Molecular dynamics study of the structures and bulk moduli of crystals in the system CaO-MgO-Al2O3-SiO2

Molecular dynamics (MD) simulations have been used to calculate the structures and bulk moduli of crystals in the system CaO-MgO-Al₂O₃-SiO₂ (CMAS) using an interatomic potential model (CMAS94), which is composed of pairwise additive Coulomb, van der Waals, and repulsive interactions. The crystals studied, total of 27, include oxides, Mg meta- and ortho-silicates, Al garnets, and various Ca or Al bearing silicates, with the coordination number of cations ranging 6 to 12 for Ca, 4 to 12 for Mg, 4 to 6 for Al, and 4 and 6 for Si. In spite of the simplicity of the CMAS94 potential and the diversity of the structural types treated, MD simulations are quite satisfactory in reproducing well the observed structural data, including the crystal symmetries, lattice parameters, and average and individual nearest neighbour Ca-O, Mg-O, Al-O, and Si-O distances. In addition MD simulated bulk moduli of crystals in the CMAS system compare well with the observed values.     

Molecular dynamics study of pressure-induced transformation of quartz-type GeO2

We simulated quartz-type GeO₂ and investigated its high-pressure transformation using the molecular dynamics (MD) simulation method with a model potential. The calculated results under hydrostatic compression indicated that a pressure-induced amorphization of quartz-type GeO₂ originated from the mechanical instability of the quartz lattice as, in previous theoretical studies of SiO₂. Furthermore, quartz-type GeO₂ directly transformed to a rutile-like structure with only subtle displacements of ions under σ _{x y} imposed shear stressed decompression. This is the first reproduction of the quartz-to-rutile transformation. A possible pathway of this transition is proposed in this study. Received: 14 April 1999 / Revised, accepted: 11 August 1999     

Out‐of‐plane stability assessment of buckling‐restrained braces including connections with chevron configuration

One of the key limit states of buckling‐restrained braces (BRBs) is global flexural buckling including the effects of the connections. The authors have previously proposed a unified explicit equation set for controlling the out‐of‐plane stability of BRBs based on bending‐moment transfer capacity at the restrainer ends. The proposed equation set is capable of estimating BRB stability for various connection stiffnesses, including initial out‐of‐plane drift effects. However, it is only valid for symmetrical end conditions, limiting application to the single diagonal configuration. In the chevron configuration, the out‐of‐plane stiffness in the two ends differs because of the rotation of the attached beam. In this study, the equation set is extended to BRBs with asymmetric end conditions, such as the chevron configuration. Cyclic loading tests of the chevron configuration with initial out‐of‐plane drifts are conducted, and the results are compared with the proposed equation set, which is formulated as a function of the normalized stiffness of the attached beam. © 2016 The Authors. Earthquake Engineering & Structural Dynamics published by John Wiley & Sons Ltd. © 2016 The Authors. Earthquake Engineering & Structural Dynamics published by John Wiley & Sons Ltd.     

Velocity distributions of high-velocity ejecta from regolith targets

We measured the velocity distributions of impact ejecta with velocities higher than ∼100 m s⁻¹ (high-velocity ejecta) for impacts at variable impact angle α into unconsolidated targets of small soda-lime glass spheres. Polycarbonate projectiles with mass of 0.49 g were accelerated to ∼250 m s⁻¹ by a single-stage light-gas gun. The impact ejecta are detected by thin aluminum foils placed around the targets. We analyzed the holes on the aluminum foils to derive the total number and volume of ejecta that penetrated the aluminum foils. Using the minimum velocity of the ejecta for penetration, determined experimentally, the velocity distributions of the high-velocity ejecta were obtained at α=15°, 30°, 45°, 60°, and 90°. The velocity distribution of the high-velocity ejecta is shown to depend on impact angle. The quantity of the high-velocity ejecta for vertical impact (α=90°) is considerably lower than derived from a power-law relation for the velocity distribution on the low-velocity ejecta (less than 10 m s⁻¹). On the other hand, in oblique impacts, the quantity of the high-velocity ejecta increases with decreasing impact angle, and becomes comparable to those derived from the power-law relation. We attempt to scale the high-velocity ejecta for oblique impacts to a new scaling law, in which the velocity distribution is scaled by the cube of projectile radius (scaled volume) and a horizontal component of impactor velocity (scaled ejection velocity), respectively. The high-velocity ejecta data shows a good correlation between the scaled volume and the scaled ejection velocity.     

Equations of state of CaSiO3 Perovskite: a molecular dynamics study

The molar volumes and bulk moduli of CaSiO₃ perovskite are calculated in the temperature range from 300 to 2,800 K and the pressure range from 0 to 143 GPa using molecular dynamics simulations that employ the breathing shell model for oxygen and the quantum correction in addition to the conventional pairwise interatomic potential models. The performance of five equations of state, i.e., the Keane, the generalized-Rydberg, the Holzapfel, the Stacey–Rydberg, and the third-order Birch–Murnaghan equations of state are examined using these data. The third-order Birch–Murnaghan equation of state is found to have a clear tendency to overestimate the bulk modulus at very high pressures. The Stacey–Rydberg equation of state degrades slightly at very high pressures along the low-temperature isotherms. In comparison, the Keane and the Holzapfel equations of state remain accurate in the whole temperature and pressure range considered in the present study. K ₀′ derived from the Holzapfel equation of state also agrees best with that calculated independently from molecular dynamics simulations. The adiabatic bulk moduli of CaSiO₃ perovskite along lower mantle geotherms are further calculated using the Keane and the Mie-Grüneisen–Debye equations of state. They are found to be constantly higher than those of the PREM by ~5%, and also very similar to those of the MgSiO₃ perovskite. Our results support the view that CaSiO₃ perovskite remains invisible in the Earth’s lower mantle.     

Cyclic tests on steel and concrete‐filled tube frames with Slit Walls

Cyclic loading tests were performed on three one‐storey steel frames and four three‐storey concrete‐filled tube (CFT) moment frames reinforced with a new type of earthquake‐resisting element consisting of a steel plate shear wall with vertical slits. In this shear wall system, the steel plate segments between the slits behave as a series of flexural links, which provide fairly ductile response without the need for heavy stiffening of the wall. The steel shear walls and the moment frames behaved in a ductile manner up to more than 4% drift without abrupt strength degradation or loss of axial resistance. Results of these tests and complementary analysis provide a basis for an equivalent brace model to be employed in commercially available frame analysis programs. Test and analytical results suggest that the horizontal force is carried by the bolts in the middle portion of the wall–frame connection, while the vertical forces coupled with the moment in the connection are resisted by the bolts in the edge portion of the connection, for which the friction bolts in the connection should be designed. When sufficient transverse stiffening is provided, full plastic strength and non‐degrading hysteretic behaviour can be achieved for this new type of shear wall. Copyright © 2006 John Wiley & Sons, Ltd.     

Multiple parent bodies of ordinary chondrites

Thermal histories of chondrite parent bodies are calculated from an initial state with material in a powder-like form, taking into account the effect of consolidation state on thermal conductivity. The very low thermal conductivity of the starting materials makes it possible for a small body with a radius of less than 100 km to be heated by several hundred degrees even if long-lived radioactive elements in chondritic abundances are the only source of heat. The maximum temperature is determined primarily by the temperature at which sintering of the constituent materials occurs. The thermal state of the interior of a chondrite parent body after sintering has begun is nearly isothermal. Near the surface, however, where the material is unconsolidated and the thermal conductivity is much lower, the thermal gradient is quite large. This result contradicts the conventional “onion-shell” model of chondrite parent bodies. But because the internal temperature is almost constant through the whole body, it supports a “multiple-parent bodies” model, according to which each petrologic type of chondrite comes from a different parent body.