• Title/Summary/Keyword: Quantum simulation

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AFM-based nanofabrication with Femtosecond pulse laser radiation (원자간력 현미경(AFM)과 펨토초 펄스 레이저를 이용한 나노 형상 가공)

  • Kim Seung-Chul;Kim Seung-Woo
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 2006.05a
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    • pp.149-150
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    • 2006
  • We describe a novel method of scanning probe nanofabrication using a AFM(atomic force microscopy) tip with assistance of Femtosecond laser pulses to enhance fabrication capability. Illumination of the AFM tip with ultra-short light pulses induces a strong electric field between the tip and the metal surface, which allows removing metal atoms from the surface by means of field evaporation. Quantum simulation reveals that the field evaporation is triggered even en air when the induced electric field reaches the level of a few volts per angstrom, which is low enough to avoid unwanted thermal damages on most metal surfaces. For experimental validation, a Ti: sapphire Femtosecond pulse laser with 10 fs pulse duration at 800 nm center wavelength was used with a tip coated with gold to fabricate nanostructures on a thin film gold surface. Experimental results demonstrate that fine structures with critical dimensions less than ${\sim}10nm$ can be successfully made with precise control of the repetition rate of Femtosecond laser pulses.

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Study of the Superconductive Pipelined Multi-Bit ALU (초전도 Pipelined Multi-Bit ALU에 대한 연구)

  • Kim, Jin-Young;Ko, Ji-Hoon;Kang, Joon-Hee
    • Progress in Superconductivity
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    • v.7 no.2
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    • pp.109-113
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    • 2006
  • The Arithmetic Logic Unit (ALU) is a core element of a computer processor that performs arithmetic and logic operations on the operands in computer instruction words. We have developed and tested an RSFQ multi-bit ALU constructed with half adder unit cells. To reduce the complexity of the ALU, We used half adder unit cells. The unit cells were constructed of one half adder and three de switches. The timing problem in the complex circuits has been a very important issue. We have calculated the delay time of all components in the circuit by using Josephson circuit simulation tools of XIC, $WRspice^{TM}$, and Julia. To make the circuit work faster, we used a forward clocking scheme. This required a careful design of timing between clock and data pulses in ALU. The designed ALU had limited operation functions of OR, AND, XOR, and ADD. It had a pipeline structure. The fabricated 1-bit, 2-bit, and 4-bit ALU circuits were tested at a few kilo-hertz clock frequency as well as a few tens giga-hertz clock frequency, respectively. For high-speed tests, we used an eye-diagram technique. Our 4-bit ALU operated correctly at up to 5 GHz clock frequency.

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Influence of decorrelation on phase sensitivity in a Mach-Zehnder interferometer (매개하향변환 과정에서 발생하는 두광자의 상관관계가 Mach-Zehnder 간섭계의 분해능에 미치는 영향)

  • 김헌오;고정훈;박구동;김태수
    • Korean Journal of Optics and Photonics
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    • v.12 no.4
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    • pp.251-256
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    • 2001
  • The influences of decorrelation on phase sensitivity are studied with a computer simulation based on the Bayesian theorem, when correlated photons produced by parametric down-conversion are incident on a Mach-Zehnder interferometer. Although the down-converted photons show a perfect correlation in the production process, this degree of correlation may be decreased by reflection, absorption, and scattering during propagation. It is found that this decorrelation results in phase sensitivity degradation, and that the sensitivity is related to the detector quantum efficiency. The results show that when the phase difference between the two paths is smaller the phase sensitivity is better. etter.

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Interaction at the nanoscale of fundamental biological molecules with minerals

  • Valdre, Giovanni;Moro, Daniele;Ulian, Gianfranco
    • Advances in nano research
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    • v.1 no.3
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    • pp.133-151
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    • 2013
  • The availability of advanced nanotechnological methodologies (experimental and theoretical) has widened the investigation of biological/organic matter in interaction with substrates. Minerals are good candidates as substrates because they may present a wide variety of physico-chemical properties and surface nanostructures that can be used to actively condense and manipulate the biomolecules. Scanning Probe Microscopy (SPM) is one of the best suited techniques used to investigate at a single molecule level the surface interactions. In addition, the recent availability of high performance computing has increased the possibility to study quantum mechanically the interaction phenomena extending the number of atoms involved in the simulation. In the present paper, firstly we will briefly introduce new SPM technological developments and applications to investigate mineral surfaces and mineral-biomolecule interaction, then we will present results on the specific RNA-mineral interaction and recent basics and applicative achievements in the field of the interactions between other fundamental biological molecules and mineral surfaces from both an experimental and theoretical point of view.

Electron Redistribution of Clavalanate on Binding to a $\beta$-Lactamase

  • Sang-Hyun Park;Hojing Kim
    • Bulletin of the Korean Chemical Society
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    • v.14 no.4
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    • pp.491-496
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    • 1993
  • A class A ${\beta}$-lactamase from Staphylococcus aureus PC1 complexed with 3R,5R-clavulanate is studied. The starting geometry for the computation is the crystal structure of the ${\beta}$-lactamase. Docking of the clavulanate to the enzyme is done exploiting the requirements of electrostatic and shape complementarity between the enzyme and clavulanate. This structure is then hydrated by water molecules and refined by energy minimization and short molecular dynamics simulation. In the energy refined structure of this complex, the carboxyl group of the clavulanate is hydrogen bonded to Lys-234, and the the carbonyl carbon atom of the clavulanate is adjacent to the $O_{\gamma}$ of Ser-70. It is found that a crystallographic water molecule initially located at the oxyanion hole, which is formed by the two -NH group of Ser-70 and Gln-237, is replaced by the carbonyl oxygen atom of the 3R,5R-clavulanate after docking and energy reginement. The crystallographic water molecules are proved to be important in ligand binding. Glu-166 residue is found to be repulsive to the binding of clavulanate, which is in agreement with experimental observation. Arg-244 residue is found to be important to the binding of clavulanate as well as to interaction with C2 side chain of the clavulanate. The electron density redistribution of the clavulanate on binding to the ${\beta}$-lactamase in studied by an ab initio quantum-mechanical calculation. A significant redistribution of electron density of the clavulanate is induced by the enzyme, toward the enzyme, toward the transition state of the enzymatic reaction.

Indefinite sustainability of passive residual heat removal system of small modular reactor using dry air cooling tower

  • Na, Min Wook;Shin, Doyoung;Park, Jae Hyung;Lee, Jeong Ik;Kim, Sung Joong
    • Nuclear Engineering and Technology
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    • v.52 no.5
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    • pp.964-974
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    • 2020
  • The small modular reactors (SMRs) of the integrated pressurized water reactor (IPWR) type have been widely developed owing to their enhanced safety features. The SMR-IPWR adopts passive residual heat removal system (PRHRS) to extract residual heat from the core. Because the PRHRS removes the residual heat using the latent heat of the water stored in the emergency cooldown tank, the PRHRS gradually loses its cooling capacity after the stored water is depleted. A quick restoration of the power supply is expected infeasible under station blackout accident condition, so an advanced PRHRS is needed to ensure an extended grace period. In this study, an advanced design is proposed to indirectly incorporate a dry air cooling tower to the PRHRS through an intermediate loop called indefinite PRHRS. The feasibility of the indefinite PRHRS was assessed through a long-term transient simulation using the MARS-KS code. The indefinite PRHRS is expected to remove the residual heat without depleting the stored water. The effect of the environmental temperature on the indefinite PRHRS was confirmed by parametric analysis using comparative simulations with different environmental temperatures.

Analysis of Lateral-mode Characteristics of 850-nm MQW GaAs/(Al,Ga)As Laser Diodes (850 nm GaAs/AlGaAs MQW LD의 Lateral-mode 특성 연구)

  • Yang, Jung-Tack;Kwak, Jung-Geun;Choi, An-Sik;Kim, Tae-Kyung;Choi, Woo-Young
    • Korean Journal of Optics and Photonics
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    • v.32 no.2
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    • pp.55-61
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    • 2021
  • The lateral-mode characteristics of 850-nm GaAs/(Al,Ga)As multiple-quantum-well laser diodes and their influence on the kinks in output optical power are investigated. For the investigation, self-consistent electro-thermal-optical simulation and measurement of fabricated devices are used. From this investigation, the optimal P-cladding thickness that provides single-lateral-mode operation is determined, so that high beam quality can be achieved even at high output powers.

Optical Characterization of Light-Emitting Diodes Grown on the Cylinder Shape 300 nm Diameter Patterned Sapphire Substrate (300 nm Diameter Cylinder-Shape 나노패턴 기판을 이용한 LEDs의 광학적 특성)

  • Kim, Sang Mook;Kim, Yoon Seok
    • Korean Journal of Materials Research
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    • v.29 no.1
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    • pp.59-64
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    • 2019
  • This study investigates the optical characteristics of InGaN multiple quantum wells(MQWs) light emitting diodes(LEDs) on planar sapphire substrates(PSSs), nano-sized PSS(NPSS) and micro-sized PSS(MPSS). We obtain the results as the patterning size of the sapphire substrates approach the nanometer scale: The light from the back side of the device increases and the total light extraction becomes larger than the MPSS- and planar-LEDs. The experiment is conducted by Monte Carlo ray-tracing, which is regarded as one of the most suitable ways to simulate light propagation in LEDs. The results show fine consistency between simulation and measurement of the samples with different sized patterned substrates. Notably, light from the back side becomes larger in the NPSS LEDs. We strongly propose that the increase in the light intensity of NPSS LEDs is due to an abnormal optical distribution, which indicates an increase of extraction probability through NPSS.

HPC Technology Through SC20 (SC20를 통해 본 HPC 기술 동향)

  • Eo, I.S.;Mo, H.S.;Park, Y.M.;Han, W.J.
    • Electronics and Telecommunications Trends
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    • v.36 no.3
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    • pp.133-144
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    • 2021
  • High-performance computing (HPC) is the underpinning for many of today's most exciting new research areas, to name a few, from big science to new ways of fighting the disease, to artificial intelligence (AI), to big data analytics, to quantum computing. This report captures the summary of a 9-day program of presentations, keynotes, and workshops at the SC20 conference, one of the most prominent events on sharing ideas and results in HPC technology R&D. Because of the exceptional situation caused by COVID-19, the conference was held entirely online from 11/9 to 11/19 2020, and interestingly caught more attention on using HPC to make a breakthrough in the area of vaccine and cure for COVID-19. The program brought together 103 papers from 21 countries, along with 163 presentations in 24 workshop sessions. The event has covered several key areas in HPC technology, including new memory hierarchy and interconnects for different accelerators, evaluation of parallel programming models, as well as simulation and modeling in traditional science applications. Notably, there was increasing interest in AI and Big Data analytics as well. With this summary of the recent HPC trend readers may find useful information to guide the R&D directions for challenging new technologies and applications in the area of HPC.

Analysis of Cis- Trans Photoisomerization Mechanism of Rhodopsin Based on the Tertiary Structure of Rhodopsin

  • Yamada, Atsushi;Yamato, Takahisa;Kakitani, Toshiaki;Yamamoto, Shigeyoshi
    • Journal of Photoscience
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    • v.9 no.2
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    • pp.51-54
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    • 2002
  • We propose a novel mechanism (Twist Sharing Mechanism) for the cis-trans photoisomerization of rhodopsin, based on the molecular dynamics (MD) simulation study. New things devised in our simulations are (1) the adoption of Mt. Fuji potentials in the excited state for twisting of the three bonds C9=C10, C11=C12 and C13=14 which are modeled using the detailed ab initio quantum chemical calculations and (2) to use the rhodopsin structure which was resolved recently by the X-ray crystallographic study. As a result, we found the followings: Due to the intramolecular steric hindrance between 20-methyl and 10-H in the retinal chromophore, the C12-C13 and C10-C11 bonds are considerably twisted counterclockwise in rhodopsin, allowing only counterclockwise rotation of the C11 =C12 in the excited state. The movement of 19-methyl in rhodopsin is blocked by the surrounding three amino acids, Thr 118, Met 207 and Tyr 268, prohibiting the rotation of C9=C10. As a result only all-trans form of the chromophore is obtainable as a photoproduct. At the 90$^{\circ}$ twisting of C11=C12 in the course of photoisomerization, twisting energies of the other bonds amount to about 20 kcal/mol. If the transition state for the thermal isomerization is assumed to be similar to this structure, the activation energy for the thermal isomerization around C11=C12'in rhodopsin is elevated by about 20 kcal/mol and the thermal isomerization rate is decelerated by 10$\^$-14/ times than that of the retinal chromophore in solution, protecting photosignal from the thermal noise.

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