• Title/Summary/Keyword: crystal modification

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Identification of crystal variants in shape-memory alloys using molecular dynamics simulations

  • Wu, Jo-Fan;Yang, Chia-Wei;Tsou, Nien-Ti;Chen, Chuin-Shan
    • Coupled systems mechanics
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    • v.6 no.1
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    • pp.41-54
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    • 2017
  • Shape-memory alloys (SMA) have interesting behaviors and important mechanical properties due to the solid-solid phase transformation. These phenomena are dominated by the evolution of microstructures. In recent years, the microstructures in SMAs have been studied extensively and modeled using molecular dynamics (MD) simulations. However, it remains difficult to identify the crystal variants in the simulation results, which consist of large numbers of atoms. In the present work, a method is developed to identify the austenite phase and the monoclinic martensite crystal variants in MD results. The transformation matrix of each lattice is calculated to determine the corresponding crystal variant. Evolution of the volume fraction of the crystal variants and the microstructure in Ni-Ti SMAs under thermal and mechanical boundary conditions are examined. The method is validated by comparing MD-simulated interface normals with theoretical solutions. In addition, the results show that, in certain cases, the interatomic potential used in the current study leads to inconsistent monoclinic lattices compared with crystallographic theory. Thus, a specific modification is applied and the applicability of the potential is discussed.

Synthesis and characterization of layered basic zine p-toluenesulfonates (층상구조의 염기성 zinc p-toluenesulfonate의 합성 및 성질에 관한 연구)

  • 김형동;조영식;허영덕
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.8 no.4
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    • pp.651-654
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    • 1998
  • The layered basic zinc p-toluenesulfonates has been directly synthesized by the surface modification. The chemical formula of layered basic zinc p-toluenesulfonate is determined by CHNS and TG-DTA. From the X-ray diffraction data and the guest size, the orientation of the p-toluenesulfonate onto the zinc hydroxide layer is determined. The molecular plane of the p-toluenesulfonate lies perpendicular to the zinc hydroxide layers.

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Nanomachining on Single Crystal Silicon Wafer by Ultra Short Pulse Electrochemical Oxidation based on Non-contact Scanning Probe Lithography (비접촉 SPL기법을 이용한 단결정 실리콘 웨이퍼 표면의 극초단파 펄스 전기화학 초정밀 나노가공)

  • Lee, Jeong-Min;Kim, Sun-Ho;Kim, Tack-Hyun;Park, Jeong-Woo
    • Journal of the Korean Society of Manufacturing Technology Engineers
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    • v.20 no.4
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    • pp.395-400
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    • 2011
  • Scanning Probe Lithography is a method to localized oxidation on single crystal silicon wafer surface. This study demonstrates nanometer scale non contact lithography process on (100) silicon (p-type) wafer surface using AFM(Atomic force microscope) apparatuses and pulse controlling methods. AFM-based experimental apparatuses are connected the DC pulse generator that supplies ultra short pulses between conductive tip and single crystal silicon wafer surface maintaining constant humidity during processes. Then ultra short pulse durations are controlled according to various experimental conditions. Non contact lithography of using ultra short pulse induces electrochemical reaction between micro-scale tip and silicon wafer surface. Various growths of oxides can be created by ultra short pulse non contact lithography modification according to various pulse durations and applied constant humidity environment.

CRYSTAL TRANSITION PROCESS DURING POST-BREAKDOWN IN THE MOLTEN SALT

  • Han, S.H.;Thompson, G.E.
    • Journal of the Korean institute of surface engineering
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    • v.32 no.3
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    • pp.440-443
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    • 1999
  • The morphology and composition of anodic films, formed on aluminium at various current densities, in the range 1-$100{\;}Am^{-2}$, in the molten bisulphate melt at different temperatures (418-498K), have been studied using transmission electron microscopy of ultramicrotomed film sections, and ion beam thinned films. From the structural analysis of the electron diffraction patterns taken from the ultramicrotomed sections and ion beam thinned films, it can be concluded that the crystal modification process from ${\gamma}-Al_2O_3{\;}to{\;}{\alpha}-Al_2O_3$ proceeds in the following steps : (equation omitted)

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The effect of ultrasonic nano crystal surface modification for mitigation of the residual stress after weld inlay on the alloy 82/182 dissimilar metal welds of reactor vessel in/outlet nozzles (원자로 입출구 노즐 Alloy 82/182 이종금속 용접부 Weld Inlay 적용 후 초음파나노표면개질이 잔류응력 완화에 미치는 영향)

  • Cho, Hong Seok;Park, Ik Keun;Jung, Kwang Woon
    • Journal of Welding and Joining
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    • v.33 no.2
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    • pp.40-46
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    • 2015
  • This study was performed to investigate the effect of ultrasonic nano crystal surface modification (UNSM) on residual stress mitigation after Weld Inlay repair for butt dissimilar metal weld with Alloy 82/182 in reactor vessel In/Outlet nozzle. As-welded and Weld Inlay specimens were made in accordance with design standard of ASME Code Case N-766, and two planes of their weld specimens were peened by the optimum UNSM process condition. Peening characteristics for weld specimens after UNSM treatment were evaluated by surface roughness and Vickers hardness test. And, residual stress for weld specimens developed from before and after UNSM treatment was measured and evaluated by instrumented indentation technique. Consequently, it was revealed that the mitigation of residual stress in weld metal after Weld Inlay repair of reactor vessel In/Outlet nozzle could be possible through UNSM treatment.

Intergranular Corrosion of 316L Stainless Steel by Aging and UNSM (Ultrasonic Nano-crystal Surface Modification) treatment (시효열처리 및 UNSM 처리에 따른 316L 스테인리스강의 입계부식거동)

  • Lee, J.H.;Kim, Y.S.
    • Corrosion Science and Technology
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    • v.14 no.6
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    • pp.313-324
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    • 2015
  • Austenitic stainless steels have been widely used in many engineering fields because of their high corrosion resistance and good mechanical properties. However, welding or aging treatment may induce intergranular corrosion, stress corrosion cracking, pitting, etc. Since these types of corrosion are closely related to the formation of chromium carbide in grain boundaries, the alloys are controlled using methods such as lowering the carbon content, solution heat treatment, alloying of stabilization elements, and grain boundary engineering. This work focused on the effects of aging and UNSM (Ultrasonic Nano-crystal Surface Modification) on the intergranular corrosion of commercial 316L stainless steel and the results are discussed on the basis of the sensitization by chromium carbide formation and carbon segregation, residual stress, grain refinement, and grain boundary engineering.

Diameter Expansion of 6H-SiC Single Crystals by the Modification of Crucible Structure Design (도가니 구조 변경을 통한 6H-SiC 단결정의 직경 확장에 관한 연구)

  • Kim, Jung-Gyu;Kyun, Myung-Ok;Seo, Jung-Doo;An, Joon-Ho;Kim, Jung-Gon;Ku, Kap-Ryeol;Lee, Won-Jae;Kim, Il-Soo;Shin, Byoung-Chul
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.19 no.7
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    • pp.673-679
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    • 2006
  • A sublimation method using the SiC seed crystal and SiC powder as the source material is commonly adopted to grow SiC bulk single crystal. However, it has proved to be difficult to achieve the high quality crystal and the process reliability because SiC single crystal should be grown at very high temperature in closed system. In this study, SiC crystal boules were prepared with different angles in trapezoid-shaped graphite seed holders using sublimation physical vapor transport technique (PVT) and then their crystal quality was systematically investigated. The temperature distribution in the growth system and the crystal shape were varied with angles in trapezoid-shaped graphite seed holders, which was successfully simulated using 'Virtual Reactor'. The SiC polytype proved to be the n-type 6H-SiC from the typical absorption spectrum of SiC crystal. The micropipe densities of SiC wafers in this study were measured to be < $100/cm^2$. Consequently, SiC single crystal with large diameter was successfully achieved with changing angle in trapezoid-shaped graphite seed holders.

Preparation and Characterization of Multiwalled Carbon Nanotubes/Lyocell Composite Fibers (다중벽 탄소나노튜브/리오셀 복합섬유의 제조 및 특성조사)

  • Lu, Jiang;Zhang, Huihui;Shao, Huili;Hu, Xuechao
    • Polymer(Korea)
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    • v.31 no.5
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    • pp.436-441
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    • 2007
  • In this work, the multiwalled carbon nanotubes(MWNTs) were functionalized with sodium dodecylbenzene sulfonate(SDBS) and then MWNTs/Lyocell composite fibers were prepared. The properties of MWNTs, the functionlization on the surface of MWNTs and their dispersion in the cellulose matrix were characterized by TEM, SEM, WAXD and FT-IR. The results showed that SDBS has been coated successfully onto the surface of the MWNTs by functionlization. This can improve effectively the dispersion uniformity of MWNTs in NMMO aqueous solution and is helpful to prepare a spinnable spinning dope. Moreover, the resultant MWNTs/Lyocell composite fibers still have cellulose II crystal structure, and their tensile strength and initial modulus increased with the increasing draw ratio and reached the optimal value with adding 1 wt% MWNTs. The thermal stability of the composite fiber was also improved by the addition of the MWNTs.

Development and Evaluation of Non-Hydrous Skin Analogue Liquid Crystal using Thermo-Sensitivity Smart Sensor

  • Yoo, Kwang-Ho;Hong, Jae-Hwa;Eun, So-Hee;Jeong, Tae-Hwa;Jeong, Kwan-Young
    • Journal of the Korean Applied Science and Technology
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    • v.31 no.3
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    • pp.367-374
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    • 2014
  • In this study, skin permeation enhancement was confirmed by designing it to have a structure and composition similarity to the intercellular lipids that improve miscibility with skin by cross-linked lipids poloxamer. The cross-linked lipids poloxamer was synthesized and analyzed by 1H NMR that structure dose had conjugated pluronic with ceramide3. Active component is released by modification of liquid crystal structure because PPO part, large-scale molecule block of pluronic, has hydrophobic nature at skin temperature of $35^{\circ}C$. Conjugated pluronic with ceramide3 was synthesized using Pluronic F127 and p-NPC (4-nitrophenyl chloroformate) at room temperature yielded 89%. Pluronic(Ceramide 3-conjugated Pluronic) was synthesized by reaction of p-NP-Pluronic with Ceramide3 and DMAP. The yield was 51%. This cross-linked lipids poloxamer was blended and dissolved at isotropic state with skin surface lipids, phospholipid, ceramide, cholesterol and anhydrous additive solvent. Next step was preceded by ${\alpha}$-Transition at low temperature for making the structure of Meso-Phase Lamella, and non-hydrous skin analogue liquid crystal using thermo-sensitivity smart sensor, lamellar liquid crystal structure through aging time. For confirmation of conjugation thermo-sensitivity smart sensor and non-hydrous skin analogue liquid crystal, structural observation and stability test were performed using XRD(Xray Diffraction), DSC(Differential Scanning Calorimetry), PM (Polarized Microscope) And C-SEM (Cryo-Scanning Electron Microscope). Thermo-sensitivity observation by Franz cell revealed that synthesized smart sensor shown skin permeation effect over 75% than normal liquid crystal. Furthermore, normal non-hydrous skin analogue liquid crystal that not applied smart sensor shown similar results below $35^{\circ}C$ of skin temperature, but its effects has increased more than 30% above $35^{\circ}C$.