Compressibility of FeNiP under High Pressure
-
摘要: 利用金刚石压腔技术和原位同步辐射X射线衍射技术，对FeNiP（
$P\bar 62m$ ）的压缩性进行了实验研究。常温下，FeNiP在0～23.4 GPa压力范围内保持$P\bar 62m$ 结构不变。用Birch-Murnaghan状态方程对单位晶胞体积随压力的变化关系（p-V关系）进行拟合，得到：体积模量K0=153(2) GPa，体积模量微商$K'_0 $ = 5.7(2)，零压下晶胞体积V0 = 101.6(1) Å3；或K0 = 167(1) GPa，$K'_0 $ = 4.0（固定值），V0 = 101.5(1) Å3。与Fe2P相比，FeNiP的体积模量更小，呈现出与Fe2P相反、与Ni2P相同的轴向压缩各向异性，据此探讨了Ni对(Fe,Ni)2P压缩性的影响。应用当前实验结果，估算了FeNiP、Fe2P、Fe3P、Fe2.15Ni0.85P和Fe3S在月球外核温压条件下的密度，通过与γ-Fe及月球外核密度的比较，得出Ni的加入会使“Fe-轻元素”体系的密度更接近月球外核密度，进一步阐释以多元合金体系（如Fe-Ni-S-P）为对象来研究行星核部物质组成更具合理性。Abstract: Compressibility of FeNiP ($P\bar 62m$ ) has been studied up to 23.4 GPa by using diamond anvil cells (DAC) combined with in situ synchrotron X-ray diffraction (XRD) at room temperature. FeNiP remains the hexagonal structure at experimental pressure range. The pressure-volume (p-V) data has been fitted by the Birch-Murnaghan (B-M) equation of state, yielding K0 = 153(2) GPa,$K'_0 $ = 5.7(2), V0 = 101.6(1) Å3 or K0 = 167(1) GPa,$K'_0 $ = 4.0 (fixed), V0 = 101.5(1) Å3. FeNiP has smaller bulk modulus than Fe2P, and shows analogous axial compressibility to Ni2P. This might result from nickel’s doping effect on elastic properties of (Fe,Ni)2P. The densities of FeNiP, Fe2P, Fe3P, Fe2.15Ni0.85P and Fe3S have been estimated under the pressure-temperature conditions commensurate to the Moon’s outer core. The comparison shows that the doping of nickel could make (Fe,Ni)2P and (Fe,Ni)3P’s density approaching that of the Moon’s outer core.-
Key words:
- FeNiP /
- diamond anvil cell /
- X-ray diffraction /
- Moon /
- outer core
-
图 1 FeNiP在Run 1（a）和Run 2（b）两次原位高压同步辐射XRD实验中部分压力条件下的衍射图谱（星号表示铼的衍射峰）
Figure 1. Representative synchrotron radiation XRD patterns of FeNiP at various pressures in Run 1 (a) and Run 2 (b)(The asterisks mark diffraction peaks of rhenium)
图 2 FeNiP的归一化轴长（a/a0和c/c0）及归一化轴长比值（（c/c0）/（a/a0））随压力的变化关系（Fe2P和Ni2P的p-（c/c0）/（a/a0）数据[23–24]也被列出用于比较）
Figure 2. Normalized axis length of FeNiP (a/a0 and c/c0) and normalized ratio of axis length ((c/c0)/(a/a0)) with the change of pressure (p-(c/c0)/(a/a0) data of Fe2P and Ni2P[23–24] are plotted for comparison.)
图 4 FeNiP的欧拉应变-标准化应力（εE-FE）关系
Figure 4. Eularian strain-normalized stress (εE-FE) plot of the p-V data based on the B-M equation of state
图 5 月球外核温压（4.8～5.0 GPa，1 800 K）条件下FeNiP、Fe2P、Fe3P、Fe2.15Ni0.85P、Fe3P和Fe3S的估算密度（γ-Fe和月球外核密度也绘出用以比较）
Figure 5. Calculated density of FeNiP, Fe2P, Fe3P, Fe2.15Ni0.85P, Fe3P, and Fe3S under the pressure-temperature conditions commensurate to the Moon’s outer core（4.8–5.0 GPa, 1 800 K）（Density of γ-Fe and the Moon’s outer core are plotted for comparison.）
表 1 FeNiP在不同压力下的晶胞参数
Table 1. Pressure dependence of unit-cell parameters of FeNiP
p/GPa a/Å c/Å V/Å3 p/GPa a/Å c/Å V/Å3 0.000 1 5.845（1） 3.433（1） 101.6（1） 7.9（1） 5.760（1） 3.379（1） 97.1（1） 1.0（1） 5.829（1） 3.426（1） 100.8（1） 9.1（1） 5.750（1） 3.372（1） 96.6（1） 2.8（1） 5.811（1） 3.413（1） 99.8（1） 10.5（1） 5.737（1） 3.362（1） 95.8（1） 3.3（1） 5.806（1） 3.410（1） 99.5（1） 11.6（1） 5.729（2） 3.353（2） 95.3（1） 3.8（1） 5.798（1） 3.406（1） 99.2（1） 13.5（1） 5.713（1） 3.346（1） 94.6（1） 4.8（1） 5.790（1） 3.400（1） 98.7（1） 18.1（1） 5.682（1） 3.320（1） 92.8（1） 5.7（1） 5.783（1） 3.392（1） 98.2（1） 20.7（1） 5.660（1） 3.306（1） 91.7（1） 6.6（1） 5.772（1） 3.385（1） 97.7（1） 23.4（1） 5.647（1） 3.292（1） 90.9（1） Note: Data of 1.0–9.1 GPa are from Run1, and data of 10.5–23.4 GPa are from Run 2; numbers in parentheses represent errors in the last digit. 
下载: 导出CSV
表 3 FeNiP、Fe2P、Fe3P、Fe2.15Ni0.85P和Fe3S的高温B-M状态方程参数
Table 3. High-temperature B-M equation of state parameters for FeNiP, Fe2P, Fe3P, Fe2.15Ni0.85P, and Fe3S
Material T0/K ${V_{{0,T}_0}}$/Å3 ${K_{{0T}_0}}$/GPa ${K'_{{0T}_0}}$ ${{\left( {\dfrac{{\partial {K_T}}}{{\partial T}}} \right)_p}}/({\rm{GPa}}\cdot{\rm K}^{-1})$ α0/（10–5 K–1） α1/（10–8 K–2） FeNiP 300 101.5 167 4.0 –3.75×10–2[54] 3.0[54] 2.8[54] Fe2P 300[23] 103.16[23] 175[23] 4.0[23] –3.75×10–2[54] 3.0[54] 2.8[54] Fe3P 300[20] 366.9[20] 161[20] 4.0[20] –3.75×10–2[54] 3.0[54] 2.8[54] Fe2.15Ni0.85P 300[21] 365.8[21] 185[21] 4.0[21] –3.75×10–2[54] 3.0[54] 2.8[54] Fe3S 300[54] 377.01[54] 150[54] 4.0[54] –3.75×10–2[54] 3.0[54] 2.8[54]
下载: 导出CSV
-
[1] BIRCH F. Density and composition of mantle and core [J]. Journal of Geophysical Research, 1964, 69: 4377–4388. doi: 10.1029/JZ069i020p04377 [2] DREIBUS G, WÄNKE H. Mars, a volatile-rich planet [J]. Meteoritics, 1985, 20: 367–381. [3] ANTONANGELI D, MORARD G, SCHMERR N C, et al. Toward a mineral physics reference model for the Moon’s core [J]. Proceedings of the National Academy of Sciences of the United States of America, 2015, 112(13): 3916–3919. doi: 10.1073/pnas.1417490112 [4] MCDONOUGH W F. Treatise on geochemistry: compositional model for the Earth’s core [M]. New York: Elsevier, 2003: 547–568. [5] FEI Y, PREWITT C T, MAO H K, et al. Structure and density of FeS at high pressure and high temperature and the internal structure of Mars [J]. Science, 1995, 268(5219): 1892–1894. doi: 10.1126/science.268.5219.1892 [6] STEENSTRA E S, LIN Y H, RAI N, et al. Carbon as the dominant light element in the lunar core [J]. American Mineralogist, 2017, 102(1): 92–97. doi: 10.2138/am-2017-5727 [7] SKÁLA R, CÍSAŘOVÁ I. Crystal structure of meteoritic schreibersites: determination of absolute structure [J]. Physics and Chemistry of Minerals, 2005, 31(10): 721–732. doi: 10.1007/s00269-004-0435-6 [8] BUSECK P R. Phosphide from metorites: barringerite, a new iron-nickel mineral [J]. Science, 1969, 165(3889): 169–171. doi: 10.1126/science.165.3889.169 [9] BRITVIN S N, RUDASHEVSKY N S, KRIVOVICHEV S V, et al. Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite: the occurrence and crystal structure [J]. American Mineralogist, 2002, 87(8/9): 1245–1249. [10] PRATESI G. Icosahedral coordination of phosphorus in the crystal structure of melliniite, a new phosphide mineral from the Northwest Africa 1054 acapulcoite [J]. American Mineralogist, 2006, 91(2/3): 451–454. [11] REED S J B. Perryite in the kota-kota and south Oman enstatite chondrites [J]. Mineralogical Magazine and Journal of the Mineralogical Society, 1968, 36(282): 850–854. doi: 10.1180/minmag.1968.036.282.13 [12] MA C, BECKETT J R, ROSSMAN G R. Discovery of a new phosphide mineral, monipite (MoNiP), in an Allende Type B1 CAI [C]//72nd Meeting of the Meteoritical Society, 2009, 44(Suppl 7): A127. [13] 梅清风, 杨进辉. 地球早期演化的Hf-W同位素制约 [J]. 岩石学报, 2018, 34(1): 207–216.MEI Q F, YANG J H. Hf-W isotopic constraints on early evolution of the Earth [J]. Acta Petrologica Sinica, 2018, 34(1): 207–216. [14] WOOD B J, WALTER M J, WADE J. Accretion of the Earth and segregation of its core [J]. Nature, 2006, 441(7095): 825–833. doi: 10.1038/nature04763 [15] YIN Y, LI Z M, ZHAI S M. The phase diagram of the Fe-P binary system at 3 GPa and implications for phosphorus in the lunar core [J]. Geochimica et Cosmochimica Acta, 2019, 254: 54–66. doi: 10.1016/j.gca.2019.03.037 [16] STEWART A J, SCHMIDT M W. Sulfur and phosphorus in the Earth’s core: the Fe-P-S system at 23 GPa [J]. Geophysical Research Letters, 2007, 34(13): L13201. [17] SHA L K. Whitlockite solubility in silicate melts: some insights into lunar and planetary evolution [J]. Geochimica et Cosmochimica Acta, 2000, 64(18): 3217–3236. doi: 10.1016/S0016-7037(00)00420-8 [18] STEENSTRA E S, VAN WESTRENEN W. Lunar core composition [M]//Encyclopedia of Lunar Science. Cham: Springer International Publishing, 2016: 1–6. [19] GU T T, FEI Y W, WU X, et al. Phase stabilities and spin transitions of Fe3(S1– xP x) at high pressure and its implications in meteorites [J]. American Mineralogist, 2016, 101(1): 205–210. doi: 10.2138/am-2016-5466 [20] GU T T, FEI Y W, WU X, et al. High-pressure behavior of Fe3P and the role of phosphorus in planetary cores [J]. Earth and Planetary Science Letters, 2014, 390: 296–303. doi: 10.1016/j.jpgl.2014.01.019 [21] HE X J, GUO J Z, WU X, et al. Compressibility of natural schreibersite up to 50 GPa [J]. Physics and Chemistry of Minerals, 2019, 46(1): 91–99. doi: 10.1007/s00269-018-0990-x [22] NISAR J, AHUJA R. Structure behavior and equation of state (EOS) of Ni2P and (Fe1– xNi x)2P (allabogdanite) from first-principles calculations [J]. Earth and Planetary Science Letters, 2010, 295(3/4): 578–582. [23] DERA P, LAVINA B, BORKOWSKI L A, et al. High-pressure polymorphism of Fe2P and its implications for meteorites and Earth’s core [J]. Geophysical Research Letters, 2008, 35(10): L10301. [24] DERA P, LAVINA B, BORKOWSKI L A, et al. Structure and behavior of the barringerite Ni end-member, Ni2P, at deep Earth conditions and implications for natural Fe-Ni phosphides in planetary cores [J]. Journal of Geophysical Research, 2009, 114(B3): B03201. [25] WU X, MOOKHERJEE M, GU T T, et al. Elasticity and anisotropy of iron-nickel phosphides at high pressures [J]. Geophysical Research Letters, 2011, 38(20): L20301. [26] DUBROVINSKY L, DUBROVINSKAIA N, BYKOVA E, et al. The most incompressible metal osmium at static pressures above 750 gigapascals [J]. Nature, 2015, 525: 226–229. doi: 10.1038/nature14681 [27] HAMMERSLEY A P, SVENSSON S O, HANFLAND M, et al. Two-dimensional detector software: from real detector to idealised image or two-theta scan [J]. High Pressure Research, 1996, 14(4/5/6): 235–248. [28] MAO H K, XU J, BELL P M. Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions [J]. Journal of Geophysical Research, 1986, 91(B5): 4673. doi: 10.1029/JB091iB05p04673 [29] SETO Y, NISHIO-HAMANE D, NAGAI T, et al. Development of a software suite on X-ray diffraction experiments [J]. The Review of High Pressure Science and Technology, 2010, 20(3): 269–276. doi: 10.4131/jshpreview.20.269 [30] TOBY B H. EXPGUI, a graphical user interface for GSAS [J]. Journal of Applied Crystallography, 2001, 34(2): 210–213. doi: 10.1107/S0021889801002242 [31] ANGEL R J, ALVARO M, GONZALEZ-PLATAS J. EosFit7c and a Fortran module (library) for equation of state calculations [J]. Zeitschrift für Kristallographie: Crystalline Materials, 2014, 229(5): 1165–1176. [32] FUJII H, HŌKABE T, FUJIWARA H, et al. Magnetic properties of single crystals of the system (Fe1-xNix)2P [J]. Journal of the Physical Society of Japan, 1978, 44(1): 96–100. doi: 10.1143/JPSJ.44.96 [33] MAEDA Y, TAKASHIMA Y. Mössbauer studies of FeNiP and related compounds [J]. Journal of Inorganic and Nuclear Chemistry, 1973, 35(6): 1963–1969. doi: 10.1016/0022-1902(73)80134-4 [34] BIRCH F. Finite elastic strain of cubic crystals [J]. Physical Review, 1947, 71(11): 809. doi: 10.1103/PhysRev.71.809 [35] ANGEL R J. Equations of state [J]. Reviews in Mineralogy and Geochemistry, 2000, 41(1): 35–59. doi: 10.2138/rmg.2000.41.2 [36] KLOTZ S, CHERVIN J C, MUNSCH P, et al. Hydrostatic limits of 11 pressure transmitting media [J]. Journal of Physics D: Applied Physics, 2009, 42(7): 075413. doi: 10.1088/0022-3727/42/7/075413 [37] DEWAELE A, LOUBEYRE P. Pressurizing conditions in helium-pressure-transmitting medium [J]. High Pressure Research, 2007, 27(4): 419–429. doi: 10.1080/08957950701659627 [38] RUEFF J P, RAYMOND S, YARESKO A, et al. Pressure-induced f-electron delocalization in the U-based strongly correlated compounds UPd3 and UPd2Al3: resonant inelastic X-ray scattering and first-principles calculations [J]. Physical Review B, 2007, 76(8): 085113. doi: 10.1103/PhysRevB.76.085113 [39] DEWAELE A, LOUBEYRE P, OCCELLI F, et al. Quasihydrostatic equation of state of iron above 2 Mbar [J]. Physical Review Letters, 2006, 97(21): 215504. doi: 10.1103/PhysRevLett.97.215504 [40] CHEN B, PENWELL D, KRUGER M. The compressibility of nanocrystalline nickel [J]. Solid State Communications, 2000, 115(4): 191–194. doi: 10.1016/S0038-1098(00)00160-5 [41] WILLIAMS J G, BOGGS D H, YODER C F, et al. Lunar rotational dissipation in solid body and molten core [J]. Journal of Geophysical Research: Planets, 2001, 106(E11): 27933–27968. doi: 10.1029/2000JE001396 [42] WILLIAMS J G, KONOPLIV A S, BOGGS D H, et al. Lunar interior properties from the GRAIL mission [J]. Journal of Geophysical Research: Planets, 2014, 119(7): 1546–1578. doi: 10.1002/2013JE004559 [43] LOGNONNÉ P, JOHNSON C L. Treatise in Geophysics: planetary seismology [M]. Oxford, UK: Elsevier, 2007: 69–122. [44] WIECZOREK M A. The constitution and structure of the lunar interior [J]. Reviews in Mineralogy and Geochemistry, 2006, 60(1): 221–364. doi: 10.2138/rmg.2006.60.3 [45] RAI N, VAN WESTRENEN W. Lunar core formation: new constraints from metal-silicate partitioning of siderophile elements [J]. Earth and Planetary Science Letters, 2014, 388: 343–352. doi: 10.1016/j.jpgl.2013.12.001 [46] STEENSTRA E S, RAI N, KNIBBE J S, et al. New geochemical models of core formation in the Moon from metal-silicate partitioning of 15 siderophile elements [J]. Earth and Planetary Science Letters, 2016, 441: 1–9. doi: 10.1016/j.jpgl.2016.02.028 [47] WEBER R C, LIN P Y, GARNERO E J, et al. Seismic detection of the lunar core [J]. Science, 2011, 331(6015): 309–312. doi: 10.1126/science.1199375 [48] MORARD G, BOUCHET J, RIVOLDINI A, et al. Liquid properties in the Fe-FeS system under moderate pressure: tool box to model small planetary cores [J]. American Mineralogist, 2018, 103: 1770–1779. [49] JING Z C, WANG Y B, KONO Y, et al. Sound velocity of Fe-S liquids at high pressure: implications for the Moon’s molten outer core [J]. Earth and Planetary Science Letters, 2014, 396: 78–87. doi: 10.1016/j.jpgl.2014.04.015 [50] CHI H, DASGUPTA R, DUNCAN M S, et al. Partitioning of carbon between Fe-rich alloy melt and silicate melt in a magma ocean: implications for the abundance and origin of volatiles in Earth, Mars, and the Moon [J]. Geochimica et Cosmochimica Acta, 2014, 139: 447–471. doi: 10.1016/j.gca.2014.04.046 [51] RIGHTER K, GO B M, PANDO K A, et al. Phase equilibria of a low S and C lunar core: implications for an early lunar dynamo and physical state of the current core [J]. Earth and Planetary Science Letters, 2017, 463: 323–332. doi: 10.1016/j.jpgl.2017.02.003 [52] RIGHTER K, DRAKE M J. Core formation in Earth’s Moon, Mars, and Vesta [J]. Icarus, 1996, 124(2): 513–529. doi: 10.1006/icar.1996.0227 [53] NEWSOM H E, DRAKE M J. Experimental investigation of the partitioning of phosphorus between metal and silicate phases: implications for the Earth, Moon, and Eucrite parent body [J]. Geochimica et Cosmochimica Acta, 1983, 47(1): 93–100. doi: 10.1016/0016-7037(83)90093-5 [54] CHANTEL J, JING Z C, XU M, et al. Pressure dependence of the liquidus and solidus temperatures in the Fe-P binary system determined by in situ ultrasonics: implications to the solidification of Fe-P liquids in planetary cores [J]. Journal of Geophysical Research: Planets, 2018, 123(5): 1113–1124. doi: 10.1029/2017JE005376 [55] MININ D A, SHATSKIY A F, LITASOV K D, et al. The Fe-Fe2P phase diagram at 6 GPa [J]. High Pressure Research, 2019, 39(1): 50–68. doi: 10.1080/08957959.2018.1562552 [56] CHEN B, GAO L, FUNAKOSHI K, et al. Thermal expansion of iron-rich alloys and implications for the Earth’s core [J]. Proceedings of the National Academy of Sciences of the United States of America, 2007, 104(22): 9162–9167. doi: 10.1073/pnas.0610474104 [57] TSUJINO N, NISHIHARA Y, NAKAJIMA Y, et al. Equation of state of γ-Fe: reference density for planetary cores [J]. Earth and Planetary Science Letters, 2013, 375: 244–253. doi: 10.1016/j.jpgl.2013.05.040 [58] FISCHER R A, CAMPBELL A J, CARACAS R, et al. Equations of state in the Fe-FeSi system at high pressures and temperatures [J]. Journal of Geophysical Research: Solid Earth, 2014, 119(4): 2810–2827. doi: 10.1002/2013JB010898 -
下载:
点击查看大图
图(5) / 表(3)
计量
- 文章访问数: 12287
- HTML全文浏览量: 3588
- PDF下载量: 64
