Physics Meets Mineralogy: MgO – The Simplest Oxide
Physics Meets Mineralogy: MgO – The Simplest Oxide
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DOI：
10.1017/cbo9780511896590.008
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发表时间：
2000
期刊：
影响因子：
--
通讯作者：
R. Cohen
中科院分区：
文献类型：
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作者：
R. Cohen
方镁石或 MgO 是一种简单的离子矿物，但多体相互作用非常重要。热状态方程、弹性、熔化、热导率和扩散率已经通过第一性原理方法（即基础物理学）进行了研究。总体上与实验有很好的一致性。对 MgO 的研究提供了有关地球深处矿物的高压行为的基本信息。MgO（方镁石）是最简单的氧化物，一直是大量实验和理论研究的主题。氧化物和硅酸盐构成了地幔和地壳的大部分，因此了解和预测它们的行为非常重要。氧化镁作为典型氧化物的行为是了解地球大部分矿物和岩石行为的关键。 MgO 的一个重要特征是氧 O2~ 离子的非刚性行为，这使得相互作用不能用成对相互作用来描述。所有其他更复杂的氧化物都具有此特征，但也增加了额外的复杂性。 MgO 很简单，因为根据最佳计算，它是一种离子材料，在超过 500 GPa 之前不会发生固态相变。如果我们了解 MgO，我们将不会立即了解所有其他氧化物和硅酸盐，但如果我们无法了解 MgO，我们就无法了解任何其他氧化物或硅酸盐。
Periclase, or MgO, is a simple ionic mineral, but one in which many-body interactions are important. The thermal equation of state, elasticity, melting, thermal conductivity, and diffusivity have been studied by use of first-principles methods, ie, from fundamental physics. There is generally good agreement with experiment. Studies of MgO provide fundamental information on the high-pressure behavior of minerals in the deep Earth.MgO, periclase, is the simplest oxide and has been a subject of intense experimental and theoretical study. Oxides and silicates make up the bulk of the Earth's mantle and crust, and thus it is important to understand and predict their behavior. The behavior of MgO, as the prototypical oxide, is the key to understanding mineral and rock behavior in the bulk of the Earth. An important feature of MgO is the nonrigid behavior of the oxygen O2~ ion, which makes the interactions not describable by pairwise interactions. All other more complex oxides share this feature and add additional complications as well. MgO is simple in that it is an ionic material with no solid-state phase transitions until over 500 GPa according to the best computations. If we understand MgO we will not immediately understand all other oxides and silicates, but if we cannot understand MgO, we cannot understand any other oxide or silicate.