Analysis of deformation mechanisms in magnesium single crystals using a dedicated four-point bending tester

In this study,we explored the deformation mechanisms of Mg single crystals using a combination of scanning electron microscopy and electron backscattered diffraction in conjunction with a dedicated four-point bending tester.We prepared two single-crystal samples,oriented along the<1120>and<1010>directions,to assess the mechanisms of deformation when the initial basal slip was suppressed.In the<1120>sample,the primary{1012}twin(T1)was confirmed along the<1120>direction of the sample on the compression side with an increase in bending stress.In the<1010>sample,T1 and the secondary twin(T2)were confirmed to be along the<1120>direction,with an orientation of±60°with respect to the bending stress direction,and their direction matched with(0001)in T1 and T2.This result implies that crystallographically,the basal slip occurs readily.In addition,the<1010>sample showed the double twin in T1 on the compression side and the tertiary twin along the<1010>direction on the tension side.These results demonstrated that the maximum bending stress and displacement changed significantly under the bend loading because the deformation mechanisms were different for these single crystals.Therefore,the correlation between bending behavior and twin orientation was determined,which would be helpful for optimizing the bending properties of Mg-based materials.

A novel single-order diffraction grating: Random position rectangle grating

Spectral diagnosis of radiation from laser plasma interaction and monochromation of radiation source are hot and important topics recently. Grating is one of the primary optical elements to do this job. Although easy to fabricate, traditional diffraction grating suffers from multi-order diffraction contamination. On the other hand, sinusoidal amplitude grating has the nonharmonic diffraction property, but it is too difficult to fabricate, especially for x-ray application. A novel nonharmonic diffraction grating named random position rectangle grating（RPRG） is proposed in this paper. Theoretical analysis and experiment results show that the RPRG is both higher order diffraction suppressing and not difficult to fabricate. Additionally, it is highly efficient; its first order absolute theoretical diffraction efficiency reaches 4.1%. Our result shows that RPRG is a novel tool for radiation diagnosis and monochromation.

Neutron Diffraction Study on Structure of α－LiIO_3 Single Crystal under DC Voltage

A detailed investigation of anisotropy of neutron diffraction intensity enhancement observed in α-LiIO-3 single crystal under a DC field was carried out on a Four-Circle Neutron Diffractometer installed at the BR2 reactor in Belgium and CIAE reactor.It was found that the intensity increase must be ascribed to small displacements of oxygen and iodine atoms rather than the explanation which is only based on changes in the defect of the crystal structure,since the movement of lithium atom to interstitial sites or holes in the crystal may cause displacement of the other atoms.

Single Crystal X-Ray Diffraction Studies on Magnetic Yb₅Co₄Ge₁₀

The high quality single crystals of Yb5Co4Ge10 have been grown by the indium metal flux method and characterized by means of single crystal X-ray diffraction data. Yb5Co4Ge10 crystallizes in the Sc5Co4Si10 structure type, tetragonal space group P4/mbm and lattice constants are a = b = 12.6369(18) ? and c = 4.1378(8) ?. Crystal structure of Yb5Co4Ge10 composed of three-dimensional [Co4Ge12] network having five, six and eight membered rings. The three non-equivalent Yb atoms are sandwiched in three different channels created by the [Co4Ge12] network. Based on the bond length analysis from the crystallographic information, we confirmed that Yb1 and Yb2 atoms are in the trivalent magnetic state and Yb3 is in the divalent non-magnetic state.

Single order soft X-ray diffraction with quasi-random radius pinhole array spectroscopic photon sieves

A novel single order diffraction grating in the soft X-ray region, called quasi-random radius pinhole array spectro- scopic photon sieves （QRSPS）, is proposed in this paper. This new grating is composed of pinholes on a substrate, whose radii are quasi-random, while their centers are regular. Analysis proves that its transmittance function across the grating bar is similar to that of sinusoidal transmission gratings. Simulation results show that the QRSPS can suppress higher-order diffraction effectively. And the QRSPS would still retain its characteristic of single order diffraction when we take the effect of X-ray penetration into account. These properties indicate that the QRSPS can be used in the soft X-ray spectra measurement.

New expression of bimodal phase distributions in direct-method phasing of protein single-wavelength anomalous diffraction data

One of the essential points of the direct-method single-wavelength anomalous diffraction （SAD） phasing for proteins is to express the bimodal SAD phase distribution by the sum of two Gaussian functions peaked respectively at φh″＋｜△φh｜ and φh″-｜△φh｜. The probability for △φh being positive （P＋） can be derived based on the Cochran distribution in direct methods. Hence the SAD phase ambiguity can be resolved by multiplying the Gaussian function peaked at φh″＋｜△φh｜ with P＋ and multiplying the Gaussian function peaked at φh″-｜△φh｜ with P_ （=1- P＋）. The direct-method SAD h phasing has been proved powerful in breaking SAD phase ambiguities, in particular when anomalous-scattering signals are weak. However, the approximation of bimodal phase distributions by the sum of two Gaussian functions introduces considerable errors. In this paper we show that a much better approximation can be achieved by replacing the two Gaussian functions with two von Mises distributions. Test results showed that this leads to significant improvement on the efficiency of direct-method SAD-phasing.

Development of “Parameter space screening”-based single-wavelength anomalous diffraction phasing and structure determination pipeline

In this paper, we present a highly efficient structure determination pipeline software suite(X^2 DF) that is based on the "Parameter space screening" method, by combining the popular crystallographic structure determination programs and high-performance parallel computing. The phasing method employed in X^2 DF is based on the single-wavelength anomalous diffraction(SAD) theory. In the X^2 DF, the choice of crystallographic software, the input parameters to this software and the results display layout, are all parameters which users can select and screen automatically. Users may submit multiple structure determination jobs each time, and each job uses a slightly different set of input parameters or programs. Upon completion, the results of the calculation performed can be displayed, harvested, and analyzed by using the graphical user interface(GUI) of the system. We have applied the X^2 DF successfully to many cases including the cases that the structure solutions fail to be yielded by using manual approaches.

Single-pinhole diffraction of few-cycle isolated attosecond pulses with a two-color field

The spatio-temporal characterization of an isolated attosecond pulse is investigated theoretically in a two-color field. Our results show that a few-cycle isolated attosecond pulse With the center wavelength of 16 nm can be generated effectively by adding a weak controlling field. Using the split and delay units, the isolated attosecond pulse can be split to the two same ones, and then single-pinhole diffractive patterns of the two pulses with different delays can be achieved. The diffractive patterns depend severely on the periods of the attosecond pulses, which can be helpful to obtain temporal information of the coherent sources.

Bragg-Angle Diffraction in Slant Gratings Fabricated by Single-Beam Interference Lithography

A single-beam interference-lithography scheme is demonstrated for the fabrication of large-area slant gratings, which requires exposure of the photoresist thin film spin-coated on a glass plate with polished side-walls to a single laser beam in the ultraviolet and requires small coherence length of the laser. No additional beam splitting scheme and no adjustments for laser-beam overlapping and for optical path-length balancing are needed. Bragg-angle diffractions are observed as strong optical extinction that is tunable with changing the angle of incidence. This device is important for the design of efficient filters, beam splitters, and photonic devices.

Analysis and Prediction of Effect of Turning Marks Diffraction on Image Quality of Optical System

Single-point diamond turning (SPDT) is widely used in the machining of infrared materials and metal-based mirrors. Diamond tips can scratch material, replicate the shape of the tip, and create annular turning marks on optical surfaces, which can have unpredictable adverse effects on imaging. In order to predict the effect of turning marks diffraction on the degradation of imaging quality, a model of the influence of SPDT processing parameters on the reduction of system imaging MTF under the influence of ideal grating turning marks diffraction was established. The results show that the depth of the turning mark will lead to the decline of MTF, especially the low frequency information. Finally, a method is proposed to reduce the effect of turning marks diffraction through changing the processing parameters. .

Microstructural Characterization of the Shear Bands in Fe-Cr-Ni Single Crystal by EBSD

An investigation has been made into the microstructural characterization of the shear bands generated under high-strain rate （≈10^4 s^-1） deformation in Fe-15%Cr-15%Ni single crystal by EBSD-SEM （electron backscatter diffraction-scanning electron microscopy）, TEM （transmission electron in microscopy） and HREM （high- resolution electron microscopy）. The results reveal that the propagation of the shear band exhibits an asymmetrical behavior arising from inhomogenous distribution in plasticity in the bands because of different resistance to the collapse in different crystallographic directions; The γ-ε-α′phase transformations may take place inside and outside the bands, and these martensitic phases currently nucleate at intersections either between the twins and deformation bands or between the twins and ε-sheet. Investigation by EBSD shows that recrystallization can occur in the bands with a grain size of an average of 0.2μm in diameter. These nano-grains are proposed to attribute to the results of either dynamic or static recrystallization, which can be described by the rotational recrystallization mechanism. Calculation and analysis indicate that the strain rate inside the shear band can reach 2.50×10^6 s^-1, which is higher, by two or three orders of magnitude, than that exerted dynamically on the specimen tested.

KCl Single Crystals Growth with Mn, Ag and In Impurities by Czochralski Method and Study of Impurities Influence on Their Properties

In this research KCl, KCl:Mn, KCl:Ag and KCl:In single crystals have been grown by Czochralski method. X-ray diffraction confirms KCl single crystal formation. In this work also influence of mentioned impurities on the optical property of KCl single crystal has been studied by chemical etching. Then the hardness of these crystals have been measured by Vickers micro hardness. The result indicate the positive effect of the impurity on optical and mechanical properties.

Improvements of Traditional Laser Fraunhofer Diffraction Experiment Using Digital Image Processing Method

We present an improved digital image processing(DIP)method to calculate the widths of single slits.Different from the traditional laser Fraunhofer diffraction experiment in college physical experiments,by performing fast Fourier transform,inverse fast Fourier transform and the nonlinear leastsquare fitting on the diffraction pattern taken by a camera,the DIP method can quickly return an analytic expression,whose period is used to calculate widths of single slits.By comparing the measured results by the DIP method and the successional difference(SD)method,we find that for a single slit whose width is 60372μm,the DIP method is more accurate.Experimental results show that for single slits with widths between 40μm and 160μm,the relative error of the DIP method is less than 2.78%.Also,the DIP method can be used to measure the diameter of filament and fibres online in real time.

Electronic microscopy analysis of HAP single crystals prepared by hydrothermal method

Hydroxyapatite(HAP, Ca 10(PO 4) 6(OH) 2) is one of the quite important bone implant materials. The hydroxyapatite crystals were synthesized under hydrothermal condition. The specimen was verified to be HAP crystal by the X-ray powder diffractometry(XRD). Then the specimen was distinguished single crystal from polycrystal by the use of the transmission electron microscope(TEM). The diffraction pattern of the specimen is neatly arranged diffraction spots, that verified the crystals were single crystals. The interplanar distance d calculated from diffraction spot is coincided with that of HAP’s JCPDS card. Moreover, crystal face angles calculated from crystal face index are coincided with the values by measuring on the pattern. The HAP crystals are needle-like in shape with about 3 μm in diameter and 180 μm in length. Most of the crystals are separate whiskers. Their length/diameter ratio ranges from 40 to 100. The average ratio is about 60.

Structural and physical properties of undoped and nickel-doped BaFe_(2-x)Ni_xAs_2(x = 0,0.04) single crystals

Single crystals of undoped and nickel-doped BaFe2-xNixAs2 （x = 0, 0.04） have been grown by FeAs self-flux method. The maximum dimension of the crystal is as large as - 1 cm along ab plane. The crystalline topography of a cleaved crystal surface is examined by scanning electron microscope （SEM）. By x-ray powder diffraction （XRD） experiments using pure silicon as an internal standard, precise unit cell parameters （tetragonal at room temperature） are determined： a = 3.9606（4） A^°. （1 A^°=0.1 nm）, c = 13.015（2） A^°. for BaFe1.96Ni0.04As2 and a = 3.9590（5） A^°, c = 13.024（1） A^°for BaFe2As2. DC magnetization and transport measurements are performed to check superconducting transition （Tc = 15 K for x = 0.04） and other subtle anomalies. For BaFe1.96Ni0.04As2 crystal, the resistance curve at normal state shows two distinct anomalies associated with spin and structure transitions, and its magnetization data above - 91 K exhibit a linear temperature dependence due to spin density wave （SDW） instability.

Synthesis, Optical and Dielectric Properties of Tris-Glycine Zinc Chloride (TGZC) Single Crystals

Non-linear optical materials find wide range of applications in the fields of opto-electronics, fiber optic communication, computer memory devices etc. Tris-Glycine Zinc Chloride (TGZC) is one of the NLO materials exhibiting more efficiency. In the present study Tris-Glycine Zinc Chloride were grown is single crystal form using slow evaporation technique. Single crystal X-ray diffraction analysis reveals that the crystal belongs to orthorhombic system with the space group Pbn21. The optical absorption studies show that the crystal is transparent in the entire visible region with a cut off wavelength of 250 nm. The optical band gap is found to be 4.60 eV. The dependence of extinction coefficient (K) and refractive index (n) on the wavelength has also been reported. Force constants (k) were calculated using FTIR spectral analysis which shows higher values of k for COO and C=O stretching vibrations. The dielectric studies show that the dielectric constant and dielectric loss decrease exponentially with frequency at different temperatures (35℃, 55℃, 75℃ and 95℃).

LO-RAY-LIGH@ Diffraction Gratings in UV-VIS Spectroscopy

It has been more than half a century since the release of the first Shimadzu UV-VIS （UV-visible） spectrophotometer QB-50 in 1952, and during this time more than 160,000 UV-VIS spectrometers have been produced and installed in a wide variety of different applications. A lot of technical innovations have been implemented to improve the performance and significantly reduce the stray light levels. The latest innovation during development of sophisticated spectrophotometers is based on a new holographic exposure method and optimized etching process which has made it possible to produce both high-efficient and exceptionally low stray light gratings. These LO-RAY-LIGH~ gratings have guaranteed values of stray light at the intermediate position between zero-order and first-order lights. The values are measured by Shimadzu＇s laser stray-light-measuring system. The latest development in the series of UV-VIS spectrophotometers is the UV-2700 which is a true double beam double monochromator system in a compact design for high-precision spectral analysis of a wide range of samples including organic and inorganic compounds, biological samples, optical materials and photovoltaics. The high performance optical system is designed with ＂LO-RAY-LIGH＂ diffraction gratings, featuring highest efficiency and exceptionally low stray light. The spectrophotometer operates in the wavelength range from 185 nm to 900 nm and allows highly sophisticated applications such as direct measurement of high density samples up to 8 absorbance units without dilution.

Studies on Optical, Mechanical and Electrical Properties of Organic Nonlinear Optical p-Toluidine p-Toluenesulfonate Single Crystal

The optically transparent and bulk single crystal of p-Toluidine p-Toluenesulfonate (PTPT) was grown by slow evaporation technique. The lattice parameters and crystallinity of the grown crystal were estimated by single crystal XRD. The optical absorption of the crystal was recorded using the UV-Vis-NIR spectrophotometer. The optical bandgap and optical constants of the material were determined by using absorption spectrum. The refractive index of the grown crystal has been determined using the Brewster angle method. The dielectric constant and dielectric loss were measured as a function of frequency and temperature for the grown crystal. Nonlinear optical properties were performed to confirm the SHG efficiency of the grown crystal. Hence, PTPT is an excellent NLO material with enhanced SHG efficiency required for important applications in the field of optoelectronic and photonics. This material exhibits NLO behaviour remarkably due to its better optical and dielectric properties.

Growth, Crystal Structure and Characterization of a New Single Crystal: Lithium Sodium Acid Phthalate (LiNaP), for Third Order Nonlinear Optical Applications

A new alkali metallo-organic single crystal of Lithium Sodium Acid Phthlate (LiNaP) complex has been synthesized from aqueous solution in the equimolar ratio 3:1:2. Transparent and bulk single crystals of dimension 9 × 4 ×2 mm3 have been grown from the conventional slow-cooling technique. The crystal structure of the compound has been solved from single crystal X-ray diffraction. The compound 2[C8H4O3]4-Li3+Na+ crystallizes in triclinic system with a space group of Pī having cell dimensions a = 7.5451(2) ? b = 9.8422(3) ? c = 25.2209(7) ? α = 80.299(2);β = 89.204(2);γ = 82.7770(10). FTIR measurement was carried out fo? LiNaP to study the vibrational structure of the compound. The various functional groups present in the molecule and the role of H-bonds in stabilizing the crystal structure of the compound have been explained. Optical absorption properties were studied for the grown crystal using UV-Vis-NIR spectrum. Thermal measurements were carried out for LiNaP to determine the thermal strength as well as to ascertain the hydrated nature of the crystal. Third order nonliner optical studies have also studied by Z-scan techniques. Nonlinear absorption and nonlinear refractive index were found out and the third order bulk susceptibility of compound was also estimated. The results of all studies have been discussed in detail.

New terahertz dispersive device for single-shot spectral measurements of terahertz pulse

A new terahertz dispersive device designed for single-shot spectral measurements of broadband terahertz pulses is proposed. With two-dimensional quasi-randomly distributed element design, the device exhibits approximately the dispersive property of single-order diffraction in far field. Its far-field diffraction pattern is experimentally verified employing a continuous terahertz source centered at 2.52 THz and a pyroelectric focal-plane-array camera, which is in good agreement with the numerical result. The device provides a new approach for direct single-shot spectral measurements of broadband terahertz waves.