Bennett clocking of quantum-dot cellular automata and the limits to binary logic scaling

We examine power dissipation in different clocking schemes for molecular quantum-dot cellular automata (QCA) circuits. 'Landauer clocking' involves the adiabatic transition of a molecular cell from the null state to an active state carrying data. Cell layout creates devices which allow data in cells to interact and thereby perform useful computation. We perform direct solutions of the equation of motion for the system in contact with the thermal environment and see that Landauer's Principle applies: one must dissipate an energy of at least k(B)T per bit only when the information is erased. The ideas of Bennett can be applied to keep copies of the bit information by echoing inputs to outputs, thus embedding any logically irreversible circuit in a logically reversible circuit, at the cost of added circuit complexity. A promising alternative which we term 'Bennett clocking' requires only altering the timing of the clocking signals so that bit information is simply held in place by the clock until a computational block is complete, then erased in the reverse order of computation. This approach results in ultralow power dissipation without additional circuit complexity. These results offer a concrete example in which to consider recent claims regarding the fundamental limits of binary logic scaling.     

Implementation of a crossbar network using quantum-dot cellular automata

This paper presents a novel method for the implementation of wire-crossing networks using quantum-dot cellular automata (QCA) cells. Such wire-crossing networks, also called crossbar networks, are an important part of modern programmable logic devices, such as programmable arrays of logic. The crossbar networks are made possible through the use of parallel-to-serial converters and special regions with latching signals that are selected to sample and hold a particular value of serial data at a selected time. The particular signal connections made within the crossbar network are determined solely by the timing of the special latching signals rather than through physical changes to the device, so the same physical structure can be dynamically reprogrammed to provide a variety of different interconnection functions at different times. This wire-crossing network does not suffer from the shortcomings of the previously demonstrated QCA wire-crossing method, which required the use of rotated cells located on an interstitial cell spacing grid. This device only uses cells with a standard orientation on a regularly spaced grid.     

A metric for characterizing the bistability of molecular quantum-dot cellular automata

Much of molecular electronics involves trying to use molecules as (a)?wires, (b)?diodes or (c)?field-effect transistors. In each case the criterion for determining good performance is well known: for wires it is conductance, for diodes it is conductance asymmetry, while for transistors it is high transconductance. Candidate molecules can be screened in terms of these criteria by calculating molecular conductivity in forward and reverse directions, and in the presence of a gating field. Hence so much theoretical work has focused on understanding molecular conductance. In contrast a molecule used as a quantum-dot cellular automata (QCA) cell conducts no current at all. The keys to QCA functionality are (a)?charge localization, (b)?bistable charge switching within the cell and (c)?electric field coupling between one molecular cell and its neighbor. The combination of these effects can be examined using the cell-cell response function which relates the polarization of one cell to the induced polarization of a neighboring cell. The response function can be obtained by calculating the molecular electronic structure with ab initio quantum chemistry techniques. We present an analysis of molecular QCA performance that can be applied to any candidate molecule. From the full quantum chemistry, all-electron ab initio calculations we extract parameters for a reduced-state model which reproduces the cell-cell response function very well. Techniques from electron transfer theory are used to derive analytical models of the response function and can be employed on molecules too large for full ab initio treatment. A metric is derived which characterizes molecular QCA performance the way transconductance characterizes transistor performance. This metric can be assessed from absorption measurements of the electron transfer band or quantum chemistry calculations of appropriate sophistication.     

QCADesigner: a rapid design and Simulation tool for quantum-dot cellular automata

This paper describes a project to create a novel design and simulation tool for quantum-dot cellular automata (QCA), namely QCADesigner. QCA logic and circuit designers require a rapid and accurate simulation and design layout tool to determine the functionality of QCA circuits. QCADesigner gives the designer the ability to quickly layout a QCA design by providing an extensive set of CAD tools. As well, several simulation engines facilitate rapid and accurate simulation. This tool has already been used to design full-adders, barrel shifters, random-access memories, etc. These verified layouts provide motivation to continue efforts toward a final implementation of QCA circuits.     

A method of majority logic reduction for quantum cellular automata

The basic Boolean primitive in quantum cellular automata (QCA) is the majority gate. In this paper, a method for reducing the number of majority gates required for computing three-variable Boolean functions is developed to facilitate the conversion of sum-of-products expression into QCA majority logic. Thirteen standard functions are introduced to represent all three-variable Boolean functions and the simplified majority expressions corresponding to these standard functions are presented. We describe a novel method for using these standard functions to convert the sum-of-products expression to majority logic. By applying this method, the hardware requirements for a QCA design can be reduced. As an example, a 1-bit QCA adder is constructed with only three majority gates and two inverters. The adder is designed and simulated using QCADesigner, a design and simulation tool for QCA. We will show that the proposed method is very efficient and fast in deriving the simplified majority expressions in QCA design.     

Discrepancy between fatigue and dwell-fatigue behavior of near alpha titanium alloys simulated by cellular automata

Cellular automata were used to simulate microstructure heterogeneities at local (one grain) and global (aggregate of grains) levels in an attempt to better understand the large discrepancies observed between fatigue and dwell-fatigue behaviors of some titanium alloys. Eshelby theory was used to estimate the local stresses and strains developed in the microstructure. In the case of simple fatigue tests, loading and unloading stages were used to calculate and describe the strain accumulation history. For dwell fatigue analysis, a thirty second steady state at maximum load was applied to simulate the dwell period. In the present study, the local stress, strain and creep rate in each grain are calculated as a function of the mechanical properties of the neighboring grains. The data are then compiled and the overall behavior of the aggregate is predicted. The results can reproduce and explain some specific features observed experimentally in fatigue and dwell-fatigue tests of near alpha titanium alloys.     

Modelling and verification of program logic controllers using timed automata

Validation is an important task in complex embedded system designs. A method of modelling and analysing embedded systems with programmable logic controllers is presented. Controllers and physical plants are modelled using timed automata. The system requirements are specified and formalised as computational tree logic properties. It is demonstrated that the designed model satisfies the required properties by resorting to a symbolic model checker, Uppaal, for real-time systems. A realistic example, the steeve controller of a theatre, illustrates the strategies. The safety and time constraint requirements are validated by Uppaal. The experimental results demonstrate the effectiveness of the approach presented here.     

A combined approach for modeling particle behavior in granular impact damper using discrete element method and cellular automata

A particle impact damper is a vibration absorber type that consists of a container attached to a primary vibrating structure. It also contains many particles that are constrained to move inside the container, whereby the damping effect can be obtained by collision between particles and the container. The discrete element method (DEM) has been developed for modeling granular systems, where the kinematics of each particle are calculated numerically using the equations of motion. However, the computational time is significant since the algorithm checks for particle contacts for all possible particle combinations. The use of a cellular automata (CA) modeling technique may provide increased computational efficiency due to the local updating of variables, and the discrete treatment of time and space. In this study, we propose a new approach combining DEM with CA for modeling a granular damper under a forced excitation. We use DEM to describe the particle motion according to the equations of motion, while CA is introduced for the particle contact checks in discrete space. We also investigate the effect of simplification in the contact force model, which allows the unit time step of numerical integration to become larger than that used in the strict model. It is shown that the suggested particle contact scanning method and the force approximation model contribute to the reduction of the computational time, and neither degenerates the calculation accuracy nor causes the numerical instability.     

Prediction of microstructural features and forming of friction stir welded sheets using cellular automata finite element (CAFE) approach

The main aim of the present work is to predict the microstructural features like grain size and dislocation density in the weld zone during friction stir welding (FSW) of similar (Al6061T6/Al6061T6) and dissimilar (Al6061T6/Al5086O) Aluminium grades using Cellular Automata Finite Element (CAFE) approach. The FSW process is not modelled with the stirring action, instead heat flux, strain-rate and strain are incorporated by analytical models. The grain size is controlled through cellular automata (CA) cells and dislocation density is related to this by two different (analytical and empirical) models. After FSW, four different methods are proposed for predicting the tensile behaviour of weld zone and the efficiency of these methods is evaluated through validations. The results indicate that the thermal, strain-rate, and strain models are accurate enough in their predictions when compared with existing results. The grain size predictions from CAFE model, which include the transition rule, are also consistent with the literature results, both for similar and dissimilar material combinations. The analytical model shows better dislocation density prediction than empirical model when compared with the experimental data. Of all the methods proposed for tensile behaviour prediction, the CAFE model that includes dislocation density evolution using the second model is efficient and accurate. The stress–strain data predicted from an averaged flow stress of many CA cells is also encouraging. Through these results, it has been demonstrated that the CAFE approach along with few validated analytical models can be used to predict the micro-features and forming aspects during FSW consistently.     

基于元胞自动机的陶瓷复合材料的设计与制备

基于元胞自动机理论对ZrB2/(W,Ti)C陶瓷复合材料进行了模拟,并对其进行了相关实验验证。模拟结果表明,随着(W,Ti)C含量的增加,晶粒的形貌不断地发生演化,(W,Ti)C加入的比例较合理时晶粒大小合适并分布比较均匀。实验结果表明,晶粒的尺寸随模拟的变化规律与实际情况较为吻合,利用元胞自动机理论进行复合材料的模拟,可以很好地模拟复合材料的微观组织演化。     

Strain rate sensitivity and Hall-Petch behavior of ultrafine-grained gold wires

The strain rate sensitivity and Hall-Petch behavior of ultrafine-grained gold (Au) wires were evaluated and compared to results outlined in a similar study conducted on both coarse and ultrafine-grained Au films by Emery [R.D. Emery, G.L. Povirk, Acta Mater. 51 (2003) 2067; R.D. Emery, G.L. Povirk, Acta Mater. 51 (2003) 2079]. The results showed that the strain rate sensitivity (m) of fine-grained Au films is ∼ 0.2, whereas coarse-grained Au films are strain-rate insensitive. In comparison, fine-grained Au wires have a weak m of only 0.02. The Hall-Petch coefficient (k) of Au wires range between 0.02 and 0.06 MPa m^1/2, while the k value of Au film is higher (k ∼ 0.25 MPa m^1/2). These results imply that Au films have a larger strength contribution from the grain boundaries than wires. Addition of calcium in Au wires does not change m, but increases the k value. The difference in k could possibly be attributed to the ability of Ca to increase dislocation density along the grain boundaries.     

Thermodynamic solubility and solvation behavior of ferulic acid in different (PEG-400 + water) binary solvent mixtures

This work was carried out to determine solubility, solution thermodynamics, solvation behavior, and molecular interactions of a natural compound ferulic acid (FLA) in different ‘[polyethylene glycol-400 (PEG-400) + water]’ binary solvent mixtures at ‘T?=?298.2 K to 318.2?K’ and ‘p?=?0.1?MPa.’ The mole fraction solubilities (x_e) of FLA were determined by liquid chromatographic technique using a static equilibrium technique. The obtained solubility data of FLA were regressed using ‘Van’t Hoff, Apelblat, Yalkowsky-Roseman and Jouyban-Acree models.’ The solubility of FLA (expressed in mole fraction) was enhanced with elevation in absolute temperature in each ‘PEG-400?+?water’ binary solvent mixture evaluated. The maximum x_e values of FLA were recorded in neat PEG-400 (1.94?×?10^?1) at ‘T?=?318.2 K.’ While, the minimum one was obtained in neat water (4.90?×?10^?5) at ‘T?=?298.2 K.’ The molecular interactions between FLA-PEG-400 and FLA-water were obtained by determination of activity coefficients of FLA in different ‘PEG-400?+?water’ binary solvent mixtures. The physical data of activity coefficients recorded in this work suggested strong molecular interactions in FLA-PEG-400 in comparison with FLA-water. ‘Apparent thermodynamic analysis’ suggested an ‘endothermic and entropy-driven dissolution’ of FLA in each ‘PEG-400?+?water’ binary solvent mixture investigated.     

陶瓷材料烧结致密化过程的元胞自动机模拟

为研究陶瓷材料烧结致密化过程,以晶界能和晶界曲率生长驱动力理论为基础,建立了含有气孔的二相晶粒生长的元胞自动机模型,对陶瓷材料烧结致密化过程进行了模拟,并与制备的Al2O3/TiN陶瓷材料进行对比.结果表明,模型可有效地模拟陶瓷材料烧结时晶粒的生长及气孔的湮灭情况,能较好地再现烧结致密化过程,模拟结果与制备的陶瓷材料微观形貌组织十分接近.     

Solving advanced network reliability problems by means of cellular automata and Monte Carlo sampling

This paper extends the cellular automata-based, Monte Carlo sampling methodology for computing network reliability, previously proposed by the first author. The extension regards the development of cellular automata for the solution of the all-terminal and k-terminal connection problems and the maximum unsplittable flow problem, which can be considered as a particular, simplified case of the maximum flow distribution problem. The algorithms developed are presented in detail and verified on literature cases.     

Thermodynamic properties of HFC-32 (difluoromethane)

An 18-coefficient modified Benedict–Webb–Rubin equation of state of HFC-32 (difluoromethane) has been developed, based on the updated available PVT measurements, heat capacity measurements and speed of sound measurements. Correlations of vapor pressure and saturated liquid density are also presented. The correlations have been developed based on the reported experimental saturation properties data. This equation of state is effective both in the superheated gaseous phase and compressed liquid phase at pressures up to 70 MPa, densities to 1450 kg/m³, and temperatures from 150 to 475 K, respectively.     

A simulation study on the thermal buckling behavior of laminated composite shells with embedded shape memory alloy (SMA) wires

In this paper, numerical simulation analyses of the thermal buckling behavior of laminated composite shells with embedded shape memory alloy (SMA) wires were performed to investigate the effect of embedded SMA wires on the characteristics of thermal buckling. In order to simulate the thermomechanical behavior of SMA wires, the constitutive equation of the SMA wires was formulated in the form of an ABAQUS user subroutine. The computational program was verified by showing the response of the pseudoelasticity and shape memory effect (SME) at various temperatures and stress levels. Modeling of the laminated composite shells with embedded SMA wires and thermal buckling analyses were performed with the use of the ABAQUS code linked with the subroutine of the formulated SMA constitutive equations. The thermal buckling analyses of the composite shells with embedded SMA wires show that the critical buckling temperature can be increased and the thermal buckling deformation can be decreased by using the activation force of embedded SMA wire actuators.     

Polarized Raman spectroscopy and X-ray diffuse scattering in InGaAs/GaAs(100) quantum-dot chains

Using polarized Raman spectroscopy and high resolution X-ray diffraction we have investigated self-organized In_0.45Ga_0.55As quantum-dot chains in InGaAs/GaAs multilayer structures. It is shown that the formation of InGaAs QDs in InGaAs/GaAs multilayered structures is accompanied by a strong improvement in the uniformity of size and shapes of QDs as well as vertical alignment and lateral ordering. At mean densities, extended chains of QDs (up to 5 μm) appear along the $ [1\bar 10] $ direction; however, increased ordering of QDs along the [110] direction could be observed, too. For the first time, InGaAs dot-chains were investigated using polarized Raman scattering. Observation of optical phonons localized in InGaAs QDs and two-dimensional (2D) layers is demonstrated. An obvious anisotropy in the intensity of Raman modes was observed when the electric field vector of the exciting laser beam is parallel or perpendicular to the wire-like axis $ [1\bar 10] $ of dot-chains. This effect may be related to symmetry lowering effects and real anisotropic geometry of the QDs and 2D wetting layers.     

InP(001)基衬底上自组织生长InAs量子点(线)的光学性质研究

在InP(001)基衬底上用分子柬外延方法生长InAs纳米结构材料，通过衬底的旋转与否及混合生长模式，得到了两种InAs量子点和量子线，并研究了量子点、线的光学性质，结果表明，两种方式都可生长出较强发光的量子点(线)；由量子点排列构成的量子线的光致发光光谱呈现出多峰结构，分析和理论计算表明这是InAs量子线上各量子点在垂直方向上不同高度分布和非连续性而造成的。     

Thermodynamic properties of octofluorocyclobutane (Freon C-318)

The specific heat C _s of octofluorocyclobutane has been measured between –36° and +44° C using the apparatus of [1]. A table of thermo-dynamic properties of liquid Freon C-318 and its saturated vapor has been prepared based on the thermal parameters in [2] and experimental values of the specific heat.     

Simulation of static recrystallization in non-isothermal annealing using a coupled cellular automata and finite element model

A coupled cellular automata and finite element model has been proposed to evaluate static recrystallization kinetics during non-isothermal annealing of cold deformed low carbon steels. The effects of various factors including heating rate, annealing temperature, and initial microstructures have been considered in the model to accurately predict the static recrystallization kinetics and the final microstructures. In order to examine the employed algorithm, the predicted results have been compared with the experimental observations and a good agreement was found between the two sets of results.