The spin-polarized transport properties of a high-spin-state spin-crossover molecular junction with zigzag-edge graphene nanoribbon electrodes have been studied using density functional theory combined with the nonequilibrium Green's-function formalism. The molecular junction presents integrated spintronic functionalities such as negative differential resistance behavior, spin filter and the spin rectifying effect, associated with the giant magnetoresistance effect by tuning the external magnetic field. Furthermore, the transport properties are almost unaffected by the electrode temperature. The microscopic mechanism of these functionalities is discussed. These results represent a step toward multifunctional molecular spintronic devices on the level of the individual spin-crossover molecule.

The Yixingzhai gold deposit is a quartz‐vein–type deposit accompanied by skarn iron and porphyry molybdenum mineralization. There are four crypto‐explosive breccia pipes which provide an important ore‐controlling structure. Here we investigate the composition and compositional zoning of the native gold, garnet, and epidote in the Tietangdong skarn breccia pipe through detailed petrography, electron probe microanalysis, and elemental mapping. The native gold compositions show that they were formed in a relative higher temperature condition. Based on their composition and optical characteristics, the zoning in garnet can be divided into three types. The garnets of Generations 1 and 3 show high contents of spessartine (2.91–10.17 mol%) and grossular (20.94–54.71 mol%) and anomalous birefringence, indicating that they formed under relatively higher pressure and temperature and lower oxygen fugacity. The garnets of Generation 2 are mainly composed of andradite (75.70–99.98 mol%) and show compositional homogeneity, with formation under relative lower pressure and temperature and higher oxygen fugacity conditions. Magmatic‐hydrothermal pulses and multiple crypto‐explosions could be the main geological processes that caused the formation of the zoning textures. Zoning in epidote is more complex than that in garnet, and from core to the rim, the iron content shows an abrupt increase and aluminium content shows decrease. There is also decrease in iron and increase in aluminium in the inner part. These features might record multiple crypto‐explosion processes. Combining the complex replacement features of iron oxides and sulphides in the breccia pipe, we suggest that the Tietangdong breccia pipe formed through several crypto‐explosions. The fluid system in the breccia pipe activated during multiple crypto‐explosions, and oxygen fugacity varied greatly, which was disadvantageous to the accumulation and precipitation of ore‐forming elements. Crypto‐explosions destroyed the ore bodies formed during the early stage, resulting in their scattered distribution throughout the breccia pipe. Cone fractures formed eventually with the shrinking of the cooling breccia pipe after the magmatism ceased. Those fractures provided important ore‐hosting structures for the gold mineralization during the late stage. Our research indicates that there is high prospecting potential for porphyry Mo, Cu, and Au deposits in the deeper domains of the breccia pipes.

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As a high-resolution geophysical method employed by the oil and gas industry, well logging can be used to accurately investigate reservoirs. Challenges associated with shale gas reservoir exploration increase the importance of applying elastic parameters or velocity at the logging scale. An efficient shale rock physics model is the foundation for the successful application of this method. We propose a procedure for modelling shale rock physics in which an appropriate modelling method is applied for different compositions of shale rock. The stiffnesses of the kerogen and fluid (oil, gas or water) mixture are obtained with the Kuster-Toksöz model, which assumes that the fluid is included in the kerogen matrix. A self-consistent approximation method is used to model clay, where the clay pores are filled with formation water. The Backus averaging model is then used to simulate the influence of laminated clay and laminated kerogen. Elastic parameter simulations using well logging data show the importance of treating the volume fractions of laminated clay and kerogen carefully. A comparison of the measured compressional slowness and modelled compressional slowness shows the efficiency of the proposed modelling procedure.

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