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1

Solidification microstructure in a supercooled binary alloy

Wang Hongfu, Tang Cheng, An Hongen, Zhao Yuhong

Materials Science Poland

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2021

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Vol. 39, No. 3

383--394

EN

The maximum undercooling that has been achieved for Ni-Cu alloy, by using molten glass purification and cyclic super-heating technology, is 270 K. With the help of high-speed photography, the solidification front images of Ni-Cu alloy at various typical undercooling were obtained. Two grain refinements occurred in the range of 60 K< ΔT < 100 K and ΔT > 170 K, the solidification front became smoother, and the solidification position appeared randomly. With the increase of undercooling, the transition from solute diffusion to thermal diffusion leads to the transition from coarse dendrite to directional fine dendrite. At large undercooling, considerable stress is accumulated and some dislocations exist in the microstructure. However, the proportion of high-angle grain boundaries is as high as 89%, with twin boundaries of 13.6% and most strain-free structures, and the microhardness decreases sharply. This indicates that the accumulated stress at large undercooling causes the plastic strains in the microstructure, and in the later stage of recalescence, part of the plastic strains is dissipated by the system and acts as the driving force to promote the recrystallization of the microstructure.

2

Synthesis, growth and studies of pristine and nickel doped L-valinium picrate crystals for organic light emitting diodes applications

Ragunathan A. S., Selvapandiyan M.

Materials Science Poland

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2020

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Vol. 38, No. 2

374--380

EN

Single crystals of L-Valinium Picrate (LVP), 0.1 mol% Ni2+ doped L-Valinium Picrate, and 0.2 mol% Ni 2+ doped L-Valinium Picrate were grown by low temperature solution growth method, especially by solvent evaporation technique at ambient temperature. Function groups and modes of vibration were identified by FT-IR studies. The grown crystals belong to monoclinic system which has been revealed by powder XRD. The estimated band gaps were found to be 3.86 eV for LVP, 3.72 eV for 0.1 mol% Ni2+ doped LVP, and 3.70 eV for 0.2 mol% Ni2+ doped LVP crystals, respectively. The PL excitation wavelength of the grown materials is 370 nm. All the elements (C, N, O, Ni, and Cl) as per molecular formula were present in the EDAX spectrum of the grown materials. The 0.2 mol% Ni2+ ion doped LVP materials had higher thermal stability (208 °C) than LVP and 0.1 mol% Ni2+ doped LVP.

3

Structural, optical, morphological and SHG studies on 8 MeV electron beam irradiated Sr(HCOO)2·2H2O crystal

Muthupoongodi S., Manickam S. Theodore David, Mahadevan C. K., Greena J. Angel Mary, Balakumar S., Ananthapadmanabhan P. V., Shajan X. Sahaya

Materials Science Poland

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2020

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Vol. 38, No. 2

236--247

EN

Strontium formate dihydrate single crystals have been grown by the slow solvent evaporation method and subjected to 8 MeV electron beam (EB) irradiation at different doses, viz. 1 kGy, 10 kGy, 50 kGy and 100 kGy. The irradiated crystals have been studied by various techniques such as FT-IR, Raman, and UV-Vis-NIR spectral analyses, powder, and high resolution X-ray diffraction, thermogravimetric analysis (TG/DTA) and second harmonic generation (SHG) measurements. The morphological features of the non-irradiated and irradiated crystals were analyzed by SEM and optical microscopy studies. It has been noticed that the SHG efficiency increases while the crystalline perfection and thermal stability of the irradiated crystals decrease with the increase of EB irradiation dose. The results indicate a significant overall tuning of physical properties of strontium formate dihydrate crystals due to irradiation.

4

An efficient Monte Carlo Potts method for the grain growth simulation of single-phase systems

Maazi Noureddine, Lezzar Balahouane

Computer Methods in Materials Science

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2020

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Vol. 20, No. 3

85--94

EN

The choice of the lattice sites to be reoriented in the Monte Carlo Potts algorithm for grain growth simulation is repeated in a non-homogeneous way. Therefore, some grains are favorably growing than others. This fact may seriously affect the simulation results. So a modified MC method is presented. Lattice sites are selected for reorientation one by one following their positions in the matrix in each Monte Carlo step (mcs). This approach ensures that the various selections of one lattice site within every mcs are eliminated, and no favorable growth of grains at the expense of others. The calculation time considerably decreases. The effect of real-time and physical temperature on the grain growth kinetics is discussed.

5

Synthesis, growth and characterization of semiorganic nonlinear optical single crystal bis(thiourea) barium nitrate (BTBN) for frequency conversion

Anbarasi A., Kumar S.M. Ravi, Raj M. Packiya, Sundar G.J. Shanmuga, Ganapathy M., Kubendiran T., Varalakshmi S.

Materials Science Poland

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2019

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Vol. 37, No. 3

381--388

EN

A novel semiorganic nonlinear optical (NLO) crystal, bis(thiourea) barium nitrate (BTBN) was synthesized and grown by slow evaporation method. Structure of the new crystalline compound was confirmed by single crystal X-ray diffraction analysis and it showed that BTBN belongs to orthorhombic crystal system. The crystalline nature of the BTBN was confirmed by powder X-ray diffraction study. Important functional groups of BTBN were identified by FT-IR spectroscopic analysis. UV-Vis-NIR spectral study showed that the grown crystal is transparent in the entire visible region with low cut off wavelength of 304 nm. BTBN exhibits a SHG efficiency which is nearly 2.38 times higher than that of KDP. The BTBN crystal has high mechanical strength and belongs to soft category, which was confirmed by micorhardness study. The thermal stability of BTBN was determined from TGA and DTA thermal study which revealed that the BTBN crystal has thermal stability up to 243.1 °C. The surface properties and presence of elements was analyzed by SEM and EDAX study, respectively.

6

Synthesis, growth and characterization of NaAl(SO4)·H2O triangular prism single crystal for inorganic NLO application

Sakthi P., Rajasekaran R., Arun A.

Materials Science Poland

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2019

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Vol. 37, No. 2

142--148

EN

An inorganic coordination complex of single crystal containing sodium and aluminum (SA) was grown at room temperature by slow evaporation technique. The crystal was characterized using single crystal X-ray diffraction (XRD), FT-IR, UV-Vis, SHG, SEM, EDX and TG/DTA analyses. The size of the grown crystal was around 17 mm × 15 mm × 5 mm. Both optical and SEM photographs confirmed that the crystal is transparent with smooth surface. The XRD data showed that the crystal belongs to the BCC crystal structure. The crystal shows excellent transparency in the entire region of visible light (cut-off value is 339 cm−1 ). The dielectric constant as well as dielectric loss of the sample was calculated by varying frequencies at different temperatures and the presence of low dielectric loss proved that this crystal can be used for the NLO application.

7

Growth, characterization and optical properties of potassium iodide (KI) doped potassium hydrogen phthalate (KHP) single crystals for optoelectronic applications

Raju R. K., Beena P., Jayanna H. S.

Materials Science Poland

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2019

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Vol. 37, No. 3

510--516

EN

Potassium iodide (KI) doped potassium hydrogen phthalate (KHP) single crystals were grown by slow evaporation technique using millipore water as a solvent. The grown single crystals were analyzed by powder X-ray diffraction and the analysis confirmed that KI-doped KHP crystallizes in orthorhombic system with space group Pca21. The functional groups were identified by FT-IR technique which showed slight shift in vibrational frequencies, indicating inclusion of dopant into the crystal lattice. The UV-Vis spectral studies revealed the optical transparency of the doped crystals in the entire visible region. The optical band gap values were estimated from Tauc plots. Kurtz-Perry powder test was employed for second harmonic generation efficiency studies of the grown crystals.

8

Enhancement of yttrium ion on the properties of L-histidine nitrate single crystal for frequency conversion applications

Sathiyanathan S., Selvapandiyan M.

Materials Science Poland

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2019

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Vol. 37, No. 4

615--621

EN

Nonlinear optical single crystals of L-histidine nitrate (LHN) as well as 0.05 mol % Y2+ doped LHN and 0.10 mol % Y2+ doped LHN were successfully grown by slow evaporation technique at room temperature. The lower cutoff wavelength and transmittance were 339 nm, 343 nm, 347 nm and 84 %, 86 % and 87 % for LHN, 0.05 mol % and 0.10 mol % yttrium doped LHN, respectively. Powder XRD studies revealed that the grown materials belong to an orthorhombic system with the space group P212121. FT-IR peak at 534 cm−1 due to yttrium coordinated with oxygen was observed. The EDAX analysis confirmed the presence of such elements as C, N, O and Y in the grown materials. High intensity PL emission peak was obtained at 420 nm.

9

Linear-nonlinear optical, dielectric and surface microscopic investigation of KH2PO4 crystal to uncover the decisive impact of dopant glycine

Khan I., Kalainathan S., Baig M. I., Shkir M., Alfaify S., Ghramh H. A., Anis M.

Materials Science Poland

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2018

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Vol. 36, No. 4

662--667

EN

Present investigation has been started to perform the comparative study of pure and glycine doped KH2PO4 (KDP) single crystals grown by most commercial slow solvent evaporation technique. The grown crystals were subjected to single crystal X-ray diffraction analysis to determine their structural parameters. The linear optical studies of pure and glycine doped KDP crystal have been undertaken within 200 nm to 1100 nm wavelength range by means of UV-Vis studies. The enhancement in second harmonic generation (SHG) efficiency of glycine doped KDP crystal has been determined using a standard Kurtz-Perry powder test. The dielectric measurements have been carried out to explore the impact of glycine dopant on dielectric constant and dielectric loss of KDP crystal. The surface growth habitat and etch pit density of glycine doped KDP crystal have been evaluated using the results of microscopic etching studies. In light of obtained results the suitability of glycine doped KDP crystal for device applications has been discussed.

10

Influence of L-threonine on the growth, structural, optical, mechanical and nonlinear optical properties of tartaric acid single crystal

Thilakavathi G., Arun Kumar R., Gunasekaran V.

Materials Science Poland

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2018

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Vol. 36, No. 4

630--637

EN

Single crystals of pure and L-threonine added tartaric acid (LT/TA), organic nonlinear optical (NLO) materials were grown from their respective aqueous solution by slow evaporation method. The crystalline nature of the grown crystals was confirmed by powder X-ray diffraction analysis (XRD). UV-Vis-NIR absorption and transmission spectra revealed that the lower cut-off wavelength was around 281 nm and the crystals exhibited high transmission over visible and near IR region. The presence of the functional groups such as O–H, C–H, C–O, C=O in the grown crystals was confirmed by FT-IR analysis. CHN analysis was carried out to confirm the presence of L-threonine in the grown crystals. Microhardness study on the crystals revealed that the hardness number Hv increased with the applied load. The growth pattern of the crystals were analyzed through etching analysis from which the etch patterns in the shape of 'step-triangle' were observed. The second harmonic generation (SHG) properties of pure and L-threonine doped tartaric acid crystals were confirmed by Kurtz-Perry powder technique.

11

Growth, spectral, density functional theory (DFT) and Hirshfeld surface analysis on 4-aminopyridinium adipate monohydrate nonlinear optical single crystal

Vasanthakumari R., Nirmala W., Santhakumari R., Meenakshi R., Sinthiya A.

Materials Science Poland

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2018

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Vol. 36, No. 2

177--184

EN

4-aminopyridinium adipate monohydrate (4APA) was grown by slow evaporation solution growth technique. The functional groups in the grown crystal were identified from FT-IR spectral evaluation. The optical properties together with transmittance of the grown crystal were obtained from UV-Vis spectroscopic study. The mechanical and thermal properties of the grown crystal were studied using Vickers microhardness and TGA/DTA analyses, respectively. Microhardness test revealed that 4-aminopyridinium adipate monohydrate crystal is a soft category material. The density functional method (DFT) was performed using B3LYP with the 6-311G (d,p) basis set. The electronic charge distribution, reactivity of the molecules and the molecular electrostatic potential (MEP) of the grown crystal were analyzed using the B3LYP method. The intermolecular interactions that exist in the crystal structure of the 4APA have also been investigated by Hirshfeld surface analysis. The nonlinear optical properties of the 4APA crystal were confirmed by Kurtz-Perry technique.

12

Modeling of dynamics of big size ZnGeP2 crystal growth by vertical Bridgman technique

Philippov M., Babushkin Y., Efimov S., Zamyatin S., Rudnicki V., Trofimov A., Gribenyukov A.

Bulletin of the Polish Academy of Sciences. Technical Sciences

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2018

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Vol. 66, nr 3

283--290

EN

The results of a modelling of big size single crystal ZnGeP2 growth dynamics in the multi-zone thermal installation based on the vertical variant of the Bridgman technique are given. Trustworthiness of the results modeling is achieved by means of creation of the mathematical model taking into account the particularities of the installation as well as the changes in installation work volume during crystallization. Temperature field changes during crystal growth by numerical technique were examined. It is demonstrated that growth container moving has a significant impact on temperature field in work volume and crystallization isotherm local position. Thus, the actual crystal growth rate differs from the nominal velocity of growth container moving. The data received as a result of modelling should be taken into account in new equipment designing, crystallization process control system development and crystal growth experiments planning.

13

Synthesis, surface tension, optical and dielectric properties of bismuth oxide thin film

Tezel F. M., Kariper A. I.

Materials Science Poland

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2017

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Vol. 35, No. 1

87--93

EN

Bismuth oxide thin film was deposited by chemical bath deposition (CBD) technique onto a glass substrate. The grain size (D), dislocation density (δ) and number of crystallites per unit area (N), i.e. structural properties of the thin film were determined as 16 nm, 39.06 x 10-4 line/nm2, 31.25 x 10-3 1/nm2, respectively. Optical transmittance properties of the thin film were investigated by using a UV-Vis spectrophotometer. The optical band gap (Eg) for direct transitions, optical transmission (T %), reflectivity (R %), absorption, refractive index (nr), extinction coefficient (k), dielectric constant (ϵ) of the thin film were found to be 3.77 eV, 25.23 %, 32.25 %, 0.59, 3.62, 0.04 and 2.80, respectively. The thickness of the film was measured by AFM, and was found to be 128 nm. Contact angles of various liquids on the oxide thin film were determined by Zisman method, and surface tension was calculated to be 31.95 mN/m.

14

Synthesis, growth and characterization of organic crystal triphenylmethane p-nitroaniline: a nonlinear optical crystal

Bhuvaneswari G., Prasad L. G., Prabhavathi N.

Materials Science Poland

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2017

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Vol. 35, No. 3

667--672

EN

A triphenylmethane-4-nitroaniline salt has been synthesized and the crystals have been grown by using slow evaporation solution growth technique. The grown single crystal was investigated by recording the powder XRD, FT-IR spectrum, UV-Vis spectrum, Vickers microhardness test, dielectric measurements and powder SHG. The growth of crystal was confirmed by analyzing the XRD pattern and it was stated that the grown material crystallized in triclinic system. Vibrational peaks of the functional groups existing in the compound were identified. Vickers microhardness studies were carried to measure the mechanical strength. In order to identify the phase transition temperature, the dielectric studies were carried out at different temperatures. Dielectric constant, dielectric loss and impedance of the crystal were monitored with respect to the frequency of electric field.

15

Investigation on optical, electrical and etching properties of 2-aminopyridinium 4-aminobenzoate: A phase matchable organic single crystal for optoelectronic device applications

Chandra L., Chandrasekaran J., Perumal K., Babu B., Jayaramakrishnan V.

Materials Science Poland

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2017

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Vol. 35, No. 1

126--134

EN

NLO active 2-aminopyridinium 4-aminobenzoate (APAB) single crystals were successfully grown by the standard slow evaporation technique. The crystallinity of the grown crystals was analyzed through X-ray diffraction (XRD) measurements. Fourier transform infrared (FT-IR) spectroscopic studies were also performed for the identification of different modes present in the compound. The UV-Vis absorption and transmittance spectra were recorded for the grown crystal and the optical band gap was calculated. Birefringence and etching studies were also carried out. The dielectric study showed that the dielectric constant decreased with an increase in frequency. The photoconductivity study revealed its positive photoconducting nature. Theoretical HOMO LUMO investigations were also made for the crystal. The relative SHG efficiency of the material was investigated by the Kurtz and Perry powder technique. The phase matching property of the crystal was studied through the SHG dependence of average particle sizes.

16

Influence of organic dopants (L-alanine and L-arginine) on structural, spectroscopic and thermal properties of ammonium dihydrogen phosphate crystal

Parikh K. D., Joshi J. H., Joshi M. J.

Materials Science Poland

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2017

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Vol. 35, No. 3

632--638

EN

Ammonium dihydrogen phosphate is a popular nonlinear optical crystal used for second harmonic generation efficiency improvement in pump lasers. Due to molecular chirality and zwitterionic structure, amino acids are used to enhance various properties of ADP crystal. The single crystals of ammonium dihydrogen phosphate (ADP) added with different concentrations (0.3 wt.%, 0.4 wt.% and 0.5 wt.%) of amino acids (L-alanine and L-arginine) impurities were grown using slow evaporation solution growth (SESG) technique at room temperature. To study the structural properties, powder XRD study was carried out which revealed that all the grown crystals have tetragonal structural symmetry. The presence of various functional groups was confirmed using FT-IR spectroscopy. The thermal spectra (TGA/DTA/DSC) were recorded for all grown samples to determine their decomposition. Also kinetic and thermodynamic parameters were determined from the thermal study.

17

Investigation on nonlinear optical and dielectric properties of L-arginine doped ZTC crystal to explore photonic device applications

Anis M., Hussaini S. S., Shirsat M. D., Muley G. G.

Materials Science Poland

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2016

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Vol. 34, No. 3

548--554

EN

The present study is focused to explore the photonic device applications of L-arginine doped ZTC (LA-ZTC) crystals using nonlinear optical (NLO) and dielectric studies. The LA-ZTC crystals have been grown by slow evaporation solution technique. The chemical composition and surface of LA-ZTC crystal have been analyzed by means of energy dispersive spectroscopy (EDS) and surface scanning electron microscopy (SEM) techniques. The Vicker’s microhardness study has been carried out to determine the hardness, work hardening index, yield strength and elastic stiffness of LA-ZTC crystal. The enhanced SHG efficiency of LA-ZTC crystal has been ascertained using the Kurtz-Perry powder SHG test. The closed-and-open aperture Z-scan technique has been employed to confirm the third order nonlinear optical nature of LA-ZTC crystal. The Z-scan transmittance data has been utilized to calculate the superior cubic susceptibility, nonlinear refractive index, nonlinear absorption coefficient and figure of merit of LA-ZTC crystal. The behavior of dielectric constant and dielectric loss of LA-ZTC crystal at different temperatures has been investigated using the dielectric analysis.

18

Czochralski Growth and Properties of Scintillating Crystals

Yoshikawa A., Chani V., Nikl M.

Zeszyty Historyczne Politechniki Warszawskiej

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2014

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z. 16

135--149

EN

The Czochralski method is one of the very few melt growth techniques that are industry friendly when considering the combination of quality, dimensions, and cost of the produced crystals suitable for their commercialization in scintillation detectors. This method is one of the oldest and most developed crystal growth processes regarding an adequate understanding the physical phenomena observed during solidification process and its practical expansion especially in the industrial scale production. It allows controllable formation of single-crystalline cylindrical ingots of various inorganic scintillation materials. The review summarizes recent progress on the Czochralski growth of a number of scintillation materials. The oxide crystals are mainly considered including the Ce and Pr-doped RE3Al5O12, RE = Y, Lu, aluminum garnets and newly discovered ultraeffcient Ce-doped Gd3(Ga,Al)5O12 multicomponent garnet, high density PbWO4 and CdWO4 tungstates, Ce-doped RE2SiO5, RE = Y, Gd, Lu, oxyorthosilicates and (Y,Lu)AlO3 aluminum perovskites and finally the classical Bi4Ge3O12 scintillator. Additionally, the details of the growth of other practically important non-oxide crystals, namely the Ce and Eu-doped LiCaAlF6 neutron and ultraeffcient Ce-doped LaBr3 scintillators, are discussed. The potential of novel micro-pulling down growth method is briefly described in the combinatorial search for new scintillator materials. Selected luminescence and scintillation characteristics including the spectra and decay kinetics, light yield and radiation resistance are also illustrated and overviewed.

19

A Review of the Automation of the Czochralski Crystal Growth Process

Winkler J., Neubert M., Rudolph J.

Zeszyty Historyczne Politechniki Warszawskiej

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2014

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z. 16

123--134

EN

On the occasion of the centennial of the invention of the Czochralski crystal growth process by the Polish scientist Jan Czochralski, a review of selected strategies for the automatic control of this process is given. This review provides a sketch of the fundamental challenges of controlling the Czochralski process and the basic concepts of feedback control. Both early and modern approaches to the control of the Czochralski process are described. The discussion focuses on questions related to feed-forward control, feedback control, and state estimation. The presented methods rely on simple mathematical process models in contrast to the finite element model-based approaches typically used in crystal growth process design and analysis. Such mathematical models motivate both the structure and parameters of the chosen controller. A comprehensive list of references to background literature on this topic completes this survey.

20

Unidirectional growth of pure and L-lysine added ADP crystals from aqueous solution

Salarian S, Dizaji H R

Materials Science Poland

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2014

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Vol. 32, No. 1

12--15

EN

Pure and L-lysine added ammonium dihydrogen phosphate (ADP) crystals were grown in the h001i direction by Sankaranarayanan-Ramasamy (S-R) method. The grown crystals were characterized by X-Ray diffractometry (XRD), UV-Vis spectroscopy, Fourier Transform Infrared (FT-IR) and Vicker’s Microhardness analysis. XRD spectrum of each of the grown crystals proved its crystallinity. The crystals showed good transparency in the entire visible region. FT-IR spectra of the specimens revealed the presence of functional groups in them. The hardness of the pure and L-lysine added ADP crystals were measured and that of the added one was found higher. Meanwhile, it was found that the ADP crystals (pure and L-lysine added) grown by S-R method had higher hardness compared to ADP crystal grown by conventional method.