scholarly journals Effective 1D Time-Dependent Schrödinger Equations for 3D Geometrically Correlated Systems

Materials ◽  
2020 ◽  
Vol 13 (13) ◽  
pp. 3033
Author(s):  
Devashish Pandey ◽  
Xavier Oriols ◽  
Guillermo Albareda

The so-called Born–Huang ansatz is a fundamental tool in the context of ab-initio molecular dynamics, viz., it allows effectively separating fast and slow degrees of freedom and thus treating electrons and nuclei with different mathematical footings. Here, we consider the use of a Born–Huang-like expansion of the three-dimensional time-dependent Schrödinger equation to separate transport and confinement degrees of freedom in electron transport problems that involve geometrical constrictions. The resulting scheme consists of an eigenstate problem for the confinement degrees of freedom (in the transverse direction) whose solution constitutes the input for the propagation of a set of coupled one-dimensional equations of motion for the transport degree of freedom (in the longitudinal direction). This technique achieves quantitative accuracy using an order less computational resources than the full dimensional simulation for a typical two-dimensional geometrical constriction and upto three orders for three-dimensional constriction.

Joint Rail ◽  
2004 ◽  
Author(s):  
Mohammad Durali ◽  
Mohammad Mehdi Jalili Bahabadi

In this article a train model is developed for studying train derailment in passing through bends. The model is three dimensional, nonlinear, and considers 43 degrees of freedom for each wagon. All nonlinear characteristics of suspension elements as well as flexibilities of wagon body and bogie frame, and the effect of coupler forces are included in the model. The equations of motion for the train are solved numerically for different train conditions. A neural network was constructed as an element in solution loop for determination of wheel-rail contact geometry. Derailment factor was calculated for each case. The results are presented and show the major role of coupler forces on possible train derailment.


Author(s):  
Stefan Reichl ◽  
Wolfgang Steiner

This work presents three different approaches in inverse dynamics for the solution of trajectory tracking problems in underactuated multibody systems. Such systems are characterized by less control inputs than degrees of freedom. The first approach uses an extension of the equations of motion by geometric and control constraints. This results in index-five differential-algebraic equations. A projection method is used to reduce the systems index and the resulting equations are solved numerically. The second method is a flatness-based feedforward control design. Input and state variables can be parameterized by the flat outputs and their time derivatives up to a certain order. The third approach uses an optimal control algorithm which is based on the minimization of a cost functional including system outputs and desired trajectory. It has to be distinguished between direct and indirect methods. These specific methods are applied to an underactuated planar crane and a three-dimensional rotary crane.


2011 ◽  
Vol 11 (06) ◽  
pp. 1201-1228 ◽  
Author(s):  
AJAY SHARMA ◽  
R. S. JANGID

The influence of high initial isolator stiffness on the response of a base-isolated benchmark building is investigated. The base-isolated building is modeled as a three-dimensional linear-elastic structure having three degrees-of-freedom at each floor level. The time-history analysis of this building is carried out by solving the governing equations of motion using Newmark-beta method along with an iterative predictor–corrector approach. The force–deformation behavior of the isolation system is modeled by a bilinear law, which can be effectively used to model all isolation systems in practice. Three near-field earthquakes with bidirectional ground motions are considered. Structural response parameters such as absolute top floor acceleration, base shear, and base displacement are chosen for investigating the effects of high initial isolator stiffness. It was observed that the high initial isolator stiffness of the isolation system excites the higher modes in the base-isolated building and increases the top floor acceleration. Such a phenomenon can be detrimental to the sensitive instruments placed in the isolated structure. On the other hand, both the base displacement and base shear reduce marginally due to increase in the initial isolator stiffness. Further, the influences of high initial isolator stiffness are found to dependent on the period and characteristic strengths of the base isolation system.


1990 ◽  
Vol 112 (3) ◽  
pp. 253-262
Author(s):  
R. G. Jessup ◽  
S. Venkatesh

This paper describes a dynamic model developed for the purpose of determining the final equilibrium configurations of buoyantly unstable icebergs. The model places no restrictions on the size, shape, or dimensionality of the iceberg, or on the variation range of the configuration coordinates. Furthermore, it includes all six degrees of freedom and is based on a Lagrangian formulation of the dynamic equations of motion. It can be used to advantage in those situations in which the iceberg has a complicated potential function and can acquire enough momentum and kinetic energy in the initial phase of its motion to make its final configuration uncertain on the basis of a static potential analysis. The behavior of the model is examined through several model simulations. The sensitivity of the final equilibrium position to the initial orientation and shape of the iceberg is clearly evident in the model simulations. Model simulations also show that when an iceberg is released from a nonequilibrium initial state, the time taken for it to settle down varies from about 40 s for a growler to nearly 400 s for a large iceberg. While these absolute times may change with better parameterization of the forces, the relative variations with iceberg size are likely to be preserved.


2012 ◽  
Vol 134 (6) ◽  
Author(s):  
Chulwoo Jung ◽  
Akira Saito ◽  
Bogdan I. Epureanu

A novel methodology to detect the presence of a crack and to predict the nonlinear forced response of mistuned turbine engine rotors with a cracked blade and mistuning is developed. The combined effects of the crack and mistuning are modeled. First, a hybrid-interface method based on component mode synthesis is employed to develop reduced-order models (ROMs) of the tuned system with a cracked blade. Constraint modes are added to model the displacements due to the intermittent contact between the crack surfaces. The degrees of freedom (DOFs) on the crack surfaces are retained as active DOFs so that the physical forces due to the contact/interaction (in the three-dimensional space) can be accurately modeled. Next, the presence of mistuning in the tuned system with a cracked blade is modeled. Component mode mistuning is used to account for mistuning present in the uncracked blades while the cracked blade is considered as a reference (with no mistuning). Next, the resulting (reduced-order) nonlinear equations of motion are solved by applying an alternating frequency/time-domain method. Using these efficient ROMs in a forced response analysis, it is found that the new modeling approach provides significant computational cost savings, while ensuring good accuracy relative to full-order finite element analyses. Furthermore, the effects of the cracked blade on the mistuned system are investigated and used to detect statistically the presence of a crack and to identify which blade of a full bladed disk is cracked. In particular, it is shown that cracks can be distinguished from mistuning.


Author(s):  
Jae-Hoon Lee ◽  
Yonghwan Kim

This study considers the evaluation of ship operational performance in real sea states using a time-domain approach. The current seakeeping-maneuvering coupling approach consists of two modules. First, in the seakeeping module, the time-domain three-dimensional Rankine panel method is applied to compute wave-induced forces and resultant ship motion. To validate this module, the computational results for wave drift force are compared with the existing experimental data for various forward speeds and regular wave conditions. Second, in the maneuvering module, the equations of motion with 4 degrees of freedom that are based on the Maneuvering Modeling Group are solved to simulate the ship navigation. The computed seakeeping and maneuvering values are immediately transferred between the two modules in the time domain, and so they are directly integrated. By applying this coupling method, a free-running simulation for a ship navigating along a given route is performed. The trajectory tracking method based on a proportional–derivative-based rudder control is adopted for straight course-keeping. Not only the speed loss but also the attitude for route maintenance is evaluated for various environmental load conditions. The simulation results are validated by a comparison with those of the existing free-running model test. Based on comparisons, environmental load effects and resultant quantities on operational performance are discussed.


Author(s):  
A Hassanpour ◽  
Seid H Pourtakdoust

Microburst is considered an extreme powerful hazard for aircrafts, especially during takeoff, approach and landing phases of flight. Current airborne piloting practices involve taking alternative routes, if early detection of microburst wind shear (MBW) for its effective avoidance is possible. In this respect, design and analysis of precision automatic flight path control systems for microburst penetration are of outmost importance whose success can significantly reduce crash risks and thus enhance the flight safety. The current study is focused on the design and analysis of a three-dimensional model predictive controller for a wide body transport type aircraft encountering MBW in approach to landing phase of flight. This task is performed utilizing the full nonlinear six degrees of freedom aircraft equations of motion and the most complete 3D model of the MBW and its gradients. The results are promising for online applications as the proposed model predictive controller-based controller has effectively guided and kept the aircraft on the approach glide path with negligible deviations against aircraft initial lateral displacements, sharp edge gust disturbance as well as the MBW.


Sign in / Sign up

Export Citation Format

Share Document