• 제목/요약/키워드: Quantum-mechanical

검색결과 281건 처리시간 0.03초

Multiscale simulations for estimating mechanical properties of ion irradiated 308 based on microstructural features

  • Dong-Hyeon Kwak ;Jae Min Sim;Yoon-Suk Chang ;Byeong Seo Kong ;Changheui Jang
    • Nuclear Engineering and Technology
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    • 제55권8호
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    • pp.2823-2834
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    • 2023
  • Austenitic stainless steel welds (ASSWs) of nuclear components undergo aging-related degradations caused by high temperature and neutron radiation. Since irradiation leads to the change of material characteristics, relevant quantification is important for long-term operation, but limitations exist. Although ion irradiation is utilized to emulate neutron irradiation, its penetration depth is too shallow to measure bulk properties. In this study, a systematic approach was suggested to estimate mechanical properties of ion irradiated 308 ASSW. First of all, weld specimens were irradiated by 2 MeV proton to 1 and 10 dpa. Microstructure evolutions due to irradiation in δ-ferrite and austenite phases were characterized and micropillar compression tests were performed. In succession, dislocation density based stress-strain (S-S) relationships and quantification models of irradiation defects were adopted to define phases in finite element analyses. Resultant microscopic S-S curves were compared to verify material parameters. Finally, macroscopic behaviors were calculated by multiscale simulations using real microstructure based representative volume element (RVE). Validity of the approach was verified for the unirradiated specimens such that the estimated S-S curves and 0.2% offset yield strengths (YSs) which was 363.14 MPa were in 10% agreement with test. For irradiated specimens, the estimated YS were 917.41 MPa in 9% agreement.

Thermal conductivity of individual single-crystalline Bi nanowires grown by stress-induced recrystallization

  • Roh, Jong-Wook;Chen, Ren-Kun;Lee, Jun-Min;Ham, Jin-Hee;Lee, Seung-Hyn;Hochbaum, Allon;Hippalgaonkar, Kedar;Yang, Pei-Dong;Majumdar, Arun;Kim, Woo-Chul;Lee, Woo-Young
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2009년도 춘계학술대회 논문집
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    • pp.23-23
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    • 2009
  • It has been challenging to increase the thermoelectric figure of merit ($ZT=S^2{\sigma}T/\kappa$) of materials, which determine the efficiency of thermoelectric devices, because the three parameters Seebeck coefficient (S), electrical conductivity ($\sigma$), and thermal conductivity ($\kappa$) of bulk materials are inter-dependent. With the development of nanotechnology, ZT values of nanostructured materials are predicted to be enhanced by classical size effects and quantum confinement effects. In particular, Bi nanowires were suggested as one of ideal thermoelectric materials due to the expected quantum confinement effects for the simultaneous increase in Sand. In this work, we have investigated the thermal conductivity of individual single crystalline Bi nanowires with d = 98 nm and d = 327 nm in the temperature range 40 - 300 K using MEMS devices. The for the Bi nanowire with d = 98 nm was observed to be ~ 1.6 W/m-K at 300 K, which is much lower than that of Bi bulk (8 W/m-K at 300 K). This indicates that the thermal conductivity of the Bi suppressed due to enhanced surface boundary scattering in one-dimensional structures. Our results suggest that Bi nanowires grown by stress-induced method can be used for high-efficiency thermoelectric devices.

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STOCHASTIC SCALING EFFECT AND STATISTICS OF COSMOLOGICAL DENSITY FLUCTUATIONS

  • Yi, In-Su;Vsihniac, Ethan T.
    • 천문학논총
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    • 제7권1호
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    • pp.51-61
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    • 1992
  • The nonlinear stochastic behavior of chaotic inflation is characterized by the 'scaling' effect. Using a simple criterion for the appearance of scaling behavior in the ${\lambda}{\phi}^4$ inflation model, we show explicitly that in this limit the onset of the scaling regime does not require any special initial conditions and that it is independent of the self-coupling constant ${\lambda}$. Non-Gaussian statistics in adiabatic fluctuations are important only for super-horizon scales and the scaling regime does not lead to any significant statistical properties on currently observable scales. However, the scaling effect gives some cosmological consequences very different from what we expect in the naive diffusion approximation for quantum fluctuations. The classical (deterministic) treatment of the inflation field (essentially a quantum mechanical object.) becomes valid towards the end of inflation.

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복수 경로를 지닌 자외선 형광측정기를 이용한 오일 산화도 측정장치 (Apparatus for Monitoring Oil Oxidation Using a Plurality of UV Fluorescence Light-reflecting Members)

  • 공호성;한흥구
    • Tribology and Lubricants
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    • 제26권3호
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    • pp.167-174
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    • 2010
  • An apparatus for measuring oil oxidation was developed, which is capable of being mounted to mechanical devices for detecting power of fluorescent light reflected from oil in real time as an indication of the oil oxidation. This device has an advantage over conventional fluorescence spectrometers where the thin film is required for the measurement. Clean and used oil samples (mineral and synthetic oils) were tested by the developed apparatus that calculates a fluorescence quantum yield and a light absorption coefficient of the oil based upon the signals from the two light-receiving members and evaluates the degree of oil oxidation of test oils based on the fluorescence quantum yield. Results generally show that the developed device is able to effectively evaluate oil oxidation characteristics on-site in the field.

나노/마이크로 구조물의 기계적 특성 평가 기술

  • 이학주;최병익;오충석;김재현
    • 한국정밀공학회:학술대회논문집
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    • 한국정밀공학회 2004년도 춘계학술대회 논문요약집
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    • pp.14-14
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    • 2004
  • 전자 공학 분야의 발전으로 인해 작은 구조물을 제작할 수 있는 리소그라피 (lithography) 기술이 급속하게 발전하고 있으며, 보다 작은 구조물에 대한 수요도 빠르게 증가하고 있다. 지난 수십 년간 반도체 분야에 적용 되어온 Moore's law에 의하면, 수년 내에 수십 나노 미터 크기의 특성 길이 (Critical Dimension)를 지닌 구조물을 이용하여 소자가 제작될 것 이 예견되고 있다. 반도체 공정을 응용하여 작은 구조물을 제작하는 기술은, 전자 공학 분야뿐만 아니라 광전자공학(optoelectronics) 분야, 양자 계산(quantum computing) 분야, 양자 계산(quantum computing) 분야, MEMS/NEMS, 바이오 센서(biosensor)분야 등에 다양한 응용성을 가질 것으로 예상된다.(중략)

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Graphene Based Nano-electronic and Nano-electromechanical Devices

  • Lee, Sang-Wook
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.13-13
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    • 2011
  • Graphene based nano-electronic and nano-electromechanical devices will be introduced in this presentation. The first part of the presentation will be covered by our recent results on the fabrication and physical properties of artificially twisted bilayer graphene. Thanks to the recently developed contact transfer printing method, a single layer graphene sheet is stacked on various substrates/nano-structures in a controlled manner for fabricating e.g. a suspended graphene device, and single-bilayer hybrid junction. The Raman and electrical transport results of the artificially twisted bilayer indicates the decoupling of the two graphene sheets. The graphene based electromechanical devices will be presented in the second part of the presentation. Carbon nanotube based nanorelay and A new concept of non-volatile memory based on the carbon nanotube field effect transistor together with microelectromechanical switch will be briefly introduced at first. Recent progress on the graphene based nano structures of our group will be presented. The array of graphene resonators was fabricated and their mechanical resonance properties are discussed. A novel device structures using carbon nanotube field effect transistor combined with suspended graphene gate will be introduced in the end of this presentation.

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QM/MM-MD Simulation을 통한 수용액 상에서의 Formamide Hydrolysis Mechanism 연구

  • 백용수;최철호
    • EDISON SW 활용 경진대회 논문집
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    • 제3회(2014년)
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    • pp.141-155
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    • 2014
  • Peptide bond hydrolysis는 세포 내외의 생화학반응에 있어서 핵심이다. 하지만 amide Hydrolysis Mechanism은 아직 명확하게 규명되지 않았다. pH가 중성인 물에서의 비 촉매 가수분해가 발생하는 몇몇 실험적 증거가 있지만, 해당 반응 매커니즘은 4 가지(non-assisted concerted, non-assisted step-wise, assisted concerted, assisted step-wise)로 여전히 논란이 있다. 이번 연구에서는, Formamide의 가능한 Hydrolysis Mechanism을 자세히 연구해보고자 한다. 먼저, Ab-initio 계산을 통해 4가지 반응 메커니즘의 다시 한번 확인하고, quantum chemical calculations과 quantum mechanical molecular dynamic이 결합된 (QMMD) simulation을 통하여 water solvent에서의 반응 메커니즘의 에너지관계를 규명하였다. 결론적으로 아직 계산이 끝나지 않은 supported concerted mechanism을 제외한 모든 계산에서 non-supported, supported 두 system 모두에서 step-wise가 일어나기 쉬웠고, non-supported 보다 supported mechanism이 선호됨을 보였다. Intermediate인 amino-gem-diol의 수용액 상에서 안정화 또한 나타났다. 이는 Ab-initio 계산만 통해서는 정확하게 산출할 수 없는 엔트로피의 영향을 잘 보여준다.

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구동된 결합 진동자 계에서의 감쇠에 의한 압축 (Squeezing by damping in a driven coupled-oscillator system)

  • Hyunchu Nha;Lee, Jai-Hyung;Kyungwon An
    • 한국광학회:학술대회논문집
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    • 한국광학회 2001년도 제12회 정기총회 및 01년도 동계학술발표회
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    • pp.248-249
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    • 2001
  • A quantum-mechanical harmonic oscillator undergoes continuous amplitude fluctuation even in its ground state. This fluctuation, also known as the vacuum fluctuation, arises from the nonvanishing commutation .elation, [${\alpha}$, ${\alpha}$$\^$+/] = 1, where ${\alpha}$(${\alpha}$$\^$+/) is the annihilation (creation) operate. of the harmonic oscillator, One can make, however, the fluctuation of one quadrature amplitude decrease below the vacuum-state (or the coherent state) level at the cost of that of the other quadrature. (omitted)

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A split kinetic energy solution scheme applied to various delta potentials in quantum mechanical systems

  • Chen, Yu-Hsin;Chao, Sheng D.
    • Coupled systems mechanics
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    • 제6권1호
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    • pp.17-28
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    • 2017
  • In this work, we extend the previously developed split kinetic energy (dubbed KEP) method by Mineo and Chao (2012) by modifying the mass parameter to include the negative mass. We first show how to separate the total system into the subsystems with 3 attractive delta potentials by using the KEP method. For repulsive delta potentials, we introduce "negative" mass terms. Two cases are demonstrated using the "negative" mass terms for repulsive delta potential problems in quantum mechanics. Our work shows that the KEP solution scheme can be used to obtain not only the exact energies but also the exact wavefunctions very precisely.

Numerical Calculation of Vibrational Transition Probability for the Forced Morse Oscillator by Use of the Anharmonic Boson Operators

  • 이창순;김유항
    • Bulletin of the Korean Chemical Society
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    • 제22권7호
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    • pp.721-726
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    • 2001
  • The vibrational transition probability expressions for the forced Morse oscillator have been derived using the commutation relations of the anharmonic Boson operators. The formulation is based on the collinear collision model with the exponential repulsive potential in the framework of semiclassical collision dynamics. The sample calculation results for H2+ He collision system, where the anharmonicity is large, are in excellent agreement with those from an exact, numerical quantum mechanical study by Clark and Dickinson, using the reactance matrix. Our results, however, are markedly different from those of Ree, Kim and Shin's in which they approximate the commutation operator I。 as unity, the harmonic oscillator limit. We have concluded that the quantum number dependence in I。 must be retained to get accurate vibrational transition probabilities for the Morse oscillator.