JaLCDOI 10.18926/15402
FullText URL Mem_Fac_Eng_OU_30_2_27.pdf
Author Totsuji, Hiroo| Kishimoto, Tokunari| Totsuji, Chieko|
Abstract The behavior of the Yukawa system in external one-dimensional force fields is analyzed by the molecular dynamics simulation. The formation of layered structures at low temperatures is observed and the relation between the number of layers and characteristic parameters of the system is obtained. Since the Yukawa system serves as a model of clouds of dust particles in plasmas (dusty plasma) which play an important role in plasma processes of semiconductor engineering, the results may be useful to control the quality of semiconductor wafers in such processes. In simulations, periodic boundary conditions are imposed in two dimensions and deformations of periodic boundaries are allowed in order to reduce the effect of boundaries without giving too much constraint on the symmetry.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1996-03-29
Volume volume30
Issue issue2
Start Page 27
End Page 37
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307582
JaLCDOI 10.18926/14058
FullText URL Mem_Fac_Eng_OU_42_44.pdf
Author Ogawa Takafumi| Tsuruta, Kenji| Totsuji, Chieko| Totsuji, Hiroo| Hiroshi Iyetomi|
Abstract To analyze vibrational properties of Si crystal with a single charge-neutral vacancy, we perform large-scale simulations based on tight-binding molecular-dynamics method. Vibrational modes and frequencies are obtained by diagonalizing dynamical matrix within a harmonic approximation. Results indicate that there exist vibrational modes spatially localized around the vacancy and large frequency shifts associated with the localized modes contribute significantly to reduction of the vibrational free energy.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 2008-01
Volume volume42
Issue issue1
Start Page 44
End Page 47
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002308412
JaLCDOI 10.18926/14060
FullText URL Mem_Fac_Eng_OU_42_53.pdf
Author Chai Hong| Totsuji, Hiroo|
Abstract In order to transfer quantum information, the use of spin chains has been proposed and their transfer characteristics have been analyzed. As one of the latter, the maximum of the transfer probability over sufficiently long time period is often considered important and some examples with high maximum values have been given. In these examples, the coupling between neighboring spins are tuned so as to attain high efficiency. In this article, we discuss the effect of noise on the values of coupling constant. As a result, we propose a system where the efficiency is high and also the effect of noise is small.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 2008-01
Volume volume42
Issue issue1
Start Page 53
End Page 55
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002308635
JaLCDOI 10.18926/15450
FullText URL Mem_Fac_Eng_OU_22_35.pdf
Author Totsuji, Hiroo|
Abstract Several methods to derive thermodynamic sum rules for a system including charged particle are proposed and applied to charged mixtures as well as one-component systems. The validity of the statements is examined carefully with respect to the ordering in the powers of the wave number. As for the mixture of electrons and ions, it is shown how the aspect of the one-component plasma or the ionic mixture appears when electrons become strongly degenerate.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1988-03-31
Volume volume22
Start Page 35
End Page 44
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307661
JaLCDOI 10.18926/15490
FullText URL Mem_Fac_Eng_OU_25_1_51.pdf
Author Totsuji, Hiroo|
Abstract The superconductivity proximity effect in the dirty limit is revisited and equations and boundary conditions are obtained for the case of inhomogeneous media with continuously varying characteristic parameters.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1990-12-14
Volume volume25
Issue issue1
Start Page 51
End Page 57
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307188
JaLCDOI 10.18926/19636
FullText URL Mem_Fac_Eng_OU_32_23.pdf
Author Totsuji, Hiroo| Kishimoto, Tokunari| Totsuji, Chieko|
Abstract Parameters characterizing the structure ot confined Yukawa system are estimated for 'dusty plasmas', clouds of charged macroscopic particles formed near the boundary between plasma and the sheath and leviated by negatively biased electrode. When we have dust particles with different ratios of charge to mass, they form a two-dimensional Yukawa mixture or separate two-dimensional one-companent Yukawa systems, depending on the charge density in the sheath and number density of dust particles. In order to provide a basis for numerical simulations on Yukawa mixtures including Coulombic case, we summarize mathematical expressions necessary for molecular dynamics.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1998-04-20
Volume volume32
Issue issue1-2
Start Page 23
End Page 41
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002309150
JaLCDOI 10.18926/15166
FullText URL Mem_Fac_Eng_OU_31_1_19.pdf
Author Totsuji, Hiroo| Kishimoto, Tokunari| Totsuji, Chieko|
Abstract As a model of dusty plasmas in external fields, Yuka.wa system in a one-dimensional external field is analyzed by molecular dynamics simulations and theoretical approaches. It is shown that particles form clear thin layers (sheets) at low temperatures and the number of layers changes discretely with characteristic parameters of the system, accompanying the rearrangements of whole system from nearly equipartitioned layers to also nearly equipartitioned layers. The number, positions and populations of layers are obtained as functions of characteristic parameters. The shell (sheet) model which has been successful for confined one-component plasmas is extended to this system and results of numerical experiments are reproduced to a good accuracy. The effect of cohesive energy in each layer is of essential importance to reproduce discrete changes in the number of sheets.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1996-12-27
Volume volume31
Issue issue1
Start Page 19
End Page 33
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307616
JaLCDOI 10.18926/14120
FullText URL Mem_Fac_Eng_OU_40_1_36.pdf
Author Uchida, Atsushi| Totsuji, Chieko| Tsuruta, Kenji| Totsuji, Hiroo|
Abstract We present a Stochastic-Difference-Equation (SDE) approach to long time-scale molecular dynamics (MD) simulations, which are required for nanosecond-scale phenomena. In this method, the MD trajectory in a fixed time period is obtained as a stationary solution of an action functional based on an error accumulation of the equation of motion along the path, thus reducing the problem to a boundary-value problem, instead of an initial-value problem in the ordinary MD method. We apply the method to formation processes of Cu thin film via nanocluster deposition onto a substrate. The applicability of the SDE algorithm to the problem and the effects of the choice of SDE parameters on the optimization processes of configuration pathway are examined.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 2006-01
Volume volume40
Issue issue1
Start Page 36
End Page 39
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002308517
JaLCDOI 10.18926/14061
FullText URL Mem_Fac_Eng_OU_42_56.pdf
Author Miyake Takashi| Totsuji, Chieko| Nakanishi Kenta| Tsuruta, Kenji| Totsuji, Hiroo|
Abstract We analyze the ground state of the two-dimensional quantum system of electrons confined in a parabolic potential with the system size around 100. We map the system onto a classical system on the basis of the classical-map hypernetted-chain (CHNC) method which has been proven to work in the integral-equation-based analyses of uniform unbounded systems and then apply classical numerical simulations. We find that the confined system undergoes the transition to the spin polarized state with the decrease of the average density and the corresponding critical value is as low as rs ∼ 0.3 in terms of the usual rs parameter estimated for the average density. As the ground state for given value of the rs parameter, our data give the critical value for the transition around 20 which is consistent with the known possibility. The advantage of our method is a direct applicability to geometrically complex systems which are difficult to analyze by integral equations. The application to the structure like quantum dots reported here is the first example of such applications.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 2008-01
Volume volume42
Issue issue1
Start Page 56
End Page 59
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002308633
JaLCDOI 10.18926/15444
FullText URL Mem_Fac_Eng_OU_26_2_129.pdf
Author Totsuji, Hiroo|
Abstract The spectrum of Schottky noise in ion storage rings is analyzed as density fluctuations in effectively one-dimensional plasmas. Strong coupling effects in these plasmas are discussed in relation to experimental observations.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1992-03-28
Volume volume26
Issue issue2
Start Page 129
End Page 138
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307668
JaLCDOI 10.18926/15482
FullText URL Mem_Fac_Eng_OU_24_1_93.pdf
Author Totsuji, Hiroo| Hatatani, Teruki|
Abstract Propagation of charged carriers in semiconductor superlattices is analyzed on the basis of the effective mass approximation with appropriate boundary conditions at heterojunctions taken into account. Applying the finite element method, clarified are the effects of details of the potential profile, such as linear and smooth gradings and random fluctuations, on characteristics of superlattices which are expected to work as collector barriers and energy filters in electronic devices.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1989-11-29
Volume volume24
Issue issue1
Start Page 93
End Page 105
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307513
JaLCDOI 10.18926/15468
FullText URL Mem_Fac_Eng_OU_23_1_69.pdf
Author Totsuji, Hiroo| Takei Makoto|
Abstract The statistical properties of two-dimensional systems of charges in semiconductor superlattices are analyzed and the dispersion relation of the plasma oscillation is calculated. The possibility to excite these oscillations by applying the electric field parallel to the structure is discussed.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1988-11-22
Volume volume23
Issue issue1
Start Page 69
End Page 82
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307988
JaLCDOI 10.18926/15449
FullText URL Mem_Fac_Eng_OU_22_15.pdf
Author Furutani, Yoichiro| Totsuji, Hiroo| Komaki Kunitaka| Tanabe Masahiro|
Abstract An effective potential of an isolated partially ionized high-Z ion, calculated within the framework of the statistical models of atoms, is injected into the one-electron Schrödinger equation, in view of evaluating the electron density and comparing it with the results of statistical models. Starting from this initial value, a self-consistent electron density is obtained on the basis of the density functional theory, where quantum natures of electrons are fully taken into account.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1988-03-31
Volume volume22
Start Page 15
End Page 34
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307361
JaLCDOI 10.18926/15422
FullText URL Mem_Fac_Eng_OU_29_2_57.pdf
Author Totsuji, Hiroo|
Abstract As plasmas with extremely reduced dimensionality, properties of one-dimensional classical plasmas are analyzed in the domain of strong coupling and static and dynamic structure factors and the plasmon dispersion relation are obtained. These plasmas may be realized in Penning traps with sufficiently strong confinement and also in semiconductor quantum wires under appropriate conditions.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1995-03-27
Volume volume29
Issue issue2
Start Page 57
End Page 65
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307838
JaLCDOI 10.18926/19674
FullText URL Mem_Fac_Eng_OU_33_2_71.pdf
Author Tsuruta, Kenji| Totsuji, Hiroo| Totsuji, Chieko|
Abstract A parallel tight-binding molecular dynamics with an order-N [O(N))] algorithm is implemented to perform large-scale simulation of nanostructured materials. The algorithm is based on the Fermi-operator expansion of an electronic energy and force, and we present its basic formalisms. Accuracy necessary for molecular-dynamics simulations can be obtained by a proper truncation in the expansion. Parallel efficiency on a parallel PC cluster shows nearly ideal scaling behavior with respect to the number of processors. Applicability of the method to a silicon-carbide system is examined.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1999-04-27
Volume volume33
Issue issue2
Start Page 71
End Page 77
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002309027
JaLCDOI 10.18926/14059
FullText URL Mem_Fac_Eng_OU_42_48.pdf
Author Totsuji, Chieko| Miyake Takashi| Nakanishi Kenta| Tsuruta, Kenji| Totsuji, Hiroo|
Abstract Based on the mapping introduced by the classical-map hypernetted-chain (CHNC) method, classical numerical simulations, Monte Carlo and molecular dynamics, have been applied to the twodimensional electron fluid and the results are compared with those of quantum Monte Carlo simulations hitherto reported. It is shown that polarization properties of the ground state obtained by the diffusion Monte Carlo method are reproduced within the accuracy of quantum simulations by both of two mapping functions for the quantum temperature which have been proposed within the CHNC method. These results may serve as the basis of numerical simulations based on the CHNC method which are applicable to finite non-periodic systems like quantum dots and systems at finite temperatures.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 2008-01
Volume volume42
Issue issue1
Start Page 48
End Page 52
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002308425
JaLCDOI 10.18926/15460
FullText URL Mem_Fac_Eng_OU_28_2_45.pdf
Author Totsuji, Hiroo| Hashimoto, Seiji| Nara, Shigetoshi|
Abstract Difficulties in simulating systems composed of classical and quantum particles lie in the treatment of the many-body interactions between quantum particles and the geometrical variety of configurations of classical particles. In order to overcome these difficulties, we have developed some numerical methods and applied them to simple cases. As for stationary states, the finite element method provides us with sufficient geometrical freedom. Combined with the Kohn-Sham equation based on the density functional theory, this method virtually satisfies our requirement. In order to investigate time-dependent phenomena, we apply the time-dependent Kohn-Sham equation. Adopting the finite difference method, we are able to follow the development of quantum many-body system. As an example, we estimate the effects of the potential height, the electric field, and many-body interactions in some transition processes in quantum wells coupled by a tunneling barrier. This example is important in itself in relation to semiconductor superlattices and also serves as a benchmark for quantum simulations, variety of geometry corresponding to that of classical particles.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1994-03-15
Volume volume28
Issue issue2
Start Page 45
End Page 52
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307158
JaLCDOI 10.18926/15358
FullText URL Mem_Fac_Eng_OU_35_63.pdf
Author Shinomiya Shigeru| Totsuji, Chieko| Tsuruta, Kenji| Totsuji, Hiroo|
Abstract We present a theoretical study of Si(1-x)Ge(x) alloys based on tight-binding molecular dynamics (TBMD) calculations. First, we introduce a new set of nonorthogonal tight-binding parameters for silicon and germanium based on the previous work by Menon and Subbaswamy [Phys. Rev. B 55, 9231 (1997); J. Phys: Condens. Matter 10, 10991 (1998)]. We then apply the method to structural analyses of Si(1-x)Ge(x) alloys. The equilibrium volume and atomic structure for a given x are obtained by the TBMD method. We also calculate the bulk modulus B, elastic constants C(11), C(12) and C(44) as a function of x. The results show that the moduli vary monotonically, but nonlinearly, between the values of Si crystal and Ge crystal. The validity of the results is also discussed.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 2001-03-27
Volume volume35
Issue issue1-2
Start Page 63
End Page 75
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307673
JaLCDOI 10.18926/19673
FullText URL Mem_Fac_Eng_OU_33_2_61.pdf
Author Totsuji, Hiroo| Tsuruta, Kenji| Totsuji, Chieko|
Abstract The behavior of multicomponent plasmas in the Penning-Malmberg traps is discussed with the parameters corresponding to experiments with antiprotons and cryogenic electrons. The relaxation times for the energy transfer antiprotons to electrons and between parallel and perpendicular components of electrons are estimated. It is shown that, depending on the values of parameters, both the former and the latter can be the bottleneck in the cooling process.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1999-04-27
Volume volume33
Issue issue2
Start Page 61
End Page 69
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002309106
JaLCDOI 10.18926/15418
FullText URL Mem_Fac_Eng_OU_26_1_51.pdf
Author Totsuji, Hiroo| Shirokoshi Hideki| Nara, Shigetoshi|
Abstract Variable shape molecular dynamics is formulated for the one-component plasma and the structural transition from the fcc lattice to the bcc lattice has been observed. It is emphasized that the condition of constant volume should be imposed when deformations of periodic boundary conditions are taken into account.
Publication Title Memoirs of the Faculty of Engineering, Okayama University
Published Date 1991-11-30
Volume volume26
Issue issue1
Start Page 51
End Page 59
ISSN 0475-0071
language 英語
File Version publisher
NAID 120002307555