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Frontiers in Energy

Front Energ    2013, Vol. 7 Issue (3) : 317-332     https://doi.org/10.1007/s11708-013-0271-9
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Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy materials
Lei WANG1, Jing LIU2()
1. Key Laboratory of Cryogenics and Beijing Key Laboratory of CryoBiomedical Engineering, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China; 2. Key Laboratory of Cryogenics and Beijing Key Laboratory of CryoBiomedical Engineering, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China; Department of Biomedical Engineering, School of Medicine, Tsinghua University, Beijing 100084, China
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Abstract

As the basis of modern industry, the roles materials play are becoming increasingly vital in this day and age. With many superior physical properties over conventional fluids, the low melting point liquid metal material, especially room-temperature liquid metal, is recently found to be uniquely useful in a wide variety of emerging areas from energy, electronics to medical sciences. However, with the coming enormous utilization of such materials, serious issues also arise which urgently need to be addressed. A biggest concern to impede the large scale application of room-temperature liquid metal technologies is that there is currently a strong shortage of the materials and species available to meet the tough requirements such as cost, melting point, electrical and thermal conductivity, etc. Inspired by the Material Genome Initiative as issued in 2011 by the United States of America, a more specific and focused project initiative was proposed in this paper—the liquid metal material genome aimed to discover advanced new functional alloys with low melting point so as to fulfill various increasing needs. The basic schemes and road map for this new research program, which is expected to have a worldwide significance, were outlined. The theoretical strategies and experimental methods in the research and development of liquid metal material genome were introduced. Particularly, the calculation of phase diagram (CALPHAD) approach as a highly effective way for material design was discussed. Further, the first-principles (FP) calculation was suggested to combine with the statistical thermodynamics to calculate the thermodynamic functions so as to enrich the CALPHAD database of liquid metals. When the experimental data are too scarce to perform a regular treatment, the combination of FP calculation, cluster variation method (CVM) or molecular dynamics (MD), and CALPHAD, referred to as the mixed FP-CVM-CALPHAD method can be a promising way to solve the problem. Except for the theoretical strategies, several parallel processing experimental methods were also analyzed, which can help improve the efficiency of finding new liquid metal materials and reducing the cost. The liquid metal material genome proposal as initiated in this paper will accelerate the process of finding and utilization of new functional materials.

Keywords liquid metal material genome      energy material      material discovery      advanced material      room-temperature liquid alloy      thermodynamics      phase diagram     
Corresponding Authors: LIU Jing,Email:jliubme@mail.tsinghua.edu.cn   
Issue Date: 05 September 2013
 Cite this article:   
Lei WANG,Jing LIU. Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy materials[J]. Front Energ, 2013, 7(3): 317-332.
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http://journal.hep.com.cn/fie/EN/10.1007/s11708-013-0271-9
http://journal.hep.com.cn/fie/EN/Y2013/V7/I3/317
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Fig.1  Typical applications of room-temperature liquid metal (a) Optical image of LEDs circuits written with GaIn-based liquid metal ink as conductive medium; (b) a lighted up LED with GTC films []; (c) schematic structure of iTMCs-based electro-luminescent nanofibers (TELFs) []; (d) liquid metal cooling driven by a peristaltic pump []
PropertiesLiquid metalsWater
MercuryGalliumGalinstanNa23.3K76.7
Melting point/°C-38.8729.8-19-12.60
Vapor pressure/mmHg1.68×10-3 a)10-12<10-8 d)2.5×10-8 c)17.54
Mass density/(kg·m-3)13546a)5907b)6440a)855c)988 b)
Viscosity/(mPa·s)1.2 e)1.002
Thermal conductivity/ (W·m-1·°C-1)8.34a)29.4b16.5230.6
Specific heat/(kJ·kg-1·K-1)0.139a)0.37b)0.9538b4.182
Surface tension/(N·m-1)0.455a)0.707b)0.718a)0.11m)0.072
Tab.1  Properties of several typical liquid metals and water
MetalMelting pointBulkAggregates of small droplets
T0TmsTnTmsTn
Tin231.8931200.89110 [26]121.89
Mercury-38.814-52.846-84.8
Gallium29.855-25.270-40.2
Tab.2  Maximum subcooling degree of Tin, Mercury and Gallium []
Fig.2  Overview of the material genome initiative []
Fig.3  Structure of the liquid metal material genome initiative
TypeLiquid metalsMelting point/°CTypeLiquid metalsMelting point/°C
Single-elementRubidiumCesiumFrancium38.8928.4427Single-elementGalliumMercury29.76-38.83
Binary alloysGaZn5GaSn8GaSn12Ga75In2525201716Binary alloysNa6.2Rb93.8K78Na22K76.7Na23.3Cs77K23-4.5-11-12.7-37.5
Multicomponent alloysGaIn12Zn16GaIn29Zn4GaIn25Sn13Ga62.5In21.5Sn16Ga69.8In17.6Sn12.61713510.710.8Multicomponent alloysGaIn60Sn10GaIn25Sn13Zn1GalinstanCs73.71K22.14Na4.14123-19-78.2
Tab.3  Some liquid metals whose melting points are less than 60 °C [-]
Fig.4  Some potential elements marked in color which can form room-temperature liquid alloys
Ga+LiGa98.3Li1.7Hg+RbHg4Rb96
ZnGaZn5InHg38.8In61.2
InGa75In25KHg6K94
InGa95In5NaHg97.4Na2.6
SnGaSn12NaHg14.8Na85.2
SnGaSn8GaGa3Hg97
KGa7KGaGa98Hg2
Tab.4  Families of Ga-based and Hg-based binary alloys
Fig.5  Dependence of nucleation undercooling on the heating and cooling rate of several room-temperature liquid metals
Fig.6  Basic scheme of CALPHAD method []
Fig.7  Illustration of Step 1 and Step 2
Fig.8  Schematic diagram of batch preparation of alloy samples
Fig.9  Schematic diagram of ion implantation
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