• Title/Summary/Keyword: atomic/continuum modeling

Search Result 7, Processing Time 0.022 seconds

Response of a rocksalt crystal to electromagnetic wave modeled by a multiscale field theory

  • Lei, Yajie;Lee, James D.;Zeng, Xiaowei
    • Interaction and multiscale mechanics
    • /
    • v.1 no.4
    • /
    • pp.467-476
    • /
    • 2008
  • In this work, a nano-size rocksalt crystal (magnesium oxide) is considered as a continuous collection of unit cells, while each unit cell consists of discrete atoms; and modeled by a multiscale concurrent atomic/continuum field theory. The response of the crystal to an electromagnetic (EM) wave is studied. Finite element analysis is performed by solving the governing equations of the multiscale theory. Due to the applied EM field, the inhomogeneous motions of discrete atoms in the polarizable crystal give rise to the change of microstructure and the polarization wave. The relation between the natural frequency of this system and the driving frequency of the applied EM field is found and discussed.

Review on Methods of Hydro-Mechanical Coupled Modeling for Long-term Evolution of the Natural Barriers

  • Chae-Soon Choi;Yong-Ki Lee;Sehyeok Park;Kyung-Woo Park
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
    • /
    • v.20 no.4
    • /
    • pp.429-453
    • /
    • 2022
  • Numerical modeling and scenario composition are needed to characterize the geological environment of the disposal site and analyze the long-term evolution of natural barriers. In this study, processes and features of the hydro-mechanical behavior of natural barriers were categorized and represented using the interrelation matrix proposed by SKB and Posiva. A hydro-mechanical coupled model was evaluated for analyzing stress field changes and fracture zone re-activation. The processes corresponding to long-term evolution and the hydro-mechanical mechanisms that may accompany critical processes were identified. Consequently, practical numerical methods could be considered for these geological engineering issues. A case study using a numerical method for the stability analysis of an underground disposal system was performed. Critical stress distribution regime problems were analyzed numerically by considering the strata's movement. Another case focused on the equivalent continuum domain composition under the upscaling process in fractured rocks. Numerical methods and case studies were reviewed, confirming that an appropriate and optimized modeling technique is essential for studying the stress state and geological history of the Korean Peninsula. Considering the environments of potential disposal sites in Korea, selecting the optimal application method that effectively simulates fractured rocks should be prioritized.

Hydraulic Analysis of a Discontinuous Rock Mass Using Smeared Fracture Model and DFN Model (DFN 모델과 스미어드 균열 모델을 이용한 불연속 암반의 3차원 수리해석)

  • Park, Jungchan;Kim, Jin-Seop;Lee, Changsoo;Kwon, Sangki
    • Tunnel and Underground Space
    • /
    • v.29 no.5
    • /
    • pp.318-331
    • /
    • 2019
  • A three-dimensional(3D) equivalent continuum modeling was performed to analyze hydraulic behavior of rock mass considering discontinuities by using DFN model and smeared fracture model. DFN model was generated by FLAC3D and smeared fracture model was applied by using FISH functions, which is built-in functions in FLAC3D, for equivalent continuum model of fractured rock mass. Comparative analysis with 3DEC, which is for discontinuum analysis, was conducted to verify reliability of equivalent continuum analysis by using FLAC3D. Similar results of hydraulic analysis under the same conditions could be achieved. Equivalent continuum analysis of fractured rock mass by using DFN model was implemented to compare with existing analytical methods for inflow into the tunnel.

STARS: A 3D GRID-BASED MONTE CARLO CODE FOR RADIATIVE TRANSFER THROUGH RAMAN AND RAYLEIGH SCATTERING WITH ATOMIC HYDROGEN

  • Chang, Seok-Jun;Lee, Hee-Won
    • Journal of The Korean Astronomical Society
    • /
    • v.53 no.6
    • /
    • pp.169-179
    • /
    • 2020
  • Emission features formed through Raman scattering with atomic hydrogen provide unique and crucial information to probe the distribution and kinematics of a thick neutral region illuminated by a strong far-ultraviolet radiation source. We introduce a new 3-dimensional Monte-Carlo code in order to describe the radiative transfer of line photons that are subject to Raman and Rayleigh scattering with atomic hydrogen. In our Sejong Radiative Transfer through Raman and Rayleigh Scattering (STaRS) code, the position, direction, wavelength, and polarization of each photon is traced until escape. The thick neutral scattering region is divided into multiple cells with each cell being characterized by its velocity and density, which ensures flexibility of the code in analyzing Raman-scattered features formed in a neutral region with complicated kinematics and density distribution. To test the code, we revisit the formation of Balmer wings through Raman scattering of the far-UV continuum near Lyβ and Lyγ in a static neutral region. An additional check is made to investigate Raman scattering of O vi in an expanding neutral medium. We find a good agreement of our results with previous works, demonstrating the capability of dealing with radiative transfer modeling that can be applied to spectropolarimetric imaging observations of various objects including symbiotic stars, young planetary nebulae, and active galactic nuclei.

A Study on the Groundwater Flow in Fractured-Porous Media by Flow Resistance Theory (단열-다공암반에서 유동저항 이론을 이용한 지하수 유동 평가에 관한 연구)

  • Han Ji-Woong;Hwang Yong-Soo;Kang Chul-Hyung
    • Proceedings of the Korean Radioactive Waste Society Conference
    • /
    • 2005.06a
    • /
    • pp.231-238
    • /
    • 2005
  • On the basis of flow resistance theory the conceptual model and related mathematical descriptions is proposed for resistance modeling of groundwater flow in CPM(continuum Porous medium), DFN(discrete fracture network) and fractured-porous medium. The proposed model is developed on the basis of finite volume method assuming steady-state, constant density groundwater flow. The basic approach of the method is to evaluate inter-block flow resistance values for a staggered grid arrangement, i.e. fluxes are stored at cell walls and scalars at cell centers. The balance of forces, i.e. the Darcy law, is utilized for each control volume centered around the point where the velocity component is stored. The transmissivity (or permeability) at the interface is assumed to be the harmonic average of neighboring blocks. Flow resistance theory was utilized to relate the fluxes between the grid blocks with residual pressures. The flow within porous medium is described by three dimensional equations and that within an individual fracture is described by a two dimensional equivalent of the flow equations for a porous medium. Newly proposed models would contribute to develop flow simulation techniques with various matrix characteristics.

  • PDF

Hydro-Mechanical Modeling of Fracture Opening and Slip using Grain-Based Distinct Element Model: DECOVALEX-2023 Task G (Benchmark Simulation) (입자기반 개별요소모델을 이용한 암석 균열의 수리역학 거동해석: 국제공동연구 DECOVALEX-2023 Task G (Benchmark Simulation))

  • park, Jung-Wook;Park, Chan-Hee;Lee, Changsoo
    • Tunnel and Underground Space
    • /
    • v.31 no.4
    • /
    • pp.270-288
    • /
    • 2021
  • We proposed a numerical method to simulate the hydro-mechanical behavior of rock fracture using a grain-based distinct element model (GBDEM) in the paper. As a part of DECOVALEX-2023 Task G, we verified the method via benchmarks with analytical solutions. DECOVALEX-2023 Task G aims to develop a numerical method to estimate the coupled thermo-hydro-mechanical processes within the crystalline rock fracture network. We represented the rock sample as a group of tetrahedral grains and calculated the interaction of the grains and their interfaces using 3DEC. The micro-parameters of the grains and interfaces were determined by a new methodology based on an equivalent continuum approach. In benchmark modeling, a single fracture embedded in the rock was examined for the effects of fracture inclination and roughness, the boundary stress condition and the applied pressure. The simulation results showed that the developed numerical model reasonably reproduced the fracture slip induced by boundary stress condition, the fracture opening induced by fluid injection, the stress distribution variation with fracture inclination, and the fracture roughness effect. In addition, the fracture displacements associated with the opening and slip showed good agreement with the analytical solutions. We expect the numerical model to be enhanced by continuing collaboration and interaction with other research teams of DECOVALEX-2023 Task G and validated in further study experiments.

Voronoi Grain-Based Distinct Element Modeling of Thermally Induced Fracture Slip: DECOVALEX-2023 Task G (Benchmark Simulation) (Voronoi 입자기반 개별요소모델을 이용한 암석 균열의 열에 의한 미끄러짐 해석: 국제공동연구 DECOVALEX-2023 Task G(Benchmark simulation))

  • park, Jung-Wook;Park, Chan-Hee;Lee, Changsoo
    • Tunnel and Underground Space
    • /
    • v.31 no.6
    • /
    • pp.593-609
    • /
    • 2021
  • We proposed a numerical method for the thermo-mechanical behavior of rock fracture using a grain-based distinct element model (GBDEM) and simulated thermally induced fracture slip. The present study is the benchmark simulation performed as part of DECOVALEX-2023 Task G, which aims to develop a numerical method to estimate the coupled thermo-hydro-mechanical processes within the crystalline rock fracture network. We represented the rock sample as an assembly of Voronoi grains and calculated the interaction of the grains (blocks) and their interfaces (contacts) using a distinct element code, 3DEC. Based on an equivalent continuum approach, the micro-parameters of grains and contacts were determined to reproduce rock as an elastic material. Then, the behavior of the fracture embedded in the rock was characterized by the contacts with Coulomb shear strength and tensile strength. In the benchmark simulation, we quantitatively examined the effects of the boundary stress and thermal stress due to heat conduction on fracture behavior, focusing on the mechanism of thermally induced fracture slip. The simulation results showed that the developed numerical model reasonably reproduced the thermal expansion and thermal stress increment, the fracture stress and displacement and the effect of boundary condition. We expect the numerical model to be enhanced by continuing collaboration and interaction with other research teams of DECOVALEX-2023 Task G and validated in further study experiments.