Simulation of lattice orientation effects on void growth and coalescence by crystal plasticity

A three dimensional rate-dependent crystal plasticity model is applied to study the influence of crystal orientation and grain boundary on the void growth and coalescence. The 3D computational model is a unit cell including one sphere void or two sphere voids. The results of three different orientations for single crystal and bicrystals are compared. It is found that crystallographic orientation has noticeable influences on the void growth directionvoid shape, and void coalescence of single crystal. The void growth rate of bicrystals depends on the crystallographic orientations and grain boundary direction.

Friction anisotropy dependence on lattice orientation of graphene

The observation of friction anisotropy on graphene by friction measurement at atomic scale has been reported in this paper.Atomic-scale friction measurement revealed friction anisotropy with a periodicity of 60°,which is consistent with the hexagonal periodicity of the graphene.Both experiments and theory show that the value of the friction force is related to the graphene lattice orientation,and the friction force along armchair orientation is also larger than the one along zigzag orientation.These results will play a critical role in the use of graphene to manufacture nanoscale devices.

Lattice Preferred Orientation, Water Content, and Seismic Anisotropy of Orthopyroxene

Lattice preferred orientation （LPO） and seismic anisotropy of orthopyroxene （enstatite） in mantle xenoliths from Spitsbergen, Svalbard, near the Arctic, are studied. LPOs of enstatite were determined using electron backseattered diffraction （EBSD）. We found four types of LPOs of orthopyroxene and defined them as type-AC, -AB, -BC, and -ABC. Type-AC LPO of orthopyroxene is defined as （100） plane aligned subparallel to foliation and [001] axis aligned subparallel to lineation. Type-AB LPO is defined as （100） plane aligned subparallel to foliation and [010] axis aligned subparallel to linea- tion. Type-BC LPO is defined as （010） plane aligned subparallel to foliation and [001] axis aligned subparallel to lineation. Type-ABC LPO is defined as both （100） and （010） planes aligned subparallel to foliation with a girdle distribution of both [100] and [010] axes normal to lineation and [001] axis aligned subparallel to lineation. We report for the first time the type-AB, -BC, and -ABC LPO of orthopyroxerie. We found that the LPO pattern has a correlation with the content of orthopyroxene in the specimen. Nicolet 6700 FTIR （Fourier transformation infrared） study of enstatite showed that type-AC LPO was observed mostly in the samples of enstatite with low water content. It is found that the strength of the LPO of enstatite decreases with increasing water content and has a correlation with the strength of the LPO of olivine： the stronger the LPO of enstatite, the stronger the LPO of olivine. Seismic anisotropy of enstatite was smaller than that of olivine in the same specimen.

Deformation of the Subcontinental Lithospheric Mantle in NE China:Constraints from Rheological and Fabric Study of Mantle Peridotite Xenoliths from Jiaohe,Jilin Province

Mantle peridotite xenoliths in Jiaohe City,located near the northern part of the Tan-Lu fault,are key evidence for constraining the nature and evolution of the subcontinental lithospheric mantle(SCLM)of the NE China.Geochemical characteristics of Jiaohe peridotite xenoliths have been well studied,whereas the microstructures and associated fabrics remain poorly known.We report here major element composition of the constituent minerals,P-T conditions,microstructure,lattice preferred orientations(LPOs)of a set of xenoliths having coarse-grained and granuloblastic to porphyroclastic textures.These xenoliths are characterized by forsterite content of 89-91 in olivine.Dislocation microstructures,in olivine crystals revealed by oxidation decoration technique,are characterized by free dislocation,dislocation walls,dislocation loops and subgrains.Microstructures and deformation mechanism maps indicate that dislocation creep is the dominant deformation mechanism of almost anhydrous olivine in the SCLM.In most samples,the observed LPOs of olivine are typical A-type fabric.Stresses measured in the xenoliths using several olivine piezometers are~2.7-8.5 MPa.The equilibration temperature conditions,calculated using several geo-thermometers,indicate the equilibrium temperature condition of peridotites in a range of 891 to 993℃.These results provide rheological constraint on the deformation of the SCLM in Jiaohe.Combined with the data for mantle xenoliths from adjacent regions,a heterogeneous evolution of the lithosphere deformation is inferred at the Jiaohe region.We propose that characteristics of the studied peridotite may be related to the Tan-Lu fault.

The conductive path in HfO_2:first principles study

The conductive path formed by the interstitial Ag or substitutional Ag in Hf02 was investigated by using the Vienna ab initio simulation package based on the DFT theory. The calculated results indicated that the ordering of interstitial Ag ions at special positions can form a conductive path, and it cannot form at other positions.The orientation dependence of this conductive path was then investigated. Various types of super cells are also built to study the rupture of the path, which corresponds to some possible ＂off＂ states.

Optimal migration route of Cu in HfO_2

The movement of Cu in a HfO2-based resistive random access memory （RRAM） device is investigated in depth by first-principle calculations. Thermodynamics analysis shows that the dominant motion of Cu tends to be along the [001] orientation with a faster speed. The migration barriers along different routes are compared and reveal that the [001] orientation is the optimal migration route of Cu in HfO2, which is more favorable for Cu transportation. Furthermore, the preferable HfOz growth orientation along [100], corresponding to Cu migration along [001], is also observed. Therefore, it is proposed that the HfO2 material should grow along [100] and the operating voltage should be applied along [001], which will contribute to the improvement of the response speed and the reduction of power consumption of RRAM.

Homologous temperature of olivine: Implications for creep of the upper mantle and fabric transitions in olivine

The homologues temperature of a crystalline material is defined as T/Tm, where T is temperature and Tm is the melting （solidus） temperature in Kelvin. It has been widely used to compare the creep strength of crystalline materials. The melting temperature of olivine system, （Mg,Fe）2SiO4, decreases with increasing iron content and water content, and increases with confining pressure. At high pressure, phase transition will lead to a sharp change in the melting curve of olivine. After calibrating previous melting experiments on fayalite （Fe2SiO4）, the triple point of fayalite-Fe2SiO4 spinel-liquid is determined to be at 6.4 GPa and 1793 K. Using the generalized means, the solidus and liquidus of dry olivine are described as a function of iron content and pressure up to 6.4 GPa. The change of T/Tm of olivine with depth allows us to compare the strength of the up- per mantle with different thermal states and olivine composition. The transition from semi-brittle to ductile deformation in the upper mantle occurs at a depth where T/Tm of olivine equals 0.5. The lithospheric mantle beneath cratons shows much smaller T/Tm of olivine than orogens and extensional basins until the lithosphere-asthenosphere boundary where T/Tm 〉 0.66, suggesting a stronger lithosphere beneath cratons. In addition, T/Tm is used to analyze deformation experiments on olivine. The results indicate that the effect of water on fabric transitions in olivine is closely related with pressure. The hydrogen-weakening effect and its relationship with T/Tm of olivine need further investigation. Below 6.4 GPa （〈200 kin）, T/TIn of olivine controls the transition of dislocation glide from [100] slip to [001] slip. Under the strain rate of 10-12-10-15 s-1 and low stress in the upper mantle, the [100]（010） slip system （A-type fabric） becomes dominant when T/TIn〉 0.55-0.60. When T/Tm〈 0.55-0.60, [001] slip is easier and low T/Tm favors the operation of [001]（100） slip system （C-type fabric）. This is consistent with the widely observed A-type olivine fabric in naturally deformed peridotites, and the C-type olivine fabric in peridotites that experienced deep subduction in ultrahigh-pressure metamorphic terranes. However, the B-type fabric will develop under high stress and relatively low T/Tm. Therefore, the homologues temperature of olivine established a bridge to extrapolate deformation experi- ments to rheology of the upper mantle. Seismic anisotropy of the upper mantle beneath cratons should be simulated using a four-layer model with the relic A-type fabric in the upper lithospheric mantle, the B-type fabric in the middle layer, the newly formed A- or B-type fabric near the lithosphere-asthenosphere boundary, and the asthenosphere dominated by diffusion creep below the Lehmann discontinuity. Knowledge about transition mechanisms of olivine fabrics is critical for tracing the water distribution and mantle flow from seismic anisotropy.