There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

Streamline upwind/Petrov-Galerkin formulations for convection dominated flows with particular emphasis on the incompressible Navier-Stokes equations

From the Publisher:
This self-contained introduction to practical robot kinematics and dynamics includes a comprehensive treatment of robot control. Provides background material on terminology and linear transformations, followed by coverage of kinematics and inverse kinematics, dynamics, manipulator control, robust control, force control, use of feedback in nonlinear systems, and adaptive control. Each topic is supported by examples of specific applications. Derivations and proofs are included in many cases. Includes many worked examples, examples illustrating all aspects of the theory, and problems.

Robot dynamics and control

A higher-order shear deformation theory of laminated composite plates is developed. The theory contains the same dependent unknowns as in the first-order shear deformation theory of Whitney and Pagano (1970), but accounts for parabolic distribution of the transverse shear strains through the thickness of the plate. Exact closed-form solutions of symmetric cross-ply laminates are obtained and the results are compared with three-dimensional elasticity solutions and first-order shear deformation theory solutions. The present theory predicts the deflections and stresses more accurately when compared to the first-order theory.

A Simple Higher-Order Theory for Laminated Composite Plates

In this article, we develop a novel stable time integration scheme for the transient analysis of structural dynamics problems. A second-order (in time) differential operator equation (e.g. obtained after finite element discretization in space) is written as a pair of first-order equations in terms of displacements and velocities. Then the solution is sought by minimizing the inner product of the residuals in the two equations (an unconventional approach) over typical time interval to obtain a symmetric set of algebraic equations involving displacements and velocities at two subsequent intervals. The new time integration scheme is termed the cross weighted-residual (CWR) time integration scheme because each of the two residuals takes the other one as a weight function in the minimization. The CWR time integration scheme is developed by using a uniform linear time approximation of the displacement and velocity fields to yield only a single step time integration scheme, which is comparable to the Newmark family of time integration scheme. A reduced integration technique is used to prevent velocity locking, which is caused by linear approximation of both the displacement and velocity fields. For the verification of the consistency and the stability, the CWR time integration scheme is tested with single-degree as well as multi-degree of freedom problems. The scheme performs extremely well compared with those of the well-known Newmark family of time integration schemes.

A Cross Weighted-Residual Time Integration Scheme for Structural Dynamics

A nonlinear 1-D finite element analysis of rods/tubes made of incompressible neo-Hookean materials using higher-order theory

IN THIS STUDY, MIXED FINITE ELEMENT MODELS OF PLATE BENDING ARE DEVELOPED TO INCLUDE OTHER VARIABLES (E.G., THE MEMBRANE FORCES AND SHEAR FORCES) IN ADDITION TO THE GENERALIZED DISPLACEMENTS TO INVESTIGATE THEIR EFFECT ON NONLINEAR RESPONSE. VARIOUS FINITE ELEMENT MODELS ARE DEVELOPED USING THE WEIGHTED-RESIDUAL STATEMENTS OF SUITABLE EQUATIONS. THE CLASSICAL PLATE THEORY AND THE FIRST-ORDER SHEAR DEFORMATION PLATE THEORY ARE USED IN THIS STUDY AND THE VON KARMAN NONLINEAR STRAINS ARE ACCOUNTED FOR. EACH NEWLY DEVELOPED MODEL IS EXAMINED AND COMPARED WITH DISPLACEMENT FINITE ELEMENT MODELS TO EVALUATE THEIR PERFORMANCE. NUMERICAL RESULTS SHOW THAT THE NEW MIXED MODELS DEVELOPED HEREIN SHOW BETTER ACCURACY THAN EXISTING DISPLACEMENT BASED MODELS.

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Novel mixed finite element models for nonlinear analysis of plates

Characteristics of Silicon-Doped CNT-Reinforced Nanocomposites

The paper considers developments of constitutive theories in Eulerian description for compressible as well as incompressible ordered homogeneous and isotropic thermofluids in which the deviatoric Cauchy stress tensor and the heat vector are functions of density, temperature, temperature gradient, and the convected time derivatives of the strain tensors of up to a desired order. The fluids described by these constitutive theories are called ordered thermofluids due to the fact that the constitutive theories for the deviatoric Cauchy stress tensor and heat vector are dependent on the convected time derivatives of the strain tensor up to a desired order, the highest order of the convected time derivative of the strain tensor in the argument tensors defines the ‘order of the fluid’. The admissibility requirement necessitates that the constitutive theories for the stress tensor and heat vector satisfy conservation laws, hence, in addition to conservation of mass, balance of momenta, and conservation of energy, the second law of thermodynamics, that is, Clausius–Duhem inequality must also be satisfied by the constitutive theories or be used in their derivations. If we decompose the total Cauchy stress tensor into equilibrium and deviatoric components, then Clausius–Duhem inequality and Helmholtz free energy density can be used to determine the equilibrium stress in terms of thermodynamic pressure for compressible fluids and in terms of mechanical pressure for incompressible fluids, but the second law of thermodynamics provides no mechanism for deriving the constitutive theories for the deviatoric Cauchy stress tensor. In the development of the constitutive theories in Eulerian description, the covariant and contravariant convected coordinate systems, and Jaumann measures are natural choices. Furthermore, the mathematical models for fluids require Eulerian description in which material point displacements are not measurable. This precludes the use of displacement gradients, that is, strain measures, in the development of the constitutive theories. It is shown that compatible conjugate pairs of convected time derivatives of the deviatoric Cauchy stress and strain measures in co-, contravariant, and Jaumann bases in conjunction with the theory of generators and invariants provide a general mathematical framework for the development of constitutive theories for ordered thermofluids in Eulerian description. This framework has a foundation based on the basic principles and axioms of continuum mechanics but the resulting constitutive theories for the deviatoric Cauchy stress tensor must satisfy the condition of positive work expanded, a requirement resulting from the entropy inequality. The paper presents a general theory of constitutive equations for ordered thermofluids which is then specialized, assuming first-order thermofluids, to obtain the commonly used constitutive theories for compressible and incompressible generalized Newtonian and Newtonian fluids. It is demonstrated that the constitutive theories for ordered thermofluids of all orders are indeed rate constitutive theories. We have intentionally used the term ‘thermofluids’ as opposed to ‘thermoviscous fluids’ due to the fact that the constitutive theories presented here describe a broader group of fluids than Newtonian and generalized Newtonian fluids that are commonly referred as thermoviscous fluids.

J. N. Reddy

Papers

A Cross Weighted-Residual Time Integration Scheme for Structural Dynamics

A nonlinear 1-D finite element analysis of rods/tubes made of incompressible neo-Hookean materials using higher-order theory

Novel mixed finite element models for nonlinear analysis of plates

Characteristics of Silicon-Doped CNT-Reinforced Nanocomposites

Rate constitutive theories for ordered thermofluids