Subsystem Approach Research Articles

Predictive Simulations of Ionization Energies of Solvated Halide Ions with Relativistic Embedded Equation of Motion Coupled Cluster Theory

A subsystem approach for obtaining electron binding energies in the valence region is presented and applied to the case of halide ions (X^{-},X=F-At) in water. This approach is based on electronic structure calculations combining the relativistic equation-of-motion coupled cluster method for electron detachment and density functional theory via the frozen density embedding approach, using structures from classical molecular dynamics with polarizable force fields for discrete systems (in our study, droplets containing the anion and 50 water molecules). Our results indicate that one can accurately capture both the large solvent effect observed for the halides and the splitting of their ionization signals due to the increasingly large spin-orbit coupling of the p_{3/2}-p_{1/2} manifold across the series, at an affordable computational cost. Furthermore, owing to the quantum mechanical treatment of both solute and solvent electron binding energies of semiquantitative quality are also obtained for (bulk) water as by-products of the calculations for the halogens (in droplets).

Deindustrialization and the technological intensity of manufacturing subsystems in the European Union

This paper provides new and deeper evidence on the extent and the main characteristics of the deindustrialization process in the EU27 over the period 1995‒2011. This evidence is linked to the debate on the “manufacturing imperative” and the need for a renewed approach to industrial policy in the European Union. To investigate the issue, we adopt a subsystem approach, based on input‒output tables from the World Input‒Output Database, and decompose subsystems according to three different technological taxonomies. The analysis shows that the deindustrialization process affecting the EU27 is not homogeneous. Great differences exist between the EU15 and the other EU countries and among the technological classes of manufacturing. This evidence confirms and better delimits the effects of the hierarchical reorganization of the EU’s industrial structure and of the processes of intra-European offshoring described in the literature. The general result is that the horizontal industrial policies, and in particular the horizontal innovation policies promoted since the early 1990s, appear to have failed to achieve the objective of strengthening the influence of high-technology production on economic growth across the European economies.

The factors influencing production and economic efficiency of beef cattle farm in Grobogan Region, Central Java

The study was aimed to analyze the on-farm agribusiness subsystem approach at farm household, to analyze beef cattle production influencing factors and to analyze economic efficiency of beef cattle farm. The method use for research was survey method at Wirosari District and Purwodadi District, Grobogan Regency as research location. Each district was determined two villages to obtain data from respondent. Quota sampling method was use for determination the number of beef cattle farm household without a counting of population as a sampling frame. The number of respondent for each village was 20 farmers, so the total respondent was 80 farmers. Data were analyzed descriptively for on farm sub-system agribusiness approach, multiple linear regression and economic efficiency. The research result showed that the on-farm agribusiness subsystem was on moderate to good condition, the influencing factors of production were breed, forage, concentrate, health, reproduction, labor, year of farming and agribusiness implementation. The value of reproduction efficiency was 8.975 higher than 1, it was not efficient. The efficiency of farm scale, forage, concentrate, health and labor were 0.352; 0.128; 0.0148; 0.0235 and 0.0834 respectively less than 1, and it had not been efficient yet. The conclusion of research was the agribusiness implementation in beef cattle farming was in moderate and good criteria and gave the benefit to farmers. Production factors of farm scale, forage, concentrate, health, reproduction, labor, years of farming and agribusiness implementation were influence to the beef cattle production. The efficiency of farm scale, forage, concentrate, health, and labor on the beef cattle farm were not been efficient yet, while reproduction became an inefficient production factor.

The two-way integration between manufacturing and services

ABSTRACTIn recent decades, developed economies have shown increasing employment in the services sector. This trend was accompanied by a contraction in the manufacturing sector. The traditional sectoral boundaries are becoming more blurred, causing some difficulties in the determination of the role of each industry in the economic system. This paper explores this topic by adopting a methodological approach that is different from the traditional analysis in the six main member countries in the Organization for Economic Cooperation and Development. In particular, following Pasinetti’s input–output subsystem approach, the paper describes interindustrial linkages from a vertical perspective. The analysis allows us to capture a growing gap across those countries in the dynamics of both manufacturing and services. These differences do not seem to emerge using the traditional approach.

The Systems and Design Philosophy of Mosquito 2.0

The MSOE Underwater Robotics Team is a fifth year student organization at the Milwaukee School of Engineering. Last year, the team attended the international competition at NASA’s Neutral Buoyancy Laboratory and placed fifth attracting the attention of the new students and faculty members. This year’s ROV, Mosquito 2.0, was designed specifically to be compact, practical and modular, focusing on adaptability and stability to be able to complete any scheduled task, while being able to change critical systems for future endeavors. A subsystem approach to design allowed a lot of collaboration to happen since each part of the ROV could be worked on separately and brought together with ease.

Optimal subsystem approach to multi-qubit quantum state discrimination and experimental investigation

Quantum computing is a significant computing capability which is superior to classical computing because of its superposition feature. Distinguishing several quantum states from quantum algorithm outputs is often a vital computational task. In most cases, the quantum states tend to be non-orthogonal due to superposition; quantum mechanics has proved that perfect outcomes could not be achieved by measurements, forcing repetitive measurement. Hence, it is important to determine the optimum measuring method which requires fewer repetitions and a lower error rate. However, extending current measurement approaches mainly aiming at quantum cryptography to multi-qubit situations for quantum computing confronts challenges, such as conducting global operations which has considerable costs in the experimental realm. Therefore, in this study, we have proposed an optimum subsystem method to avoid these difficulties. We have provided an analysis of the comparison between the reduced subsystem method and the global minimum error method for two-qubit problems; the conclusions have been verified experimentally. The results showed that the subsystem method could effectively discriminate non-orthogonal two-qubit states, such as separable states, entangled pure states, and mixed states; the cost of the experimental process had been significantly reduced, in most circumstances, with acceptable error rate. We believe the optimal subsystem method is the most valuable and promising approach for multi-qubit quantum computing applications.

The Performance Evaluation of High Specific Energy 18650-Size Lithium-Ion Cells for the Planned Europa Clipper Mission

NASA is planning to launch a mission to perform a detailed reconnaissance of the Jovian icy moon Europa. This mission, entitled the Europa Clipper, would involve a Jupiter-orbiting spacecraft that performs a science investigation of the surface during multiple flybys of the moon by utilizing a number of instruments, including an ice-penetrating radar that is intended to measure the thickness of the icy shell and the possible presence of a subsurface ocean. Ultimately, one objective of future missions to icy moons is to determine their habitability for life. The destination of Europa presents a number of technical challenges, since the spacecraft would be exposed to harsh radiation and extreme temperature environments. Furthermore, to comply with planetary protection protocols, the spacecraft would need to be sterile to avoid any potential contamination. The baseline power subsystem architecture for the Europa Clipper mission involves the use of solar arrays, power management electronics, and a rechargeable lithium-ion battery. 1 The preliminary design involves the use of high specific energy small 18650-size Li-ion cells that are assembled into large capacity multi-string batteries. This design approach capitalizes upon the presence of internal cell safety devices, excellent cell-to-cell reproducibility, and the fact that individual cell monitoring and balancing circuitry is not required. To meet the challenging mission requirements, we are currently evaluating a number of potential cell chemistries that could deliver the desired performance. Promising candidates should provide (i) good tolerance to high levels of radiation, (ii) good performance characteristics over a wide temperature ranges, and (ii) excellent storage life characteristics, since the cruise period to Europa is extremely long and could potentially be over 6.5 years in duration, depending upon the launch vehicle selected. In order to demonstrate the viability of candidate 18650-size Li-ion cells for use, a number of performance tests have been performed, including the following: (i) 100% DOD cycling under various conditions, (ii) charge and discharge rate characterization over a range of temperatures, (iii) short term storage tests at high temperatures, (iv) long-term storage tests at +25oC and 0oC, (v) module level 100% DOD cycle life testing at +20oC, (vi) module level long term storage testing at 0oC, and (vii) characterization after exposure to gamma-irradiation (60Co source). A number of these tests are focused upon establishing the long-term storage characteristics, with emphasis upon storing the cells on the bus at a partial state of charge at a fixed potential to mimic the spacecraft environment.2 Effort was also devoted to determining if the cell-to-cell voltage dispersion within 8-cell strings diverges when subjected to cycling and/or long term storage.3 As previously mentioned, the cell chemistries must be able to tolerate high doses of radiation, and there is some concern that performance loss may be observed due to the presence of organic electrolyte solutions and polymer binders and separators.4,5 To address this, cells were incrementally exposed to high levels of gamma-radiation using a 60Co source, and periodically characterized in terms of the capacity and impedance. In summary, promising candidate cell chemistries have been identified, and the test program implemented is essential to enable proper end of life performance projections and appropriate battery sizing ACKNOWLEDGEMENT The work described here was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration (NASA) and supported by the Europa Clipper Mission. REFERENCES 1. A. Ulloa-Severino, G. A. Carr, D. J. Clark, S. M. Orellana, R. Arellano, M.C. Smart, B.V. Ratnakumar, A. Boca, and S. F. Dawson, “Power Subsystem Approach for the Europa Mission”, 11th European Space Power Conference (ESPC), October 5, 2016. 2. B. V. Ratnakumar, M. C. Smart, and L. D. Whitcanack, “Storage Characteristics of Lithium-Ion Cells”, ECS Transactions, 25 (36), 297-306 (2010). 3. F. C. Krause, A. Lawrence, M. C. Smart, S. F. Dawson, A. Ulloa-Severino, and B. V. Ratnakumar, “Evaluation of Commercial High Energy Lithium-Ion Cells for Aerospace Applications”, 227th Meeting of the Electrochemical Society, #47580, May 28, 2015. 4. B. V. Ratnakumar, M. C. Smart, L. D. Whitcanack, E. D. Davies, and K. B. Chin, “Behavior of Li-Ion Cells in High-Intensity Radiation Environments”, J. Electrochem. Soc., 151 (4), A652- A659 (2004). 5. B. V. Ratnakumar, M. C. Smart, L. D. Whitcanack, E. D. Davies, K. B. Chin, F. Deligiannis, and S. Surampudi, “Behaviour of Li-Ion Cells in High-Intensity Radiation Environments: II. Sony/AEA/ComDEV Cells”, J. Electrochem. Soc., 152 (2), A357- A363 (2005).

Internationally Educated Health Professionals in Canada: Navigating Three Policy Subsystems Along the Pathway to Practice.

The integration of internationally educated health professionals (IEHPs) into the health workforces of their adopted countries is an issue that has challenged policy makers and policy scholars for decades. In this article, the authors explore the implications of the ideological underpinnings of the policy subsystems that IEHPs must navigate in seeking employment in Canada, with a focus on Ontario.Using a policy subsystem approach, in 2015 the authors analyzed a large preexisting data set composed of articles, governmental reports, Web sites, and transcripts of interviews and focus groups conducted in Ontario with IEHPs, health care executives, human resource managers, and job counselors to IEHPs. Through this analysis, they identified three policy subsystems-the immigration system, the educational and licensure/regulatory system, and the health human resources system-that conflict ideologically and, as a result, create barriers to IEHP integration.To make substantive progress on IEHP integration in Canada, four questions should be considered. First, how can researchers bring new research methods to bear to explore why no jurisdiction has been able to create an integrated pathway to practice for IEHPs? Second, how and to what end are the institutions within the three policy subsystems regulating the IEHP pathway to practice? Third, how might the educational and licensure/regulatory policy subsystem create alternative health care employment options for IEHPs? Finally, how might health professions educators pursue a leadership role in the creation of an overarching institution to manage the pathway to practice for IEHPs?

Generalized Switch Functions in the Multilevel Many-Body Expansion Method and Its Application to Water Clusters.

The many-body expansion (MBE) method is the basis of many fragment-based methods and is widely applied to the computation of large molecular systems. To reach linear-scaling computation, a cutoff must be used to discard those subsystems with long interfragment distances. However, this leads to a discontinuous potential energy surface (PES) that would cause various problems in geometry optimizations and molecular dynamics simulations. To solve this problem, we present a generalized-switch-function (GSF) approach to smooth the PES computed by the MBE method with the use of a cutoff distance. The GSFs are naturally normalized and are permutation invariant. This approach can be applied to adaptively computing any order of many-body correction energies with multilevel computational methods and is a dynamic subsystem approach. We have applied the two versions of our method, GSF-MBE(m)/L1 and GSF-MBE(m)/(L1:L2:L3), to water clusters. Thorough tests show that our method can indeed give smooth potential-energy surface and is linear scaling but without losing much accuracy for very large water clusters with appropriately chosen cutoff distances.

Structural change and blurred sectoral boundaries: assessing the extent to which knowledge-intensive business services satisfy manufacturing final demand in Western countries

ABSTRACTThis paper focuses on the vertical integration of knowledge-intensive business services (KIBS) into manufacturing sectors, using a subsystem approach to input–output analysis. It aims at correctly assessing the process of structural change that has occurred in the four main European countries (France, Germany, Italy and the UK) over time (1995–2005). It does not focus on KIBS sectors per se, but on their function as carriers and sources of knowledge which influences the performance of sectors, value chains and clusters across industries and within countries. The analysis shows that KIBS’ contribution to satisfying the final demand of manufacturing is in general largely underestimated; that KIBS vertical integration into manufacturing has increased over time in all the countries investigated except the UK; and that the extent to which manufacturing sectors outsource to KIBS is significantly affected by their technological intensity.

Who Is a Stream? Epistemic Communities, Instrument Constituencies and Advocacy Coalitions in Public Policy-Making

John Kingdon’s Multiple Streams Framework (MSF) was articulated in order to better understand how issues entered onto policy agendas, using the concept of policy actors interacting over the course of sequences of events in what he referred to as the “problem”, “policy” and “politics” “streams”. However, it is not <em>a priori</em> certain who the agents are in this process and how they interact with each other. As was common at the time, in his study Kingdon used an undifferentiated concept of a “policy subsystem” to group together and capture the activities of various policy actors involved in this process. However, this article argues that the policy world Kingdon envisioned can be better visualized as one composed of distinct subsets of actors who engage in one specific type of interaction involved in the definition of policy problems: either the articulation of problems, the development of solutions, or their enactment. Rather than involve all subsystem actors, this article argues that three separate sets of actors are involved in these tasks:<em> epistemic communities </em>are engaged in discourses about policy problems; <em>instrument constituencies</em> define policy alternatives and instruments; and <em>advocacy coalitions</em> compete to have their choice of policy alternatives adopted. Using this lens, the article focuses on actor interactions involved both in the agenda-setting activities Kingdon examined as well as in the policy formulation activities following the agenda setting stage upon which Kingdon originally worked. This activity involves the definition of policy goals (both broad and specific), the creation of the means and mechanisms to realize these goals, and the set of bureaucratic, partisan, electoral and other political struggles involved in their acceptance and transformation into action. Like agenda-setting, these activities can best be modeled using a differentiated subsystem approach.

A subsystem approach for analysis of dynamic vibration absorbers suppressing broadband vibration

Dynamic vibration absorbers are commonly designed and tuned to suppress vibrations of one vibration mode of a vibrating structure even it is a multi degree-of-freedom (MDOF) or continuous structure. Resonance at other vibration modes of the structure may still occur if the exciting force has a wide frequency band. A subsystem approach is proposed for analysis of the added stiffness and damping of vibration absorbers to the primary structure to which they are attached. The transfer function between the counteracting force from the vibration absorber and the vibration amplitude can then be derived for the comparison of their counteracting forces to the primary system. The major advantage of using the proposed method is that different designs of vibration absorber can be analysed separately from the primary system and therefore the dynamics characteristics of different designs of vibration absorber can be compared efficiently.

Predicting Early Bulbar Decline in Amyotrophic Lateral Sclerosis: A Speech Subsystem Approach.

Purpose. To develop a predictive model of speech loss in persons with amyotrophic lateral sclerosis (ALS) based on measures of respiratory, phonatory, articulatory, and resonatory functions that were selected using a data-mining approach. Method. Physiologic speech subsystem (respiratory, phonatory, articulatory, and resonatory) functions were evaluated longitudinally in 66 individuals with ALS using multiple instrumentation approaches including acoustic, aerodynamic, nasometeric, and kinematic. The instrumental measures of the subsystem functions were subjected to a principal component analysis and linear mixed effects models to derive a set of comprehensive predictors of bulbar dysfunction. These subsystem predictors were subjected to a Kaplan-Meier analysis to estimate the time until speech loss. Results. For a majority of participants, speech subsystem decline was detectible prior to declines in speech intelligibility and speaking rate. Among all subsystems, the articulatory and phonatory predictors were most responsive to early bulbar deterioration; and the resonatory and respiratory predictors were as responsive to bulbar decline as was speaking rate. Conclusions. The articulatory and phonatory predictors are sensitive indicators of early bulbar decline due to ALS, which has implications for predicting disease onset and progression and clinical management of ALS.

Nonlinear data-driven computational models for response prediction and change detection

Summary Data are used from three relatively large-scale experimental soil-foundation-superstructure interaction (SFSI) systems to develop reduced-order computational models for response prediction and change-detection relevant to structural health monitoring and computational mechanics. The three systems under consideration consist of identical superstructures with: (i) fixed base; (ii) box foundation; and (iii) pile foundation. The three SFSI systems were developed and experimentally tested at Tongji University. In the first part of the study, a computational time-marching prediction framework is proposed by incorporating trained neural network(s) within an ordinary differential equation solver and dynamically predicting the response (i.e., displacement and velocity) of the SFSI systems to various earthquake excitations. Two approaches are investigated: global approach and subsystem approach. Both approaches are tested and validated with linear and nonlinear systems, and their respective pros and cons are discussed. In the second part of the study, the trained neural networks from the global approach are further used for change-detection in the SFSI systems. The detected changes in the systems are then quantified through a measure of a normalized error index. Challenges related to the physical interpretation of the quantified changes in the SFSI systems are addressed and discussed. It is shown that the general procedures adopted in this paper provide a robust nonlinear model that is reliable for computational studies, as well as furnishing a robust tool for detecting and quantifying inherent change in the system. Copyright © 2014 John Wiley & Sons, Ltd.

Decomposition of sectoral greenhouse gas emissions: a subsystem input-output model for the Republic of Ireland

The analysis of gas emissions by an input-output subsystem approach provides detailed insights into pollution generation in an economy, by revealing the channels by which the environmental burdens are caused and transmitted throughout the production system. In this paper we propose a decomposition of the greenhouse gas emissions by using an input-output subsystems model. The empirical application is for the Irish economy, and the economic and environmental data are for the year 2005. Our results show that large asymmetries exist not only in the quantitative contribution of the different activities to greenhouse gas emissions, but also in the decomposed effects of this contribution.

Unified Controller Design for Two-Stage Converter Based on Feed-Forward Compensation

A unified control structure for two-stage power converter system (PCS) is proposed which incorporates both charging and discharging modes within the same controller. Detailed modeling process is presented using sub-system approach. Power feed-forward compensation with direct battery current reference is engaged to enable fast response to power change on battery side, thus reducing DC bus voltage fluctuation during transients. Simulation and experiments show that the proposed control structure can effectively improve dynamic response without compromising steady-state performance.

The extended CC2 model ECC2

We present a size-extensive extension to the CC2 model that avoids the complications with quasi-degeneracies that are present in the CC2 model and related perturbation theory-based approaches. The formulation also provides a consistent model for treating different parts of a molecular system at different levels of electron correlation. Such a subsystem approach leads to large reductions in the computational requirements without compromising the accuracy. In this initial study, we focus on static molecular properties.

The electronic spectrum of CUONg4 (Ng = Ne, Ar, Kr, Xe): New insights in the interaction of the CUO molecule with noble gas matrices

The electronic spectrum of the CUO molecule was investigated with the IHFSCC-SD (intermediate Hamiltonian Fock-space coupled cluster with singles and doubles) method and with TD-DFT (time-dependent density functional theory) employing the PBE and PBE0 exchange-correlation functionals. The importance of both spin-orbit coupling and correlation effects on the low-lying excited-states of this molecule are analyzed and discussed. Noble gas matrix effects on the energy ordering and vibrational frequencies of the lowest electronic states of the CUO molecule were investigated with density functional theory (DFT) and TD-DFT in a supermolecular as well as a frozen density embedding (FDE) subsystem approach. This data is used to test the suitability of the FDE approach to model the influence of different matrices on the vertical electronic transitions of this molecule. The most suitable potential was chosen to perform relativistic wave function theory in density functional theory calculations to study the vertical electronic spectra of the CUO and CUONg(4) with the IHFSCC-SD method.

Structural decomposition analysis and input–output subsystems: Changes in CO 2 emissions of Spanish service sectors (2000–2005)

The analysis of gas emissions by an input–output subsystem approach provides detailed insight into pollution generation in an economy. Structural decomposition analysis, on the other hand, identifies the factors behind the changes in key variables over time. Extending the input–output subsystem model to account for the changes in these variables reveals the channels by which environmental burdens are caused and transmitted throughout the production system. In this paper we propose a decomposition of the changes in the components of CO 2 emissions captured by an input–output subsystems representation. The empirical application is for the Spanish service sector, and the economic and environmental data are for years 2000 and 2005. Our results show that services increased their CO 2 emissions mainly because of a rise in the emissions generated by non-services to cover the final demand for services. The decomposed effects show a decrease in CO 2 emissions due to technological changes between 2000 and 2005 compensated by an increase in emissions caused by the rise in final demand of services. Finally, large asymmetries exist not only in the quantitative changes in the CO 2 emissions of the various services but also in the decomposed effects of these changes.

Estimation of interfacial forces in time domain for linear systems

A structural path rank ordering process under transient excitations requires a good knowledge of the interfacial path forces, which are difficult to directly measure. Four time domain methods to estimate the interfacial forces are proposed and comparatively evaluated with application to linear time-invariant, proportionally damped discrete systems. First, the transient response is derived by modal analysis and a direct time domain technique to calculate the interfacial forces is outlined. Next, the frequency domain estimation methods, based on the sub-system concept are reviewed, and an inverse Fourier transform scheme is introduced. An indirect method of estimating interfacial force in transient state is then developed through an inverse procedure of modal analysis. The sub-system approach is employed to obtain the interfacial forces based on the forced vibration response of the original system and modal data of the sub-system. Finally, an approximate time domain scheme is suggested that could be used only if the system properties are known or precisely estimated. Although the proposed indirect methods are designed for eventual experimental applications, this article provides numerical feasibility studies via a simple source–path–receiver system (with parallel vibration paths) that has five translational degrees of freedom. The proposed methods are compared under ideal impulse force excitation input and a periodic sawtooth load (without and with Gaussian noise) to observe the starting transients as well as subsequent motions and interfacial forces. Preliminary comparisons with a laboratory experiment are very promising.