In particular, the eutectic temperature and composition were found to have anomalous dependence on pressure. These alloys belong to a new class of room-temperature liquid metals, which are considered for multiple novel applications. To establish a pressure dependent phase diagram, we have measured to high accuracy sound velocity and density measurements across a wide range of temperatures and compositions. The sound velocity and density of the Ga–In system in the liquid phase were measured by a modified pulse-echo technique and the constrained drop method respectively. Implementing a sub-regular solution model, the pressure dependence of the Ga–In phase diagram was calculated. The new phase diagram was corroborated by a novel experimental measurement of the eutectic temperature as a function of pressure, utilizing a Paris-Edinburgh high-pressure large volume cell. The eutectic composition and temperature are found to depend strongly on pressure, information which extends our understanding of the Ga–In system and its possible applications.

KW - Density

KW - Ga-In

KW - High-pressure

KW - Liquid metals

KW - Phase diagram

KW - Sound velocity

UR - http://www.scopus.com/inward/record.url?scp=85077073825&partnerID=8YFLogxK

U2 - 10.1016/j.jallcom.2019.153537

DO - 10.1016/j.jallcom.2019.153537

M3 - Article

AN - SCOPUS:85077073825

SN - 0925-8388

VL - 822

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

M1 - 153537

ER -

Anomalous pressure dependent phase diagram of liquid Ga–In alloys

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this