MISFIT及MISFIT-GOODNESS在同址记录一致性中的应用研究

对同址观测的地震计所记录的安静时段背景噪声、天然地方震、远震事件分别进行MISFIT分析,并参考MISFIT-GOODNESS的结果,给出两台地震计记录一致性的评价,对基于不同目的波形分析给出使用记录波形的合理频段范围,提高数据应用的可靠性。

Modification of the Peierls-Nabarro model for misfit dislocation

For a misfit dislocation,the balance equations satisfied by the displacement fields are modified,and an extra term proportional to the second-order derivative appears in the resulting misfit equation compared with the equation derived by Yao et al.This second-order derivative describes the lattice discreteness effect that arises from the surface effect.The core structure of a misfit dislocation and the change in interfacial spacing that it induces are investigated theoretically in the framework of an improved Peierls-Nabarro equation in which the effect of discreteness is fully taken into account.As an application,the structure of the misfit dislocation for a honeycomb structure in a two-dimensional heterostructure is presented.

Equilibrium position of misfit dislocation dipole and critical parameters of buried strained nanoscale inhomogeneity in system of viscoelastic matrix

A theoretical model was suggested which describes the generation of the misfit dislocation dipole in the system of the viscoelastic matrix containing a circular stiff nanoscale inhomogeneity.The critical condition of misfit dislocation dipole and the solution of equilibrium position were given.The influence of the ratio of shear modulus,the misfit strain and viscosity on the equilibrium of the dislocation and critical parameter of inhomogeneity was investigated.The result shows that the equilibrium position de increases with the increase of the ratio of original shear modulus and the effect decreases with the increase of viscosity of matrix.Along with the increase of viscosity of matrix,de first increases and then decreases and possesses maximum value when t=0.3τ and tends to a stable value when t≥1.0τ.Along with the increase of viscosity of matrix,Rc first decreases and then increases and possesses minimum value when t=0.3τ and tends to a stable value when t≥1.0τ.

Reflection full-waveform inversion using a modified phase misfit function

Reflection full-waveform inversion （RFWI） updates the low- and high- wavenumber components, and yields more accurate initial models compared with conventional full-waveform inversion （FWI）. However, there is strong nonlinearity in conventional RFWI because of the lack of low-frequency data and the complexity of the amplitude. The separation of phase and amplitude information makes RFWI more linear. Traditional phase-calculation methods face severe phase wrapping. To solve this problem, we propose a modified phase-calculation method that uses the phase-envelope data to obtain the pseudo phase information. Then, we establish a pseudophase-information-based objective function for RFWI, with the corresponding source and gradient terms. Numerical tests verify that the proposed calculation method using the phase-envelope data guarantees the stability and accuracy of the phase information and the convergence of the objective function. The application on a portion of the Sigsbee2A model and comparison with inversion results of the improved RFWI and conventional FWI methods verify that the pseudophase-based RFWI produces a highly accurate and efficient velocity model. Moreover, the proposed method is robust to noise and high frequency.

Misfit strains inducing voltage decay in LiMn_(y)Fe_(1-y)PO_(4)/C

LiMn_(y)Fe_(1-y)PO_(4) is considered a promising cathode material for next-generation lithium-ion batteries(LIBs) due to its high energy density and low cost. Its energy density degradation is often ascribed to the capacity loss during cycling. However, in this study, we find that the energy density degradation mainly roots in voltage decay. We have synthesized a series of LiMn_(y)Fe_(1-y)PO_(4) /C(0.5 ≤ y ≤ 0.8) and find this voltage decay is correlated with the Mn content. A high amount Mn leads to a heavier voltage decay.In-situ X-ray diffraction(XRD) and high-resolution transmission electron microscopy(HRTEM) reveal the nature of this effect, which show a mismatch along the b-axis of-2.68%(charge) and +3.4%(discharge), a volume misfit of-4.41%(charge) and +4.54%(discharge) between Li_(x)Mn_(y)Fe_(1-y)PO_(4) and Mn_(y)Fe_(1-y)PO_(4) during phase transitions. The resultant misfit strains during Li+insertion compared to extraction result in structural degradations, such as amorphization and impurity(Mn F3) accumulation after cycling. The voltage decay can be alleviated by kinetic relaxations and recovered by a wild reannealing. This work demonstrates effective strategies to improve the energy density and cycling performance of LiMn_(y)Fe_(1-y)PO_(4) /C,providing good references for other LIB cathodes, such as the Li-rich cathodes.

Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy:molecular dynamic simulations

The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni3Al, the interaction between H impurity and the misfit dislocation and the effect of H impurity on the moving misfit dislocation. The calculated energies and simulation results show that the misfit dislocation attracts H impurity which is located at the γ/γ′ interface and Ni3Al and H impurity on the glide plane can obstruct the glide of misfit dislocation, which is beneficial to improving the mechanical properties of Ni based superalloys.

Bonding Strength of Ni/Ni3Al Interface with Different Lattice Misfit

The interfacial binding covalent bond density (CBD) and the local environmental total bond order (LTBO) of the Ni/Ni3Alinterface with different lattice misfits (δ) were calculated by using first-principles discrete variation Xα method. It was foundthat the effects of lattice misfits on the electronic structures of incoherent Ni/Ni3Al interface were very obvious. On one hand,less than -0.6% negative lattice misfit can promote the binding strength of γ/γ′ interface. On the other hand, the totalbonding strength of γ/γ′ interface decreases with increasing δ. Therefore, the magnitude and sign of lattice misfit must becarefully controlled for balancing the high temperature creep strength of Ni-base single crystal superalloy and the structuralstability of γ/γ′interface when one designs a new Ni-base single crystal superalloy.

Non-uniform,axisymmetric misfit strain:in thin films bonded on plate substrates/substrate systems:the relation between non-uniform film stresses and system curvatures

Current methodologies used for the inference of thin film stress through curvature measurements are strictly restricted to stress and curvature states which are assumed to remain uniform over the entire film/substrate system. By considering a circular thin film/substrate system subject to non-uniform, but axisymmetric misfit strain distributions in the thin film, we derived relations between the film stresses and the misfit strain, and between the plate system＇s curvatures and the misfit strain. These relations feature a “local” part which involves a direct dependence of the stress or curvature components on the misfit strain at the same point, and a “non-local” part which reflects the effect of misfit strain of other points on the location of scrutiny. Most notably, we also derived relations between the polar components of the film stress and those of system curvatures which allow for the experimental inference of such stresses from full-field curvature measurements in the presence of arbitrary radial non-uniformities. These relations also feature a “non-local” dependence on curvatures making a full-field measurement a necessity. Finally, it is shown that the interfacial shear tractions between the film and the substrate are proportional to the radial gradients of the first curvature invariant and can also be inferred experimentally.

Electron delocalization enhances the thermoelectric performance of misfit layer compound(Sn_(1-x)Bi_(x)S)_(1.2)(TiS_(2))_(2)

The misfit layer compound(SnS)_(1.2)(TiS_(2))_(2)is a promising low-cost thermoelectric material because of its low thermal conductivity derived from the superlattice-like structure.However,the strong covalent bonds within each constituent layer highly localize the electrons thereby it is highly challenging to optimize the power factor by doping or alloying.Here,we show that Bi doping at the Sn site markedly breaks the covalent bonds networks and highly delocalizes the electrons.This results in a high charge carrier concentration and enhanced power factor throughout the whole temperature range.It is highly remarkable that Bi doping also significantly reduces the thermal conductivity by suppressing the heat conduction carried by phonons,indicating that it independently modulates phonon and charge transport properties.These effects collectively give rise to a maximum ZT of 0.3 at 720 K.In addition,we apply the single Kane band model and the Debye–Callaway model to clarify the electron and phonon transport mechanisms in the misfit layer compound(SnS)_(1.2)(TiS_(2))_(2).

Nankai Trough Velocity Structure Reconstruction using FWI of Wide-angle OBS Data with Graph-space Optimal Transport Misfit Function

Technical development oriented on the detailed seismic imaging and velocity model building coupled with rapid increase of the computing power available nowadays make it possible to process large volumes of seismic data using numerically intensive approaches based the wavefield propagation.

Robust elastic impedance inversion using L1-norm misfit function and constraint regularization

The classical elastic impedance （EI） inversion method, however, is based on the L2-norm misfit function and considerably sensitive to outliers, assuming the noise of the seismic data to be the Guassian-distribution. So we have developed a more robust elastic impedance inversion based on the Ll-norm misfit function, and the noise is assumed to be non-Gaussian. Meanwhile, some regularization methods including the sparse constraint regularization and elastic impedance point constraint regularization are incorporated to improve the ill-posed characteristics of the seismic inversion problem. Firstly, we create the Ll-norm misfit objective function of pre-stack inversion problem based on the Bayesian scheme within the sparse constraint regularization and elastic impedance point constraint regularization. And then, we obtain more robust elastic impedances of different angles which are less sensitive to outliers in seismic data by using the IRLS strategy. Finally, we extract the P-wave and S-wave velocity and density by using the more stable parameter extraction method. Tests on synthetic data show that the P-wave and S-wave velocity and density parameters are still estimated reasonable with moderate noise. A test on the real data set shows that compared to the results of the classical elastic impedance inversion method, the estimated results using the proposed method can get better lateral continuity and more distinct show of the gas, verifying the feasibility and stability of the method.

Thermoelectric Properties of Misfit Layered Bismuth-Based Rhodium Oxides, (Bi,Pb)₂Sr₂Rh₂O_y

Rhodium oxides, including a misfitlayered structure with alternate stacking of a rock salttype layer and a hexagonal RhO2 layer, are expected to have good thermoelectric properties. Among them, the thermoelectric properties (electrical conductivity (σ), Seebeck coefficient (S), Figure of merit (ZT) and calculated thermal conductivity (κ) by S, σ, ZT, and absolute temperature (T)) of bismuth-based rhodium oxides ((Bi1-x,Pbx) 2Sr2Rh2Oy, x = 0 and 0.02, hereafter BSR and BPSR, respectively) were investigated. In comparison with Bi2Sr2Co2Oy (BSC) at 700°C, S and κ enhanced (increased S, 110 (BSR) and 105 μV K-1 (BPSR) from 85 μV K-1 (BSC) and decreased κ, 0.32 (BSR) and 0.50 W m-1 K-1 (BPSR) from 1.75 W m-1 K-1 (BSC)), whereas σ decreased (15 (BSR) and 31 S cm-1 (BPSR) from 70 S cm-1 (BSC)). BPSR reached the highest ZT value of 0.067 at 700°C, compared to those of 0.056 (BSR) and 0.027 (BSC).

Misfit-layered compound PbTiS_3 with incommensurate modulation:Transmission electron microscopy analysis and transport properties

The microstructural characteristic of the misfit-layered compound PbTiS3 has been studied with transmission electron microscopy. All the incommensurate modulation-induced satellite spots and main diffraction spots of basic sublattices can be indexed systematically with a superspace group method. Finally, the relationship between the electronic transport properties and the crystal structure is discussed.

Critical misfit of epitaxial growth metallic thin films

The critical misfit of epitaxial growth metallic thin films f_c was thermodynamically considered. It is found that there exists a competition between the energy of the misfit dislocation of film and non-coherent interface energy of film-substrate. Equilibrium between these energies was present at a critical atomic misfit f_c. When the atomic misfit is larger than the critical value, epitaxial growth does not occur. The critical misfit of the epitaxial growth thin films can be predicted. The results show that f_c is proportional to the non-coherent interface energy of the film-substrate, and inversely proportional to the elastic modulus and the thickness of the film.

Role of misfit in precipitation crystallography in non-ferrous metals

The crystallography and morphology of precipitates in different systems were rationalized based on the optimum matching conditions. The interfaces that obey these conditions were conveniently identified in reciprocal space,in terms of three △g's parallelism rules. The theoretic basis of the O-lattice and CSL/DSC theory for these rules was provided briefly. Examples of small lattice misfit system(a Ti alloy),and large lattice misfit systems(Al and Mg alloys) were presented. The effect of lattice parameters on the orientation relationship and morphology was also discussed.

High Hole Mobility of GaSb Relaxed Epilayer Grown on GaAs Substrate by MOCVD through Interfacial Misfit Dislocations Array

The structural property of GaSb epilayers grown on semi-insulator GaAs （001） substrate by metalorganic chemical vapor deposition （MOCVD） using Triethylgallium （TEGa） and trimethylantimony （TMSb）, was investigated by variation of the Sb：Ga （V/Ill） ratio. An optimum V/Ill ratio of 1.4 was determined in our growth conditions. Using transmission electron microscopy （TEM）, we found that there was an interracial misfit dislocations （IMF） growth mode in our experiment, in which the large misfit strain between epilayer and substrate is relaxed by periodic 90 deg. IMF array at the hetero-epitaxial interface. The rms roughness of a 300 nm-thick GaSb layer is only 2.7 nm in a 10μm×10μm scan from atomic force microscopy （AFM） result. The best hole density and mobility of 300 nm GaSb epilayer are 5.27xi06 cm-3（1.20×106） and 553 cm2-V-l.s-1 （2340） at RT （77 K） from Hall measurement, respectively. These results indicate that the IMF growth mode can be used in MOCVD epitaxial technology similar to molecular beam epitaxy （MBE） technology to produce the thinner GaSb layer with low density of dislocations and other defects on GaAs substrate for the application of devices.

Measurements of γ/γ' Lattice Misfit and γ' Volume Fraction for a Ru-containing Nickel-based Single Crystal Superalloy

A conventional X-ray difFractometer has been used to determine the -y/y＇ lattice misfit and γ＇ volume fraction for a Ru-containing nickel-based single crystal superalloy at room temperature. The rocking curve was used to characterize the distribution of subgrains. The diffraction peaks obtained by w-20 scan were used to determine the γ/γ＇ lattice misfit and γ＇ volume fraction. A three peaks fitting model was proposed. The peak fitting results are in good agreement with the model. The X-ray diffraction results indicate that the nickel-based single crystal superalloy was not a perfect monocrystalline material, which is comprised of many subgrains; and each subgrain also consists of large numbers of mosaic structures. In addition, two anomalous reflection phenomena were found during the experiment and discussed with respect to their occurrence and impact on the measurement. The experimental results show that the γ/γ＇ lattice misfit and ~/r volume fraction will be various at the different regions of its dendritic microstructure. The average γ/γ＇ lattice misfit and γ＇ volume fraction of the experimental alloy are approximately-0.2% and 70%, respectively. Furthermore, the γ＇ volume fraction calculated by atom microprobe （AP） data is also basically consistent with the experimental results.

First-Principles Study of the Influence of Lattice Misfit on the Behavior and the Ductility Effect of Hafnium in Ni-Ni3AI System

Two Ni/Ni3Al-interface-contained cluster models with/without lattice misfit are studied by first-principles method to clarify the debates about the segregation behaviors of Hafnium （Hf） and explore the influence of lattice misfit on the ductility effect of Hr. It is found that though Hf prefers to substitute A1 rather than Ni in Ni3A1 phase within most of the investigated misfit range, its stronger preferring to Ni phase than NiaA1 phase makes it impossible to go into Ni3A1 phase to occupy A1 site in Ni-Ni3A1 alloys. Bond order analysis in Hf-free case shows that lattice misfit has different effects on the Griffith work of interfacial cleavage 27int/E and the maximum theoretical shear stress Zmax of Ni and Ni3A1, contributing to the existence of anomalous strength-temperature phenomena in NiaA1 alloys. However, the addition of Hf will make the 27int/E （or Zmax） of both Ni3A1 and Ni decrease （or increase） with lattice misfit, indicating that the addition of Hf may make the anomalous strength-temperature relationship in Ni3A1 region disappear locally.

The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in Ni-Ni_3Al System with Lattice Misfit

The influence of lattice misfit on the occupation behavior and the ductility effect of Zr in Ni-Ni3Al alloys were explored. It is found in energy analysis that the preferable site of Zr between Ni sublattice and Al sublattice will change under different lattice misfit, however, the Zr prefers to segregate Ni phase rather than Ni3Al phase in all lattice misfit range, which makes it impossible for Zr to go into Ni3Al phase to occupy Al sublattice in Ni-Ni3Al system. Bond order （BO） analysis shows that the localized ductility effect of Zr differs in different region, and the comparison between Zr-free and Zr-doped BO analysis successfully explain the mechanism of the embrittlement of Ni-Ni3Al alloys and the ductility effect of Zr.

Ultrastrong steel via minimal lattice misfit and high-density nanoprecipitation

Subject Code:E01 With the support from the National Natural Science Foundation of China,significant progress has been made in developing maraging steels with high performances by the research group led by Prof.LV Zhaoping(吕昭平)from the State Key Laboratory for Advanced Metals and Materials,University