• Journal of the Mineralogical Society of Korea
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• v.5 no.2
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• pp.72-78
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• 1992

The Earth outer core accomodates moderately considerable amount of lighter elements than pure iron itself. Hydrogen is one of the possible candidates of minor constituents in the outer core. It would be worth while to extend for the pressure effect on the solubility of hydrogen in the metal-hydrides including iron hydride. In view of hydrogen being one of the potential substitutes for petroleum, searching a more efficient way for storing hydrogen in the form of hydrides is of considerable value. For two purposes, $TiH_2$was selected among lot of hydrides for its characteristics under pressure and temperature. There have been two kinds of experiment carried out on $TiH_2$ under different experimental conditions. As one of these attempts, polycrystalline $TiH_2$ was loaded up to 15 GPa stepwise at the constant temperature 500${\circ}$ using a piston-cylinder diamond anvil cell equipped with a miniature furnace of an electric power supply. The X-ra diffraction technique was employed on the quenched samples after the simultaneous high pressure and temperature treatments. During these high pressure-temperature runs, and irreversible phase of $TiH_2$ has been observed at the pressures higher than 11.3 GPa, which would be assigned to the orthorhombic crystal system as one of the new phase(s) of $TiH_2$. Molar volume change on this phase transition is ∼10%.

• Economic and Environmental Geology
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• v.49 no.1
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• pp.23-30
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• 2016

Powder samples of natural lawsonite (Ca-lawsonite, $CaAl_2Si_2O_7(OH)_2{\cdot}H_2O$) was studied structurally up to 8 GPa at room temperature using monochromatic synchrotron X-ray powder diffraction and a diamond anvil cell (DAC) with a methanol : ethanol : water (16 : 3 : 1 by volume) mixture solution as a penetrating pressure transmitting medium (PTM). Upon pressure increase, lawsonite does not show any apparent pressure induced expansion (PIE) or phase transition. Pressure-volume data were fitted to a second-order Birch-Murnaghan equation of state using a fixed pressure derivative of 4 leading to a bulk modulus ($B_0$) of 146(6) GPa. This compression is further characterized to be isotropic with calculated linear compressibilities of ${\beta}^a=0.0022GPa^{-1}$, ${\beta}^b=0.0024GPa^{-1}$, and ${\beta}^c=0.0020GPa^{-1}$.

• Journal of the Mineralogical Society of Korea
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• v.26 no.1
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• pp.35-44
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• 2013

Synthetic carbon-coated olivine-like structured lithium iron phosphate ($Li^+Fe^{2+}(PO_4)^{3-}/C$) powder composites were compressed up to 35.0 GPa in the symmetrical diamond anvil cell at room temperature. Bulk modulus of $LiFePO_4/C$ was determined to be $130.1{\pm}10.3$ GPa. New peak appears at the d-spacing of 3.386 ${\AA}$ above 18 GPa, and another new one at 2.854 ${\AA}$ around 35 GPa. The crystallographic symmetry of the sample (i.e. orthorhombic) is apparently retained up to 35 GPa as no clear evidence for the phase transition into spinel structure has been observed. The pressure-induced volume change in the M1 site ($Li^+O_6$) is more significant than those in M2($Fe^{2+}O_6$) and $PO_4$ tetrahedral sites.

• Journal of the Korean Chemical Society
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• v.32 no.1
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• pp.9-14
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• 1988

Perovskite type compounds of the $La_{1-x}Ca_xFeO_{3-y}$ system were prepared from stoichiometric mixtures of La_2O_3,\;CaCO_3$, and Fe(NO-3)_3{\cdot}9H_2O$ by heating at 1100$^{\circ}C$ for 24 hours. The crystallographic structures of the solid solutions of all compositions were orthorhombic systems. X-ray diffraction and Mohr salt analysis revealed that at higher y value the phase transition due to vacancy ordering occured and that the lattice volume decreased when the x value was increased. The value of nonstoichiometric ratio y were found to be in the range of $0.0{\sim}0.5$. Electrical conductivities of this systems are measured in temperature range of -100 to 100$^{\circ}C$. Ionic contribution to total conductivity was found from activation energy in the phase containing the open pathway due to vacancy ordering.

• Progress in Superconductivity and Cryogenics
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• v.23 no.3
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• pp.45-50
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• 2021

In this study, the effect of the size of B powder on the critical current density (J_c) of MgB₂ prepared by an in situ reaction process was investigated. Various combinations of B powders were made using a micron B, ball-milled B and nano B powders. Micron B powder was reduced by ball milling and the milled B powder was mixed with the micron B or nano B powder. The mixing ratios of the milled B and micron or nano B were 100:0, 50:50 and 0:100. Non-milled micron B powder was also mixed with nano powder in the same ratios. Pellets of (2B+Mg) prepared with various B mixing ratios were heat-treated to form MgB₂. T_c of MgB₂ decreased slightly when the milled B was used, whereas the J_c of MgB₂ increased with increasing amount of the milled B or the nano powder. The used of the milled B and nano B power promoted the formation MgB₂ during heat treatment. In addition to the enhanced formation of MgB₂, the use of the powders reduced the grain size of MgB₂. The use of the milled and nano B powder increased the J_c of MgB₂. The highest J_c was achieved when 100% nano B powder was used. The J_c enhancement is attributed to the high volume fraction of the superconducting phase (MgB₂) and the large grain boundaries, which induces the flux pinning at the magnetic fields.

• Progress in Superconductivity and Cryogenics
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• v.21 no.1
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• pp.18-24
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• 2019

This study was carried out to investigate the effect of milling of boron (B), which is one of raw materials of $MgB_2$, on the critical current density ($J_c$) of $MgB_2$. B powder used in this study is semi-amorphous B (Pavezyum, Turkey, 97% purity, 1 micron). The size of B powder was reduced by planetary milling using $ZrO_2$ balls (a diameter of 2 mm). The B powder and balls with a ratio of 1:20 were charged in a ceramic jar and then the jar was filled with toluene. The milling time was varied from 0 to 8 h. The milled B powders were mixed with Mg powder in the composition of (Mg+2B), and the powder mixtures were uniaxially pressed at 3 tons. The powder compacts were heat-treated at $700^{\circ}C$ for 1 h in flowing argon gas. Powder X-ray diffraction and FWHM (Full width at half maximum) were used to analyze the phase formation and crystallinity of $MgB_2$. The superconducting transition temperature ($T_c$) and $J_c$ of $MgB_2$ were measured using a magnetic property measurement system (MPMS). It was found that $B_2O_3$ was formed by B milling and the subsequent drying process, and the volume fraction of $B_2O_3$ increased as milling time increased. The $T_c$ of $MgB_2$ decreased with increasing milling time, which was explained in terms of the decreased volume fraction of $MgB_2$, the line broadening of $MgB_2$ peaks and the formation of $B_2O_3$. The $J_c$ at 5 K increased with increasing milling time. The $J_c$ increase is more remarkable at the magnetic field higher than 3 T. The $J_c$ at 5 K and 4 T was the highest as $4.37{\times}10^4A/cm^2$ when milling time was 2 h. The $J_c$ at 20 K also increased with increasing milling time. However, The $J_c$ of the samples with the prolonged milling for 6 and 8 h were lower than that of the non-milled sample.

• Journal of Powder Materials
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• v.22 no.5
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• pp.344-349
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• 2015

$MgB_2$ bulk superconductors are synthesized by the solid state reaction of ($MgB_4$+xMg) precursors with excessive Mg compositions (x=1.0, 1.4, 2.0 and 2.4). The $MgB_4$ precursors are synthesized using (Mg+B) powders. The secondary phases ($MgB_4$ and MgO) present in the synthesized $MgB_4$ are removed by $HNO_3$ leaching. It is found that the formation reaction of $MgB_2$ is accelerated when Mg excessive compositions are used. The magnetization curves of $Mg_1+_xB_2$ samples show that the transition from the normal state to the superconducting state of the Mg excessive samples with x=0.5 and x=0.7 are sharper than that of $MgB_2$. The highest $J_c-B$ curve at 5 K and 20 K is achieved for x=0.5. Further addition of Mg decreases the $J_c$ owing to the formation of more pores in the $MgB_2$ matrix and smaller volume fraction of $MgB_2$.

• Journal of the Mineralogical Society of Korea
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• v.31 no.1
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• pp.13-22
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• 2018

Aluminum silicates ($Al_2SiO_5$) undergo phase transitions among kyanite, andalusite, and sillimanite depending on temperature and pressure conditions. The minerals are often used as an important indicator of the degree of metamorphism for certain metamorphic rocks. In this study, we have applied classical molecular dynamics (MD) simulations and density functional theory (DFT) to the aluminum silicates. We examined the crystal structures as a function of applied pressure and the corresponding stabilities based on calculated enthalpies at each pressure. In terms of the lattice parameters, both methods showed that the volume decreases as the pressure increases as observed in the experiment. In particular, DFT results differed from experimental results by much less than 1%. As to the relative stability, however, both methods showed different levels of accuracy. In the MD simulations, a transition pressure at which the relative stability between two minerals reverse could not be determined because the enthalpies were insensitive to the applied pressure. On the other hand, in DFT calculations, the relative stability relation among the three minerals was consistent with experiment, although the transition pressure was strongly dependent on the choice of the electronic exchange-correlation functional.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.407-408
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• 2011

Natural boron consists of two stable isotopes 10B and 11B with natural abundance of 18.8 atom percent of 10B and 81.2 atom percent of 11B. The thermal neutron absorption cross-section for 10B and 11B are 3837 barn and 0.005 barn respectively. 10B enriched specific compounds are used for control rods and as a reactor coolant additives. In this work 2 methods for boron enrichment were analysed: 1) Gas irradiation in static conditions. Dissociation occurs due to multiphoton absorption by specific isotopes in appropriately tuned laser field. IR shifted laser pulses are usually used in combination with increasing the laser intensity also improves selectivity up to some degree. In order to prevent recombination of dissociated molecules BCl3 is mixed with H2S 2) SILARC method. Advantages of this method: a) Gas cooling is helpful to split and shrink boron isotopes absorption bands. In order to achieve better selectivity BCl3 gas has to be substantially rarefied (~0.01%-5%) in mixture with carrier gas. b) Laser intensity is lower than in the first method. Some preliminary calculations of dissociation and recombination with carrier gas molecules energetics for both methods will be demonstrated Boron separation in SILARC method can be represented as multistage process: 1) Mixture of BCl3 with carrier gas is putted in reservoir 2) Gas overcooling due to expansion through Laval nozzle 3) IR multiphoton absorption by gas irradiated by specifically tuned laser field with subsequent gradual gas condensation in outlet chamber It is planned to develop software which includes these stages. This software will rely on the following available software based on quantum molecular dynamics in external quantized field: 1) WavePacket: Each particle is treated semiclassicaly based on Wigner transform method 2) Turbomole: It is based on local density methods like density of functional methods (DFT) and its improvement- coupled clusters approach (CC) to take into account quantum correlation. These models will be used to extract information concerning kinetic coefficients, and their dependence on applied external field. Information on radiative corrections to equation of state induced by laser field which take into account possible phase transition (or crossover?) can be also revealed. This mixed phase equation of state with quantum corrections will be further used in hydrodynamical simulations. Moreover results of these hydrodynamical simulations can be compared with results of CFD calculations. The first reasonable question to ask before starting the CFD simulations is whether turbulent effects are significant or not, and how to model turbulence? The questions of laser beam parameters and outlet chamber geometry which are most optimal to make all gas volume irradiated is also discussed. Relationship between enrichment factor and stagnation pressure and temperature based on experimental data is also reported.

• Korean Chemical Engineering Research
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• v.50 no.5
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• pp.795-801
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• 2012

Nanoparticles have received significant attention because of their unusual characteristics including high surface area to volume ratios. Thiol ligand have been used as stabilizers of metal nanoparticles since Brust et al. They reported the preparation method of ligand capped metal nanoparticles by protecting the nanoparticles with a self-assembled monolayer of dodecanethiolate. In this method, volatile organic compounds (VOCs) were used as sovents. This study was carried out to replace these VOCs with room temperature ionic liquids (RTILs). We used two type of ILs to prepare metal nanoparticles. One is a hydrophobic IL, [BMIM][[$PF_6$] (1-Butyl-3-methylimidazolium hexafluorophosphate) purchased from IL maker, C-Tri from Korea and the other one is a hydrophilic one, [BMIM][Cl] (1-Buthy-3-methylimdazolium chloride) sinthesized by us. In the case of preparing Ag and Au nanoparticles using [BMIM][Cl], we didn't use phase transition reagents and ethanol because it has hydrophilic property and preparing Au, Ag nanoparticles using [BMIM][[$PF_6$] the method is as same as Brust et al.'s except using [BMIM][[$PF_6$] instead of organic solvent because it has hydrophobic property. FT-IR and UV-vis, TEM, TGA analysis have been used in an attempt to determine the particle size and verify functional groups. The particle size obtained from TEM was very similar to those obtained by Brust et al. This is a clear example of ligand capped metal nanoparticles prepared using ionic liquids. And the experimental result demonstrated ionic liquids can act as a highly effective medium for the preparation and stabilization of gold and silver metal nanoparticles.