JPL Energy Consumption Program (ECP) documentation: A computer model simulating heating, cooling and energy loads in buildings

The engineering manual provides a complete companion documentation about the structure of the main program and subroutines, the preparation of input data, the interpretation of output results, access and use of the program, and the detailed description of all the analytic, logical expressions and flow charts used in computations and program structure. A numerical example is provided and solved completely to show the sequence of computations followed. The program is carefully structured to reduce both user's time and costs without sacrificing accuracy. The user would expect a cost of CPU time of approximately $5.00 per building zone excluding printing costs. The accuracy, on the other hand, measured by deviation of simulated consumption from watt-hour meter readings, was found by many simulation tests not to exceed + or - 10 percent margin

Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria

We examine the real space structure and the electronic structure (particularly Ce4f electron localization) of oxygen vacancies in CeO2 (ceria) as a function of U in density functional theory studies with the rotationally invariant forms of the LDA+U and GGA+U functionals. The four nearest neighbor Ce ions always relax outwards, with those not carrying localized Ce4f charge moving furthest. Several quantification schemes show that the charge starts to become localized at U≈3eV and that the degree of localization reaches a maximum at ∼6eV for LDA+U or at ∼5.5eV for GGA+U. For higher U it decreases rapidly as charge is transferred onto second neighbor O ions and beyond. The localization is never into atomic corelike states; at maximum localization about 80–90% of the Ce4f charge is located on the two nearest neighboring Ce ions. However, if we look at the total atomic charge we find that the two ions only make a net gain of (0.2–0.4)e each, so localization is actually very incomplete, with localization of Ce4f electrons coming at the expense of moving other electrons off the Ce ions. We have also revisited some properties of defect-free ceria and find that with LDA+U the crystal structure is actually best described with U=3–4eV, while the experimental band structure is obtained with U=7–8eV. (For GGA+U the lattice parameters worsen for U>0eV, but the band structure is similar to LDA+U.) The best overall choice is U≈6eV with LDA+U and ≈5.5eV for GGA+U, since the localization is most important, but a consistent choice for both CeO2 and Ce2O3, with and without vacancies, is hard to find

Multiplicity fluctuations in relativistic nuclear collisions

Multiplicity distributions of hadrons produced in central nucleus-nucleus collisions are studied within the hadron-resonance gas model in the large volume limit. In the canonical ensemble conservation of three charges (baryon number, electric charge, and strangeness) is enforced. In addition, in the micro-canonical ensemble energy conservation is included. An analytical method is used to account for resonance decays. Multiplicity distributions and scaled variances for negatively charged hadrons are presented along the chemical freeze-out line of central Pb+Pb (Au+Au) collisions from SIS to LHC energies. Predictions obtained within different statistical ensembles are compared with preliminary NA49 experimental results on central Pb+Pb collisions in the SPS energy range. The measured fluctuations are significantly narrower than a Poisson reference distribution, and clearly favor expectations for the micro-canonical ensemble.Comment: 6 pages, 3 figure

Dynamic Structure Factor of Liquid and Amorphous Ge From Ab Initio Simulations

We calculate the dynamic structure factor S(k,omega) of liquid Ge (l-Ge) at temperature T = 1250 K, and of amorphous Ge (a-Ge) at T = 300 K, using ab initio molecular dynamics. The electronic energy is computed using density-functional theory, primarily in the generalized gradient approximation, together with a plane wave representation of the wave functions and ultra-soft pseudopotentials. We use a 64-atom cell with periodic boundary conditions, and calculate averages over runs of up to 16 ps. The calculated liquid S(k,omega) agrees qualitatively with that obtained by Hosokawa et al, using inelastic X-ray scattering. In a-Ge, we find that the calculated S(k,omega) is in qualitative agreement with that obtained experimentally by Maley et al. Our results suggest that the ab initio approach is sufficient to allow approximate calculations of S(k,omega) in both liquid and amorphous materials.Comment: 31 pages and 8 figures. Accepted for Phys. Rev.

Classification of protein interaction sentences via gaussian processes

The increase in the availability of protein interaction studies in textual format coupled with the demand for easier access to the key results has lead to a need for text mining solutions. In the text processing pipeline, classification is a key step for extraction of small sections of relevant text. Consequently, for the task of locating protein-protein interaction sentences, we examine the use of a classifier which has rarely been applied to text, the Gaussian processes (GPs). GPs are a non-parametric probabilistic analogue to the more popular support vector machines (SVMs). We find that GPs outperform the SVM and na\"ive Bayes classifiers on binary sentence data, whilst showing equivalent performance on abstract and multiclass sentence corpora. In addition, the lack of the margin parameter, which requires costly tuning, along with the principled multiclass extensions enabled by the probabilistic framework make GPs an appealing alternative worth of further adoption

Controllability and controller-observer design for a class of linear time-varying systems

“The final publication is available at Springer via http://dx.doi.org/10.1007/s10852-012-9212-6"In this paper a class of linear time-varying control systems is considered. The time variation consists of a scalar time-varying coefficient multiplying the state matrix of an otherwise time-invariant system. Under very weak assumptions of this coefficient, we show that the controllability can be assessed by an algebraic rank condition, Kalman canonical decomposition is possible, and we give a method for designing a linear state-feedback controller and Luenberger observer

Theoretical Analysis of Double Logistic Distributed Activation Energy Model for Thermal Decomposition Kinetics of Solid Fuels

The distributed activation energy model (DAEM) has been widely used to analyze the thermal decomposition of solid fuels such as lignocellulosic biomass and its components, coal, microalgae, oil shale, waste plastics, and polymer etc. The DAEM with a single distribution of activation energies cannot describe those reactions well since the thermal decomposition normally involves multiple sub-processes of various components. The double DAEM employs a double distribution to represent the activation energies. The Gaussian distribution is usually used to represent the activation energies. However, it is not sufficiently accurate for addressing the activation energies in the initial and final stages of the thermal decomposition reactions of solid fuels. Compared to the Gaussian distribution, the logistic distribution is slightly thicker at the curve tail and suits better to describe the activation energy distribution. In this work, a theoretical analysis of the double logistic DAEM for the thermal decomposition kinetics of solid fuels has been systematically investigated. After the derivation of the double logistic DAEM, its numerical calculation method and the physical meanings of the model parameters have been presented. Three typical types of simulated double logistic DAEM processes have been obtained according to the overlapped situation of two derivative conversion peaks, namely separated, overlapped and partially overlapped processes. It is found that, for the partially overlapped process, the form of the minor peak (overlapped peak or peak shoulder) depends on the values of the frequency factor and heating rate. Considering the simulated processes and related examples from literature, the double logistic DAEM has been remarked as a more reliable tool with abundant flexibility to explain the thermal decomposition of various solid fuels. More accurate results are expected if the double logistic DAEM is coupled with the computational fluid dynamics (CFD) simulation for those reactions mentioned above

Generation of two-mode nonclassical states and a quantum phase gate operation in trapped ion cavity QED

We propose a scheme to generate nonclassical states of a quantum system, which is composed of the one-dimensional trapped ion motion and a single cavity field mode. We show that two-mode SU(2) Schr\"odinger-cat states, entangled coherent states, two-mode squeezed vacuum states and their superposition can be generated. If the vibration mode and the cavity mode are used to represent separately a qubit, a quantum phase gate can be implemented.Comment: to appear in PR

The Design of a Best Execution Market

The notion of best execution on securities markets is manifold. Best execution has different meanings to different market participants, therefore, it is difficult to find a unique market structure that meets this requirements for all the participants. Traditional market structures are either static or flexible, meaning that an individual market participant has no influence regarding the concrete market structure’s characteristics, like e. g. the price discovery mechanism, trading frequency or the market transparency. Traditional market structures are either static or flexible, meaning that an individual market participant has no influence regarding the Focussing on customer orientation, we propose a new type of market structure: the dynamic market model, where participants individually choose the characteristics of the market structure for each transaction they perform. Furthermore, this paper offers an approach to design dynamic market models from scratch. We briefly sketch the necessary steps towards a dynamic market model. Traditional market structures are either static or flexible, meaning that an individual market participant has no influence regarding the Finally, we present AMTRAS; the prototype of an electronic trading system that was conceived and implemented following the aforementioned approach. AMTRAS is an software-agent based bond trading system designed for the need of institutional investors. It implements a dynamic market model, a sophisticated product- and partner matching scheme as well as an innovative price discovery approach

Multipartite entangled coherent states

We propose a scheme for generating multipartite entangled coherent states via entanglement swapping, with an example of a physical realization in ion traps. Bipartite entanglement of these multipartite states is quantified by the concurrence. We also use the $N$--tangle to compute multipartite entanglement for certain systems. Finally we establish that these results for entanglement can be applied to more general multipartite entangled nonorthogonal states.Comment: 7 pages, two figures. We added more detail discussions on the generation of multipartite entangled coherent states and multipartite entangelemen