Fe高压熔化线的实验研究进展

甘波; 李俊; 蒋刚; 张友君

doi:10.11858/gywlxb.20210859

Fe高压熔化线的实验研究进展

doi: 10.11858/gywlxb.20210859

甘波^1,,
李俊²,
蒋刚¹,
张友君^1,*, ,

1.
四川大学原子与分子物理研究所，四川成都　610065
2.
中国工程物理研究院流体物理研究所，四川绵阳　621999

基金项目: 国家自然科学基金（42074098，41804082）

详细信息

作者简介:
甘　波（1994－），男，博士研究生，主要从事冲击波物理与地球物理研究.E-mail：ganbo325@stu.scu.edu.cn

通讯作者:
张友君（1986－），男，博士，副研究员，主要从事高压物理与地球物理研究.E-mail：zhangyoujun@scu.edu.cn

中图分类号: O521.2; P31
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出版历程
- 收稿日期: 2021-08-02
- 修回日期: 2021-09-12

A Review of the Experimental Determination of the Melting Curve of Iron at Ultrahigh Pressures

GAN Bo^1
,,
LI Jun²,
JIANG Gang¹,
ZHANG Youjun^{1,*
, ,}

1.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, Sichuan, China
2.
Institute of Fluid Physics, CAEP, Mianyang 621999, Sichuan, China

摘要

摘要: 铁是典型的d电子过渡金属之一，其在高压下的熔化行为对于揭示地核的成分、热结构和热演化至关重要。在实验室中创造极端高温高压条件以及诊断和测量凝聚介质的熔化行为和熔化温度比较困难，导致长期以来不同实验之间以及实验与理论之间获得的铁的高压熔化线存在较大争议。近年来，随着高压实验技术的发展，对铁高压熔化线的认识逐渐趋于一致。本文介绍了用于研究铁在高压下熔化行为和熔化温度的动、静高压实验技术，总结了高压下诊断铁和过渡金属熔化的方法及其优缺点，并分析了不同实验之间产生差异的原因。基于目前关于铁高压熔化温度的实验和理论研究结果，铁在内外核边界压力（约330 GPa）下的熔化温度可限定为5900～6300 K。系统总结铁在高压下的熔化行为对于进一步认识熔化的物理机制、研究其他过渡金属的高压熔化行为等具有重要的指导和借鉴意义。
- 铁 /
- 高压熔化 /
- 静高压 /
- 动高压 /
- 地核温度
Abstract: Iron is one of the typical d-orbital transition metals. Its melting behavior and melting curve at high pressure are of great importance for revealing the composition, thermal structure, and thermal evolution of the Earth’s core. Creating the extreme high pressure-temperature conditions and measuring the melting temperatures of the condensed matters in the laboratory are quite challenging, resulting in a long-term controversy on the melting curves of iron at high pressures among various experiments and between experiments and theories. With the development of various experimental techniques, the results between experimental and theoretical studies are generally consistent with each other. This review presents the main static and dynamic compression techniques that have been used to study the high-pressure melting curve of iron in recent years; it also explores the advantages and disadvantages of melting diagnostics for iron and transition metals. The possible reasons for the discrepancy in the melting curves of iron are also discussed. Based on the experimental and theoretical results of the melting curve of iron, the melting temperature of iron can be anchored to 5900–6300 K at the pressure of the inner core boundary (ICB, about 330 GPa). Summarizing the current researches on the melting behaviors of iron under static and dynamic compression has an important implication for studying the melting curves of other transition metals, as well as the melting mechanism.
- iron /
- high-pressure melting /
- static compression /
- dynamic compression /
- Earth’s core temperature

HTML全文

图 1 LH-DAC静高压实验系统示意图^[11]

Figure 1. Schematic of static compression in a LH-DAC^[11]

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图 2 二级轻气炮动高压实验装置示意图（根据文献[117]改绘）

Figure 2. Schematic diagram of dynamic shock compression using a two-stage light gas gun (modified by Ref. [117])

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图 3 金刚石压腔静高压实验中一些典型的用于研究铁高压熔化的诊断方法与标准：(a) XRD^[10]，(b) SMS^[151]， (c) XAS^[154]，(d) 电阻率^[155]，(e) 激光功率与温度的关系^[10]

Figure 3. Some typical diagnostic methods and criteria used to study the melting behavior of iron at high pressures in heated DAC experiments: (a) XRD^[10], (b) SMS^[151], (c) XAS^[154], (d) resistivity^[155], (e) relationship between laser power and temperature^[10]

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图 4 动高压实验中常用的冲击熔化诊断方法^{[40, 120, 156]}：(a) 冲击压力与Hugoniot温度关系的不连续，(b) 沿着冲击绝热线声速的不连续，(c) 冲击下hcp结构的X射线衍射峰消失^[120]

Figure 4. Typical diagnostics for the shock-induced melting in dynamic compression experiments^{[40, 120, 156]}: (a) discontinuity of the relationship between shock pressure and Hugoniot temperature, (b) discontinuity of sound velocity along the Hugoniot, (c) the disappearance of XRD peak for hcp structure under shock loading^[120]

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图 5 铁高压熔化温度的典型静高压实验研究结果^{[10, 143-155]}（绿色、红色、蓝色和洋红色图例分别表示采用直接显微观察样品表面、XRD、SMS和XAS获得的LH-DAC静高压实验结果，橙色图例表示采用电阻率作为诊断方法获得的RH-DAC静高压实验结果）

Figure 5. Typical results of the melting temperatures of iron at high pressures using static compression experiments^{[10, 143-155]} (The green, red, blue, and magenta legends represent the experimental results of LH-DAC experiments obtained by direct microscopic observation of sample surface, XRD, SMS, and XAS as diagnostic methods, respectively; the orange legends represent the experimental results of RH-DAC experiments using resistivity measurements as the diagnostic method.)

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图 6 铁高压熔化温度的典型动高压实验研究结果^{[47, 119-120, 143, 157, 161, 163-164]}（实心图例表示采用多通道瞬态辐射高温计直接测得的铁的Hugoniot温度和熔化温度，其中绿色^[143]、蓝色^[157]和洋红色^[119]图例代表使用微米厚铁膜或铁箔、4～6个波长通道的高温计测得的Hugoniot温度，红色图例^[47]代表使用毫米厚块状铁、16个波长通道的高温计测得的Hugoniot温度；空心图例表示高功率激光加载动高压实验中采用XAS和XRD测得的铁的冲击熔化，通过热力学计算得到的Hugoniot温度）

Figure 6. Typical results of the melting temperatures of iron at high pressures by dynamic compression experiments^{[47, 119-120, 143, 157, 161, 163-164]} (The solid legends show that Hugoniot temperatures and melting temperatures of iron are directly measured by a multichannel transient radiation pyrometer; the legends of green^[143], blue^[157] and magenta^[119] represent the Hugoniot temperatures of iron measured by a pyrometer with 4–6 wavelength channels using iron film (foil) sample; the red legend^[47] represent the Hugoniot temperatures of iron measured by a pyrometer with 16 wavelength channels using bulk iron sample; the open legends represent that the Hugoniot temperatures of iron are calculated through thermodynamic calculations from the shock melting measurements by XAS and XRD in the dynamic compression experiments of high power laser loading.)

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图 7 铁高压熔化温度的典型动高压和静高压实验结果对比^{[10, 47, 120, 154-155, 163]}（动高压实验结果与静高压实验结果具有良好的一致性，尤其是采用XAS^[154]和XRD^[10]作为诊断技术的LH-DAC静高压实验和改进样品靶结构并采用多通道瞬态辐射高温计^[47]的动高压实验结果之间）

Figure 7. A comparison of the typical results on the melting temperatures of iron at high pressures obtained by the static and dynamic compression experiments^{[10, 47, 120, 154–155, 163]} (The results are generally consistent with each other between dynamic and static experiments. In particular, the results of LH-DAC static experiments using XAS^[154] and XRD^[10] as diagnostic techniques are in good agreement with those of dynamic experiments using improved pyrometry^[47].)

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图 8 铁高压熔化温度的理论模拟和热力学计算结果^[129-142]（理论研究主要包括两类：基于分子动力学或第一性原理的理论模拟以及基于热力学状态参数的热力学计算）

Figure 8. Melting temperatures of iron at high pressures using theoretical simulations and thermodynamic calculations^[129-142] (Theoretical studies mainly include two categories: simulations based on molecular dynamics or first-principles and thermodynamic calculations based on thermodynamic parameters.)

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图 9 铁高压熔化线的典型研究结果^{[10, 47, 119, 129-135, 138-139, 141, 143, 145-146, 155, 157]}（20年前铁高压熔化线的实验与理论研究结果之间存在较大的差异，而目前实验与理论研究结果之间已经基本吻合）

Figure 9. Typical results of the melting curves of iron at high pressures^{[10, 47, 119, 129-135, 138-139, 141, 143, 145-146, 155, 157]} (Twenty years ago, there was a big difference in the melting curves of iron between experimental and theoretical studies, while the current studies show an overall agreement between experimental and theoretical results.)

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表 1 高压下铁的熔化温度的实验和理论研究总结

Table 1. Summary of experimental and theoretical studies on the melting temperature of iron at high pressures

Technique	Method	Melting diagnostic	Expt. and theo. conditions		T_{M, ICB}/K	Reference, year
Technique	Method	Melting diagnostic	p/GPa	T_M(T_H)/K	T_{M, ICB}/K	Reference, year
Theory	Ab initio DFT	Free energies	50–350	3020–6860	6680±600	Ref.[129], 1999
	Thermodynamics	Database	0–330	1811–5790	5790	Ref.[130], 2000
	AIMD	Free energies	60–330	2460–7100	7100	Ref.[131], 2000
	FP-MD	A single potential	100–330	2830–5400	5400±400	Ref.[132], 2000
	Ab initio DFT	Free energies	50–350	2550–6380^a	6210±600^a	Ref.[133], 2002
	Ab initio DFT	Free energies	50–350	2890–6510^b	6350±600^b	Ref.[133], 2002
	Thermodynamics	Free energy	58–462	2840–7240	6050	Ref.[134], 2003
	FP	Number of atoms	323–332	6270–6440	6370±100	Ref.[135], 2009
	Monte Carlo	Free energies	330	6900	6900±400	Ref.[136], 2009
	Thermodynamics	Database	0–353	1810–5080	4900	Ref.[137], 2010
	AIMD	Free energies	190–1500	4500–12500	6150	Ref.[138], 2013
	AIMD	Structure	0–365	1700–6740	6350	Ref.[139], 2015
	Thermodynamics	Database	107–350	3790–6020	5880	Ref.[140], 2017
	AIMD	Free energies	330	6170	6170±200	Ref.[141], 2018
	SMM	LC	0–350	1810–5720	5570	Ref.[142], 2021
Static	LH-DAC(s)	Textural	0–102	1750–4180	7600±500	Ref.[143], 1987
		Motion	16–197	2220–3860	4850±200	Ref.[144-145], 1993
		Visual bservation	0–144	1811–3530	6130±350	Ref.[146], 1994
		XRD	11–80	2100–3090		Ref.[147-148], 2004
		XRD	60–105	2750–3510	5800±200	Ref.[149], 2004
		XRD	27–130	2580–3180		Ref.[150], 2008
		SMS	20–82	2220–3030		Ref.[151], 2013
		Fast XRD	57–158	3140–4470	6230±500	Ref.[10], 2013
		XANES	75–117	2840–3090		Ref.[152], 2015
		SMS	19–60	2120–2800	5700±200	Ref.[153], 2016
		XANES	43–133	2660–4700		Ref.[154], 2018
	RH-DAC	Resistivity	6–290	1900–5360	5500±220	Ref.[155], 2019
Dynamic (shock wave)	TSLGG	SVD	40–400	655–10024^c	5800±500	Ref.[156], 1986
	TSLGG	T-p discontinuity	202–301	5500–9370^*	7600±500	Ref.[143], 1987
	TSLGG	T-p discontinuity	203–300	5200–8990^*	7800±500	Ref.[157], 1987
	TSLGG	T-p discontinuity	159–339	4460–8360^*	6830±500	Ref.[119], 1993
	TSLGG	SVD	84–171	4380–5440^e*	6000	Ref.[158-159], 2001
	PG	SVD	14–73	1820–2780^f	5300±400	Ref.[160], 2002
	TSLGG	SVD	225–260	5100–6100^d	6350±500	Ref.[40], 2004
	HP laser	SED	50–150	4000–5000^#	7800±1200	Ref.[41], 2005
	HP laser	EXAFS	90–560	1320–8160^#	6400	Ref.[161], 2013
	TSLGG	SVD	73–127	3240–3680^e	5885±500	Ref.[162], 2009
	HP laser	XANES	260–420	5680–10800^#		Ref.[163], 2015
	HP laser	EXAFS	40–500	660–17000^#		Ref.[164], 2016
	HP laser	XRD	144–273	3100–5560^#	6400	Ref.[120], 2020
	TSLGG	SVD	120–256	4250–5500^*	5950±500	Ref.[47], 2020
Note: Superscript lowercase letters “a” and “b” represent the theoretical results of ab initio molecular dynamics simulation without and with free-energy correction, respectively; “c” and “d” represent that the Hugoniot temperatures were calculated based on the measurements of sound velocities of iron and preheated iron, respectively; “e” represents the porous iron was used in shock compression experiments; “*” represents that the Hugoniot temperatures were measured by a multi-channel quasi-spectral optical pyrometer; “#” represents that the Hugoniot temperatures were calculated through thermodynamic calculations based on the results of dynamic compression experiments of high power laser loading.

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