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    • 6. 发明授权
    • Apparatus for generating a constraint condition in a molecular dynamics
simulation
    • 用于在分子动力学模拟中产生约束条件的装置
    • US5448498A
    • 1995-09-05
    • US982715
    • 1992-11-27
    • Takefumi NamikiIkuo FukudaMunetaka TakeuchiMasuhiro MikamiKota Sakai
    • Takefumi NamikiIkuo FukudaMunetaka TakeuchiMasuhiro MikamiKota Sakai
    • G06F19/00C07K1/00G06F17/50
    • C07K1/00G06F19/701
    • A constraint condition generating apparatus generates a constraint condition which should be output to a molecular dynamics simulator for simulating a behavior of a molecule based on a molecular dynamics method under the constraint condition for freezing a part of the degree of freedom within the molecule. This apparatus comprises bond constraint condition setting and releasing unit for setting a bond constraint list comprising the number of two atoms whose bond are to be constrained and a bonding distance between two atoms, and for releasing the constraint of the bond of two atoms, angle constraint condition setting and releasing means for setting an angle constraint condition including a bonding distance between two atoms which are not common and for releasing a part of angle constraint condition in accordance with a designation by a user; and a torsion constraint condition setting and releasing unit for setting a torsion constraint condition including a bonding distance between two atoms which are not common, and for releasing a part of a constraint condition in accordance with a designation by a user.
    • 约束条件生成装置产生约束条件,其约束条件应当被输出到分子动力学模拟器,用于在用于冻结分子内部分自由度的约束条件下基于分子动力学方法模拟分子的行为。 该装置包括粘合约束条件设置和释放单元,用于设置包含键合要约束的两个原子的数量和两个原子之间的键合距离的键约束列表,并且用于释放两个原子的键的约束,角度约束 条件设置和释放装置,用于设置包括不常见的两个原子之间的键合距离的角度约束条件,并且用于根据用户的指定来释放角度约束条件的一部分; 以及扭转约束条件设定和释放单元,用于设定包括不常见的两个原子之间的键合距离的扭转约束条件,并且用于根据用户的指定来释放约束条件的一部分。
    • 7. 发明申请
    • POWDER COMPACTING DEVICE AND METHOD FOR MANUFACTURING SOLID POWDER COMPACT
    • 粉末压制装置及制造固体粉末的方法
    • US20120139164A1
    • 2012-06-07
    • US13060913
    • 2009-08-28
    • Takao IshikawaIkuo Fukuda
    • Takao IshikawaIkuo Fukuda
    • B28B1/08B30B11/00
    • B30B11/022B30B11/10B30B15/022B30B15/065
    • A compacting device of the invention includes: a die (11) having a through hole (10) extending in a vertical direction; and a container support (12) inserted into the through hole (10) vertically from below, disposed to be vertically movable in the through hole (10), and supporting a container (3) from below while being in contact with a portion of a lower surface of the container (3). The container support (12) and the through hole (10) define a housing space (S) for the container (3). The compacting device further includes: a lower punch (20a) for applying ultrasonic vibration to powder contained in the container (3); and an upper punch (20b). The container support (12) has a movement path (15) for the lower punch (20a), formed along the entire vertical length of the container support (12). The lower punch (20a) is provided in such a manner that it can move through the movement path (15) and come into contact with portions of the lower surface of the container (3) other than the above-described portion thereof.
    • 本发明的压实装置包括:具有沿垂直方向延伸的通孔(10)的模具(11); 以及从下方垂直插入到所述通孔(10)中的容器支撑件(12),所述容器支撑件(12)设置成在所述通孔(10)中可垂直移动,并且在与所述通孔(10)的一部分接触的同时从下方支撑容器 容器(3)的下表面。 容器支撑件(12)和通孔(10)限定用于容器(3)的容纳空间(S)。 压实装置还包括:用于对包含在容器(3)中的粉末施加超声振动的下冲头(20a); 和上冲头(20b)。 容器支撑件(12)具有沿着容器支撑件(12)的整个垂直长度形成的用于下冲头(20a)的移动路径(15)。 下冲头(20a)设置成能够移动通过移动路径(15)并与容器(3)的除了上述部分之外的下表面的部分接触。
    • 9. 发明申请
    • Deterministic sampling simulation device for generating a plurality of distribution simultaneously
    • 用于同时产生多个分布的确定性抽样模拟装置
    • US20060184340A1
    • 2006-08-17
    • US11225018
    • 2005-09-14
    • Ikuo FukudaHaruki Nakamura
    • Ikuo FukudaHaruki Nakamura
    • G06F17/10
    • G16C20/30G16C10/00
    • The trajectory of solutions is calculated by numerically integrating deterministic differential equations, and when sampling along this trajectory, it is set in such a way that a distribution obtained by combining a plurality of Tsallis distributions in which the solution of differential equations covers an energy range wider than that of a Boltzmann-Gibbs (BG) distribution can be reproduced. Several values are set to the parameter of the Tsallis distribution, and a distribution is obtained by combining Tsallis distributions each corresponding to a different parameter value. Using sampling points sampled from the trajectory obtained from the distribution obtained by combining a plurality of Tsallis distributions, the physical and chemical characteristics of a physical system according to the BG distribution can be calculated by a method of statistical mechanics.
    • 通过数字积分确定性微分方程来计算解的轨迹,并且当沿着该轨迹进行采样时,其被设置为使得通过组合多个Tsallis分布获得的分布,其中微分方程的解包括更宽的能量范围 比布尔兹曼吉布斯(BG)分布的分布可以被再现。 将几个值设置为Tsallis分布的参数,并且通过组合每个对应于不同参数值的Tsallis分布获得分布。 使用从通过组合多个Tsallis分布获得的分布获得的轨迹采样的采样点,可以通过统计力学的方法来计算根据BG分布的物理系统的物理和化学特性。
    • 10. 发明授权
    • Graphic display apparatus
    • 图形显示装置
    • US5664083A
    • 1997-09-02
    • US524183
    • 1995-09-06
    • Munetaka TakeuchiTakefumi NamikiKouzo NaganoIkuo FukudaHiromi Hayashi
    • Munetaka TakeuchiTakefumi NamikiKouzo NaganoIkuo FukudaHiromi Hayashi
    • G06F3/041G06F3/0488G06T3/60G06F15/00
    • G06T3/60
    • A graphic display apparatus for rotating a three-dimensional figure about the three axes of the Cartesian coordinate system has a graphic information storing unit for storing graphic information of a three-dimensional object to be displayed, a rotative action indicating unit for indicating rotative actions to rotate the three-dimensional object being displayed about the three axes, a display coordinate calculating unit for calculating coordinates of the three-dimensional object after it is rotated, a rotational angle calculating unit for calculating rotational angles of the three-dimensional object after it is rotated, and a display unit for displaying the three-dimensional object after it is rotated and the calculated rotational angles. The rotational angle calculating unit calculates the rotational angles of the three-dimensional object rotated by the rotative action, as rotational angles from the initial state of the three-dimensional object in a predetermined sequence of three rotative actions. This arrangement allows the operator to subsequently reconstruct the desired rotated state of the displayed three-dimensional figure without concern over the contents and sequence of rotative actions that have already been made, simply by entering the calculated rotational angles successively in a given sequence from the initial state.
    • 用于旋转关于笛卡尔坐标系的三个轴的三维图形的图形显示装置具有用于存储要显示的三维物体的图形信息的图形信息存储单元,用于指示旋转动作的旋转动作指示单元 旋转围绕三轴显示的三维物体,用于计算三维物体旋转后的坐标的显示坐标计算单元,用于计算三维物体之后的旋转角度的旋转角度计算单元 以及显示单元,用于在旋转之后显示三维物体和计算出的旋转角度。 旋转角度计算单元以三个旋转动作的预定顺序计算由旋转动作旋转的三维物体的旋转角度作为从三维物体的初始状态的旋转角度。 这种布置允许操作者随后重建所显示的三维图形的期望的旋转状态,而不必考虑已经做出的旋转动作的内容和顺序,简单地通过从初始化的给定顺序依次输入计算出的旋转角度 州。