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A novel Giant Magnetostrictive Actuator (GMA) experimental system with Fiber Bragg Grating (FBG) sensing technique and its modeling method based on data driven principle are proposed. The FBG sensors are adopted to gather the multi-physics fields' status data of GMA considering the strong nonlinearity of the Giant Magnetostrictive Material and GMA micro-actuated structure. The feedback features are obtained from the raw dynamic status data, which are preprocessed by data fill and abnormal value detection algorithms. Correspondingly the Least Squares Support Vector Machine method is utilized to realize GMA online nonlinear modeling with data driven principle. The model performance and its relative algorithms are experimentally evaluated. The model can regularly run in the frequency range from 10 to 1000 Hz and temperature range from 20 to 100°C with the minimum prediction error stable in the range from -1.2% to 1.1%. [ABSTRACT FROM AUTHOR]

In terms of the local bond-orientational order (LBOO) parameters, a cluster approach to analyze local structures of simple liquids was developed. In this approach, a cluster is defined as a combination of neighboring seeds having at least nb local-orientational bonds and their nearest neighbors, and a cluster ensemble is a collection of clusters with a specified nb and number of seeds ns. This cluster analysis was applied to investigate the microscopic structures of liquid Ga at ambient pressure (AP). The liquid structures studied were generated through ab initio molecular dynamics simulations. By scrutinizing the static structure factors (SSFs) of cluster ensembles with different combinations of nb and ns, we found that liquid Ga at AP contained two types of cluster structures, one characterized by sixfold orientational symmetry and the other showing fourfold orientational symmetry. The SSFs of cluster structures with sixfold orientational symmetry were akin to the SSF of a hard-sphere fluid. On the contrary, the SSFs of cluster structures showing fourfold orientational symmetry behaved similarly as the anomalous SSF of liquid Ga at AP, which is well known for exhibiting a high-q shoulder. The local structures of a highly LBOO cluster whose SSF displayed a high-q shoulder were found to be more similar to the structure of β-Ga than those of other solid phases of Ga. More generally, the cluster structures showing fourfold orientational symmetry have an inclination to resemble more to β-Ga. [ABSTRACT FROM AUTHOR]

By simulating the rigid simple point charge extended model at temperature T = 300 K, the orientational relaxation of the OH-bond in water was investigated over short to intermediate timescales, within which molecules undergo inertial rotation and libration and then enter the rotational diffusion regime. According to the second-cumulant approximation, the orientational time correlation function (TCF) of each axis that is parallel or perpendicular to an OH-bond is related to an effective rotational density of states (DOS), which is determined using the power spectra of angular velocity autocorrelation functions (AVAFs) of the other two axes. In addition, the AVAF power spectrum of an axis was approximated as the rotational stable instantaneous normal mode (INM) spectrum of the axis. As described in a previous study [S. L. Chang, T. M. Wu, and C. Y. Mou, J. Chem. Phys. 121, 3605 (2004)], simulated molecules were classified into subensembles, according to either the local structures or the H-bond configurations of the molecules. For global molecules and the classified subensembles, the simulation results for the first- and second-rank orientational TCFs were compared with the second-cumulant predictions obtained using the effective rotational DOSs and the rotational stable- INM spectra. On short timescales, the OH-bond in water behaves similar to an inertial rotor and its anisotropy is lower than that of a water molecule. For molecules with three or more H-bonds, the OH-bond orientational TCFs are characterized by a recurrence, which is an indication for libration of the OH-bond. The recurrence can generally be described by the second-cumulant prediction obtained using the rotational stable-INM spectra; however, the orientational TCFs after the recurrence switch to a behavior similar to that predicted using the AVAF power spectra. By contrast, the OH-bond orientational TCFs of molecules initially connected with one or two H-bonds decay monotonically or exhibit a weak recurrence, indicating rapid relaxation into the rotational diffusion regime after the initial Gaussian decay. In addition to accurately describing the Gaussian decay, the second-cumulant predictions formulated using the rotational stable-INM spectra and the AVAF power spectra serve as the upper and lower limits, respectively, for the OH-bond orientational TCFs of these molecules after the Gaussian decay. [ABSTRACT FROM AUTHOR]

By exploiting the instantaneous normal mode (INM) analysis for models of flexible molecules, we investigate intermolecular and intramolecular vibrations of water from the atomic point of view. With two flexible SPC/E models, our investigations include three aspects about their INM spectra, which are separated into the unstable, intermolecular, bending, and stretching bands. First, the O- and H-atom contributions in the four INM bands are calculated and their stable INM spectra are compared with the power spectra of the atomic velocity autocorrelation functions. The unstable and intermolecular bands of the flexible models are also compared with those of the SPC/E model of rigid molecules. Second, we formulate the inverse participation ratio (IPR) of the INMs, respectively, for the O- and H-atom and molecule. With the IPRs, the numbers of the three species participated in the INMs are estimated so that the localization characters of the INMs in each band are studied. Further, by the ratio of the IPR of the H atom to that of the O atom, we explore the number of involved OH bond per molecule participated in the INMs. Third, by classifying simulated molecules into subensembles according to the geometry of their local environments or their H-bond configurations, we examine the local-structure effects on the bending and stretching INM bands. All of our results are verified to be insensible to the definition of H-bond. Our conclusions about the intermolecular and intramolecular vibrations in water are given. [ABSTRACT FROM AUTHOR]

This paper studies the melting behavior of Ag14 cluster employing the instantaneous normal mode (INM) analysis that was previously developed for bimetallic cluster Ag17Cu2. The isothermal Brownian-type molecular dynamics simulation is used to generate atom configurations of Ag14 at different temperatures up to 1500 K. At each temperature, these atomic configurations are then analyzed by the INM technique. To delve into the melting behavior of Ag14 cluster which differs from Ag17Cu2 by the occurrence of an anomalous prepeak in the specific heat curve in addition to the typical principal peak, we appeal to examining the order parameter τ(T) defined in the context of the INM method. Two general approaches are proposed to calculate τ(T). In one, τ(T) is defined in terms of the INM vibrational density of states; in another, τ(T) is defined considering the cluster as a rigid body with its rotational motions described by three orthogonal eigenvectors. Our results for Ag14 by these two methods indicate the mutual agreement of τ(T) calculated and also the consistent interpretation of the melting behavior with the specific heat data. The order parameter τ(T) provides in addition an insightful interpretation between the melting of clusters and the concept of broken symmetry which has been found successful in studies of the melting transition of bulk systems. [ABSTRACT FROM AUTHOR]

We perform isothermal Brownian-type molecular dynamics simulations to obtain the velocity autocorrelation function and its time Fourier-transformed power spectral density for the metallic cluster Ag17Cu2. The temperature dependences of these dynamical quantities from T = 0 to 1500 K were examined and across this temperature range the cluster melting temperature Tm, which we define to be the principal maximum position of the specific heat is determined. The instantaneous normal mode analysis is then used to dissect the cluster dynamics by calculating the vibrational instantaneous normal mode density of states and hence its frequency integrated value Ij which is an ensemble average of all vibrational projection operators for the jth atom in the cluster. In addition to comparing the results with simulation data, we look more closely at the entities Ij of all atoms using the point group symmetry and diagnose their temperature variations. We find that Ij exhibit features that may be used to deduce Tm, which turns out to agree very well with those inferred from the power spectral density and specific heat. [ABSTRACT FROM AUTHOR]

γ-LiAlO2 (LAO) single crystal has been grown by the Czochralski method. However, its quality was deteriorated due to lithium volatilization during the crystal growth. The full width at half maximum value drops from 116.9 to 44.2 arc sec after the LAO slice was treated by vapor transport equilibration at 1000, 1100, and 1200 °C/48 h in sequence. The treated slice shows higher optical transmission than the as-grown one in the measured wavelength range of 190–1900 nm, meanwhile, its absorption edge exhibits a blueshift. According to Raman spectra, the treated slice has homogeneous quality at different depths from surface to 0.01 mm. The expansion coefficient of the treated slice for a axis drops from 17.2398×10-6/°C to 16.5240×10-6/°C, and that for c axis drops from 10.7664×10-6/°C to 10.0786×10-6/°C. [ABSTRACT FROM AUTHOR]

We fabricate 2.6 μm InGaAs photodetectors by MBE technology and study its dark current mechanisms. Deep-level transient spectroscopy (DLTS) demonstrates a deep-level trap located at Ec - 0.25 eV in the absorption layer. Using the trap parameters, a dark current model is constructed and the device simulation generates the dark current characteristic which agrees well with the experimental data. The model suggests that the dark current at low reverse voltage is dominated by the Shockley-Read-Hall (SRH) and trap-assisted tunneling (TAT). Furthermore, it predicts some basic rules for suppressing the dark current in 2.6 μm InGaAs detectors. [ABSTRACT FROM AUTHOR]

We demonstrate a method for fabricating high-quality Ge-dot/Si multilayered structures. High-density self-assembled Ge dots are grown on amorphous Si layer periodically by low-pressure chemical vapor deposition, and then the amorphous Si are crystallized through Ni-based metal-induced lateral crystallization. Optical microscopy, micro-Raman spectroscopy, and electron microscopy observations reveal that the crystallized Si film has large leaflike grains elongated along the lateral crystallization direction, which shows (110) preference. Furthermore, this preference is found to deliver to different Si layers. The strain shift of Ge dots deduced from Raman spectroscopy reveals a formation of a high-quality interface between the crystallized Si and Ge dot. [ABSTRACT FROM AUTHOR]

We deposited SrBi2Ta2O9 (SBT) thin films on silicon–nitride (SiN) buffered Si(100) substrates to form metal–ferroelectric–insulator–semiconductor structures and observed a significant influence of the buffer layer thickness on the magnitude and direction of the capacitance–voltage (C–V) memory window. As the SiN buffer layer thickness was decreased from 6 nm to 2 nm, the C–V memory hysteresis direction changed from memory direction dominated by ferroelectric polarization (i.e., counterclockwise for n-Si) to a trapping-related hysteresis direction (i.e., clockwise for n-Si). The memory windows for both cases exhibited a similar temperature dependence. The memory window approached zero at temperatures from 340 °C to 380 °C, which corresponds to the Curie temperature (TC) of the ferroelectric SBT films. When the temperature was returned to room temperature, the hysteresis windows were recovered. A detailed study has led us to believe that the switching of polarization of the ferroelectric SBT plays a key role in the observed temperature dependence, for both the ferroelectric polarization-dominated and the trapping-dominated memory window. [ABSTRACT FROM AUTHOR]

Measures at room temperature the photoluminescence spectra of the thermally oxidized Si[sub 1-x-y]Ge[sub x]C[sub y] thin films grown on silicon substrates by plasma-enhanced chemical vapor deposition. Wet oxidization of the thin films; Observation of the photoluminescence band.

Examines the electrode dependence of hydrogen-induced degradation in Pb(Zr,Ti)O[sub 3] and SrBi[sub 2]Ta[sub 2]O[sub 9] thin films. Basis of the model on the catalytic activities of the top electrode; Explanation of the recovery phenomenon resulting from oxygen annealing; Fabrication of samples on Pt/SiO[sub 2]/Si bottom electrodes.

γ-LiAlO2 (LAO) single crystal has been grown by the Czochralski method. However, its quality was deteriorated due to lithium volatilization during the crystal growth. The full width at half maximum value drops from 116.9 to 44.2 arc sec after the LAO slice was treated by vapor transport equilibration at 1000, 1100, and 1200 °C/48 h in sequence. The treated slice shows higher optical transmission than the as-grown one in the measured wavelength range of 190–1900 nm, meanwhile, its absorption edge exhibits a blueshift. According to Raman spectra, the treated slice has homogeneous quality at different depths from surface to 0.01 mm. The expansion coefficient of the treated slice for a axis drops from 17.2398×10-6/°C to 16.5240×10-6/°C, and that for c axis drops from 10.7664×10-6/°C to 10.0786×10-6/°C. [ABSTRACT FROM AUTHOR]

In terms of the local bond-orientational order (LBOO) parameters, a cluster approach to analyze local structures of simple liquids was developed. In this approach, a cluster is defined as a combination of neighboring seeds having at least nb local-orientational bonds and their nearest neighbors, and a cluster ensemble is a collection of clusters with a specified nb and number of seeds ns. This cluster analysis was applied to investigate the microscopic structures of liquid Ga at ambient pressure (AP). The liquid structures studied were generated through ab initio molecular dynamics simulations. By scrutinizing the static structure factors (SSFs) of cluster ensembles with different combinations of nb and ns, we found that liquid Ga at AP contained two types of cluster structures, one characterized by sixfold orientational symmetry and the other showing fourfold orientational symmetry. The SSFs of cluster structures with sixfold orientational symmetry were akin to the SSF of a hard-sphere fluid. On the contrary, the SSFs of cluster structures showing fourfold orientational symmetry behaved similarly as the anomalous SSF of liquid Ga at AP, which is well known for exhibiting a high-q shoulder. The local structures of a highly LBOO cluster whose SSF displayed a high-q shoulder were found to be more similar to the structure of β-Ga than those of other solid phases of Ga. More generally, the cluster structures showing fourfold orientational symmetry have an inclination to resemble more to β-Ga.