Synfuels and the energy transition

NASA Astrophysics Data System (ADS)

Balzhiser, R. E.

1981-08-01

Various synfuel options and their impact on the electric utility industry are discussed. The energy transition for the U.S.A. is seen as moving from natural fluid fuels to solid fuels and renewable energy resources. The key to this transition is electrification, which can encompass both nuclear and renewable resources, centralized and dispersed technologies. It is shown that the fraction of total energy converted to electricity has risen steadily for the past 30 years, reaching 33% last year. The abundance and cost of production of the various fossil energy resources, including natural gas, heavy oil, oil shale, and coal are considered. EPRI analyses indicate that an integrated-combined-cycle power plant could be competitive with conventional coal plant technology. These plants would use only half the water of current coal-fired plants, would meet tighter sulfur emission standards, and would produce a vitreous ash that is less leachable than the ash from today's coal plants. Solvent-refined coal processes, currently being developed in the U.S.A. are a second approach to converting coal to liquid fuels. It is pointed out, however, that synfuels will complement, not replace, other sources of energy in the continued electrification of the U.S.A.

Specific Barriers and Drivers in Different Stages of Decision-Making about Energy Efficiency Upgrades in Private Homes

PubMed Central

Klöckner, Christian A.; Nayum, Alim

2016-01-01

Energy efficiency upgrades of privately owned homes like adding to the insulation layers in the walls, roof or floor, or replacing windows with more efficiently insulated versions can contribute significantly to reducing the energy impact of the building sector and thus also the CO2 footprint of a household. However, even in countries like Norway that have a rather high rate of renovation, energy upgrades are not always integrated into such a refurbishment project. This study tests which structural and internal psychological barriers hinder and which drivers foster decision-making to implement such measures, once a renovation project is planned. With a theoretical background in stage-based models of decision-making 24 barriers and drivers were tested for their specific effect in the stages of decision-making. The four stages of decision-making assumed in this study were (1) “not being in a decision mode,” (2) “deciding what to do,” (3) “deciding how to do it,” and (4) “planning implementation.” Based on an online survey of 3787 Norwegian households, it was found that the most important barriers toward deciding to implement energy efficiency upgrades were not owning the dwelling and feeling the right time had not come yet. The most important drivers of starting to decide were higher expected comfort levels, better expected living conditions, and an expected reduction of energy costs. For the transition from deciding what to do to how to do it, not managing to make a decision and feeling the right point in time has not come yet were the strongest barriers, easily accessible information and an expected reduction of energy costs were the most important drivers. The final transition from deciding how to do the upgrades to planning implementation was driven by expecting a payoff within a reasonable time frame and higher expected comfort levels; the most important barriers were time demands for supervising contractors and—again—a feeling that the right

Specific Barriers and Drivers in Different Stages of Decision-Making about Energy Efficiency Upgrades in Private Homes.

PubMed

Klöckner, Christian A; Nayum, Alim

2016-01-01

Energy efficiency upgrades of privately owned homes like adding to the insulation layers in the walls, roof or floor, or replacing windows with more efficiently insulated versions can contribute significantly to reducing the energy impact of the building sector and thus also the CO2 footprint of a household. However, even in countries like Norway that have a rather high rate of renovation, energy upgrades are not always integrated into such a refurbishment project. This study tests which structural and internal psychological barriers hinder and which drivers foster decision-making to implement such measures, once a renovation project is planned. With a theoretical background in stage-based models of decision-making 24 barriers and drivers were tested for their specific effect in the stages of decision-making. The four stages of decision-making assumed in this study were (1) "not being in a decision mode," (2) "deciding what to do," (3) "deciding how to do it," and (4) "planning implementation." Based on an online survey of 3787 Norwegian households, it was found that the most important barriers toward deciding to implement energy efficiency upgrades were not owning the dwelling and feeling the right time had not come yet. The most important drivers of starting to decide were higher expected comfort levels, better expected living conditions, and an expected reduction of energy costs. For the transition from deciding what to do to how to do it, not managing to make a decision and feeling the right point in time has not come yet were the strongest barriers, easily accessible information and an expected reduction of energy costs were the most important drivers. The final transition from deciding how to do the upgrades to planning implementation was driven by expecting a payoff within a reasonable time frame and higher expected comfort levels; the most important barriers were time demands for supervising contractors and-again-a feeling that the right point in time has

[Relationships between settlement morphology transition and residents commuting energy consumption].

PubMed

Zhou, Jian; Xiao, Rong-Bo; Sun, Xiang

2013-07-01

Settlement morphology transition is triggered by rapid urbanization and urban expansion, but its relationships with residents commuting energy consumption remains ambiguous. It is of significance to understand the controlling mechanisms of sustainable public management policies on the energy consumption and greenhouse gases emission during the process of urban settlement morphology transition. Taking the Xiamen City of East China as a case, and by using the integrated land use and transportation modeling system TRANUS, a scenario analysis was made to study the effects of urban settlement morphology transition on the urban spatial distribution of population, jobs, and land use, and on the residents commuting energy consumption and greenhouse gasses emission under different scenarios. The results showed that under the Business As Usual (BAU) scenario, the energy consumption of the residents at the morning peak travel time was 54.35 tce, and the CO2 emission was 119.12 t. As compared with those under BAU scenario, both the energy consumption and the CO2 emission under the Transition of Settlement Morphology (TSM) scenario increased by 12%, and, with the implementation of the appropriate policies such as land use, transportation, and economy, the energy consumption and CO2 emission under the Transition of Settlement Morphology with Policies (TSMP) scenario reduced by 7%, indicating that urban public management policies could effectively control the growth of residents commuting energy consumption and greenhouse gases emission during the period of urban settlement morphology transition.

Energy savings opportunities in the global digital television transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Won Young; Gopal, Anand; Phadke, Amol

Globally, terrestrial television (TV) broadcasting is in the midst of a complete transition to digital signals. The last analog terrestrial broadcast is expected to be switched off in the early 2020s. This transition presents huge energy savings opportunities that have thus far been ignored. Digital TV switchovers have likely increased energy consumption as countries have completed transitions by providing digital TV converters to analog TV users, which increase energy consumption and extend the life of energy-inefficient analog TVs. We find that if analog TVs were retired at the time of a digital switchover and replaced with super-efficient flat-panel TVs, suchmore » as light-emitting diode (LED) backlit liquid crystal display (LCD) TVs, there is a combined electricity savings potential of 32 terawatt hours [TWh] per year in countries that have not yet completed their digital TV transition. In view of these findings as well as the dramatic drops of super-efficient TV prices and the unique early-retirement opportunity resulting from cessation of terrestrial analog broadcasts, TV-exchange programs would easily and substantially advance energy efficiency.« less

Energy savings opportunities in the global digital television transition

DOE PAGES

Park, Won Young; Gopal, Anand; Phadke, Amol

2016-12-20

Globally, terrestrial television (TV) broadcasting is in the midst of a complete transition to digital signals. The last analog terrestrial broadcast is expected to be switched off in the early 2020s. This transition presents huge energy savings opportunities that have thus far been ignored. Digital TV switchovers have likely increased energy consumption as countries have completed transitions by providing digital TV converters to analog TV users, which increase energy consumption and extend the life of energy-inefficient analog TVs. We find that if analog TVs were retired at the time of a digital switchover and replaced with super-efficient flat-panel TVs, suchmore » as light-emitting diode (LED) backlit liquid crystal display (LCD) TVs, there is a combined electricity savings potential of 32 terawatt hours [TWh] per year in countries that have not yet completed their digital TV transition. In view of these findings as well as the dramatic drops of super-efficient TV prices and the unique early-retirement opportunity resulting from cessation of terrestrial analog broadcasts, TV-exchange programs would easily and substantially advance energy efficiency.« less

Local energy governance in vermont: an analysis of energy system transition strategies and actor capacity

NASA Astrophysics Data System (ADS)

Rowse, Tarah

While global, national, and regional efforts to address climate and energy challenges remain essential, local governments and community groups are playing an increasingly stronger and vital role. As an active state in energy system policy, planning and innovation, Vermont offers a testing ground for research into energy governance at the local level. A baseline understanding of the energy planning and energy organizing activities initiated at the local level can support efforts to foster a transition to a sustainable energy system in Vermont. Following an inductive, applied and participatory approach, and grounded in the fields of sustainability transitions, energy planning, and community energy, this research project identifies conditions for change, including opportunities and challenges, within Vermont energy system decision-making and governance at the local level. The following questions are posed: What are the main opportunities and challenges for sustainable energy development at the town level? How are towns approaching energy planning? What are the triggers that will facilitate a faster transition to alternative energy systems, energy efficiency initiatives, and localized approaches? In an effort to answer these questions two studies were conducted: 1) an analysis of municipal energy plans, and 2) a survey of local energy actors. Study 1 examined Vermont energy planning at the state and local level through a review and comparison of 40 municipal plan energy chapters with the state 2011 Comprehensive Energy Plan. On average, municipal plans mentioned just over half of the 24 high-level strategies identified in the Comprehensive Energy Plan. Areas of strong and weak agreement were examined. Increased state and regional interaction with municipal energy planners would support more holistic and coordinated energy planning. The study concludes that while municipalities are keenly aware of the importance of education and partnerships, stronger policy mechanisms

Consolidation of hydrophobic transition criteria by using an approximate energy minimization approach.

PubMed

Patankar, Neelesh A

2010-06-01

Recent experimental work has successfully revealed pressure induced transition from Cassie to Wenzel state on rough hydrophobic substrates. Formulas, based on geometric considerations and imposed pressure, have been developed as transition criteria. In the past, transition has also been considered as a process of overcoming the energy barrier between the Cassie and Wenzel states. A unified understanding of the various considerations of transition has not been apparent. To address this issue, in this work, we consolidate the transition criteria with a homogenized energy minimization approach. This approach decouples the problem of minimizing the energy to wet the rough substrate, from the energy of the macroscopic drop. It is seen that the transition from Cassie to Wenzel state, due to depinning of the liquid-air interface, emerges from the approximate energy minimization approach if the pressure-volume energy associated with the impaled liquid in the roughness is included. This transition can be viewed as a process in which the work done by the pressure force is greater than the barrier due to the surface energy associated with wetting the roughness. It is argued that another transition mechanism, due to a sagging liquid-air interface that touches the bottom of the roughness grooves, is not typically relevant if the substrate roughness is designed such that the Cassie state is at lower energy compared to the Wenzel state.

Planning and Decision Making for Care Transitions

PubMed Central

Sörensen, Silvia; Mak, Wingyun; Pinquart, Martin

2015-01-01

The need to plan for future health care and residential adjustments increases with age, growing frailty, and restrictions in coverage of long-term care and will continue to grow with population aging. Older adults’ lack of financial preparation for health care costs, insufficient knowledge about available options, and inadequate communication about care-related values has become an increasing public health challenge. This chapter describes a model of Preparation for Future Care (PFC), which encompasses different levels and domains of planning. Research about the extent to which planning is helpful in navigating care transitions is reviewed, and barriers and facilitators of planning including individual, familial, cultural, and national long-term care policy factors are discussed. Planning in the context of dementia and practical approaches that can be taken to enhance PFC is addressed, as well as recommendations for future research in the area of planning and decision making in the context of care transitions. PMID:26207079

Energy management during the space shuttle transition

NASA Technical Reports Server (NTRS)

Stengel, R. F.

1972-01-01

An approach to calculating optimal, gliding flight paths of the type associated with the space shuttle's transition from entry to cruising flight is presented. Kinetic energy and total energy (per unit weight) replace velocity and time in the dynamic equations, reducing the dimension and complexity of the problem. The capability for treating integral and terminal penalties (as well as Mach number effects) is retained in the numerical optimization; hence, stability and control boundaries can be observed as trajectories to the desired final energy, flight path angle, and range are determined. Numerical results show that the jump to the front-side of the L/D curve need not be made until the end of the transition and that the dynamic model provides a conservative range estimate. Alternatives for real time trajectory control are discussed.

Implications of net energy-return-on-investment for a low-carbon energy transition

NASA Astrophysics Data System (ADS)

King, Lewis C.; van den Bergh, Jeroen C. J. M.

2018-04-01

Low-carbon energy transitions aim to stay within a carbon budget that limits potential climate change to 2 °C—or well below—through a substantial growth in renewable energy sources alongside improved energy efficiency and carbon capture and storage. Current scenarios tend to overlook their low net energy returns compared to the existing fossil fuel infrastructure. Correcting from gross to net energy, we show that a low-carbon transition would probably lead to a 24-31% decline in net energy per capita by 2050, which implies a strong reversal of the recent rising trends of 0.5% per annum. Unless vast end-use efficiency savings can be achieved in the coming decades, current lifestyles might be impaired. To maintain the present net energy returns, solar and wind renewable power sources should grow two to three times faster than in other proposals. We suggest a new indicator, `energy return on carbon', to assist in maximizing the net energy from the remaining carbon budget.

Understanding the human dimensions of a sustainable energy transition.

PubMed

Steg, Linda; Perlaviciute, Goda; van der Werff, Ellen

2015-01-01

Global climate change threatens the health, economic prospects, and basic food and water sources of people. A wide range of changes in household energy behavior is needed to realize a sustainable energy transition. We propose a general framework to understand and encourage sustainable energy behaviors, comprising four key issues. First, we need to identify which behaviors need to be changed. A sustainable energy transition involves changes in a wide range of energy behaviors, including the adoption of sustainable energy sources and energy-efficient technology, investments in energy efficiency measures in buildings, and changes in direct and indirect energy use behavior. Second, we need to understand which factors underlie these different types of sustainable energy behaviors. We discuss three main factors that influence sustainable energy behaviors: knowledge, motivations, and contextual factors. Third, we need to test the effects of interventions aimed to promote sustainable energy behaviors. Interventions can be aimed at changing the actual costs and benefits of behavior, or at changing people's perceptions and evaluations of different costs and benefits of behavioral options. Fourth, it is important to understand which factors affect the acceptability of energy policies and energy systems changes. We discuss important findings from psychological studies on these four topics, and propose a research agenda to further explore these topics. We emphasize the need of an integrated approach in studying the human dimensions of a sustainable energy transition that increases our understanding of which general factors affect a wide range of energy behaviors as well as the acceptability of different energy policies and energy system changes.

Understanding the human dimensions of a sustainable energy transition

PubMed Central

Steg, Linda; Perlaviciute, Goda; van der Werff, Ellen

2015-01-01

Global climate change threatens the health, economic prospects, and basic food and water sources of people. A wide range of changes in household energy behavior is needed to realize a sustainable energy transition. We propose a general framework to understand and encourage sustainable energy behaviors, comprising four key issues. First, we need to identify which behaviors need to be changed. A sustainable energy transition involves changes in a wide range of energy behaviors, including the adoption of sustainable energy sources and energy-efficient technology, investments in energy efficiency measures in buildings, and changes in direct and indirect energy use behavior. Second, we need to understand which factors underlie these different types of sustainable energy behaviors. We discuss three main factors that influence sustainable energy behaviors: knowledge, motivations, and contextual factors. Third, we need to test the effects of interventions aimed to promote sustainable energy behaviors. Interventions can be aimed at changing the actual costs and benefits of behavior, or at changing people’s perceptions and evaluations of different costs and benefits of behavioral options. Fourth, it is important to understand which factors affect the acceptability of energy policies and energy systems changes. We discuss important findings from psychological studies on these four topics, and propose a research agenda to further explore these topics. We emphasize the need of an integrated approach in studying the human dimensions of a sustainable energy transition that increases our understanding of which general factors affect a wide range of energy behaviors as well as the acceptability of different energy policies and energy system changes. PMID:26136705

Photoinduced energy transfer in transition metal complex oligomers

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1997-04-01

The work we have done over the past three years has been directed toward the preparation, characterization and photophysical examination of mono- and bimetallic diimine complexes. The work is part of a broader project directed toward the development of stable, efficient, light harvesting arrays of transition metal complex chromophores. One focus has been the synthesis of rigid bis-bidentate and bis-tridentate bridging ligands. We have managed to make the ligand bphb in multigram quantities from inexpensive starting materials. The synthetic approach used has allowed us prepare a variety of other ligands which may have unique applications (vide infra). We have prepared,more » characterized and examined the photophysical behavior of Ru(II) and Re(I) complexes of the ligands. Energy donor/acceptor complexes of bphb have been prepared which exhibit nearly activationless energy transfer. Complexes of Ru(II) and Re(I) have also been prepared with other polyunsaturated ligands in which two different long lived ( > 50 ns) excited states exist; results of luminescence and transient absorbance measurements suggest the two states are metal-to-ligand charge transfer and ligand localized {pi}{r_arrow}{pi}* triplets. Finally, we have developed methods to prepare polymetallic complexes which are covalently bound to various surfaces. The long term objective of this work is to make light harvesting arrays for the sensitization of large band gap semiconductors. Details of this work are provided in the body of the report.« less

Photoinduced energy transfer in transition metal complex oligomers

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1997-06-01

The work done over the past three years has been directed toward the preparation, characterization and photophysical examination of mono- and bimetallic diimine complexes. The work is part of a broader project directed toward the development of stable, efficient, light harvesting arrays of transition metal complex chromophores. One focus has been the synthesis of rigid bis-bidentate and bis-tridentate bridging ligands. The authors have managed to make the ligand bphb in multigram quantities from inexpensive starting materials. The synthetic approach used has allowed them to prepare a variety of other ligands which may have unique applications (vide infra). They have prepared,more » characterized and examined the photophysical behavior of Ru(II) and Re(I) complexes of the ligands. Energy donor/acceptor complexes of bphb have been prepared which exhibit nearly activationless energy transfer. Complexes of Ru(II) and Re(I) have also been prepared with other polyunsaturated ligands in which two different long lived (> 50 ns) excited states exist; results of luminescence and transient absorbance measurements suggest the two states are metal-to-ligand charge transfer and ligand localized {pi}{r_arrow}{pi}* triplets. Finally, the authors have developed methods to prepare polymetallic complexes which are covalently bound to various surfaces. The long term objective of this work is to make light harvesting arrays for the sensitization of large band gap semiconductors. Details of this work are provided in the body of the report.« less

Energy balance in the solar transition region. II - Effects of pressure and energy input on hydrostatic models

NASA Technical Reports Server (NTRS)

Fontenla, J. M.; Avrett, E. H.; Loeser, R.

1991-01-01

The radiation of energy by hydrogen lines and continua in hydrostatic energy-balance models of the transition region between the solar chromosphere and corona is studied using models which assume that mechanical or magnetic energy is dissipated in the hot corona and is then transported toward the chromosphere down the steep temperature gradient of the transition region. These models explain the average quiet sun and also the entire range of variability of the Ly-alpha lines. The relations between the downward energy flux, the pressure of the transition region, and the different hydrogen emission are described.

Serious simulation game development for energy transition education using integrated framework game design

NASA Astrophysics Data System (ADS)

Destyanto, A. R.; Putri, O. A.; Hidayatno, A.

2017-11-01

Due to the advantages that serious simulation game offered, many areas of studies, including energy, have used serious simulation games as their instruments. However, serious simulation games in the field of energy transition still have few attentions. In this study, serious simulation game is developed and tested as the activity of public education about energy transition which is a conversion from oil to natural gas program. The aim of the game development is to create understanding and awareness about the importance of energy transition for society in accelerating the process of energy transition in Indonesia since 1987 the energy transition program has not achieved the conversion target yet due to the lack of education about energy transition for society. Developed as a digital serious simulation game following the framework of integrated game design, the Transergy game has been tested to 15 users and then analysed. The result of verification and validation of the game shows that Transergy gives significance to the users for understanding and triggering the needs of oil to natural gas conversion.

Theoretical potential for low energy consumption phase change memory utilizing electrostatically-induced structural phase transitions in 2D materials

NASA Astrophysics Data System (ADS)

Rehn, Daniel A.; Li, Yao; Pop, Eric; Reed, Evan J.

2018-01-01

Structural phase-change materials are of great importance for applications in information storage devices. Thermally driven structural phase transitions are employed in phase-change memory to achieve lower programming voltages and potentially lower energy consumption than mainstream nonvolatile memory technologies. However, the waste heat generated by such thermal mechanisms is often not optimized, and could present a limiting factor to widespread use. The potential for electrostatically driven structural phase transitions has recently been predicted and subsequently reported in some two-dimensional materials, providing an athermal mechanism to dynamically control properties of these materials in a nonvolatile fashion while achieving potentially lower energy consumption. In this work, we employ DFT-based calculations to make theoretical comparisons of the energy required to drive electrostatically-induced and thermally-induced phase transitions. Determining theoretical limits in monolayer MoTe2 and thin films of Ge2Sb2Te5, we find that the energy consumption per unit volume of the electrostatically driven phase transition in monolayer MoTe2 at room temperature is 9% of the adiabatic lower limit of the thermally driven phase transition in Ge2Sb2Te5. Furthermore, experimentally reported phase change energy consumption of Ge2Sb2Te5 is 100-10,000 times larger than the adiabatic lower limit due to waste heat flow out of the material, leaving the possibility for energy consumption in monolayer MoTe2-based devices to be orders of magnitude smaller than Ge2Sb2Te5-based devices.

Trends in Ionization Energy of Transition-Metal Elements

ERIC Educational Resources Information Center

Matsumoto, Paul S.

2005-01-01

A rationale for the difference in the periodic trends in the ionization energy of the transition-metal elements versus the main-group elements is presented. The difference is that in the transition-metal elements, the electrons enter an inner-shell electron orbital, while in the main-group elements, the electrons enter an outer-shell electron…

Helping Prepare Community College Students to Make the Transition from College to Work

ERIC Educational Resources Information Center

Bradley, Lagena Arlette

2010-01-01

The purpose of the study was to investigate students' perceptions about the need for more student training on making the transition from community college enrollment to employment. The hypothesis was that community college students would perceive that additional career counseling services would help them transition successfully into the world of…

scEpath: Energy landscape-based inference of transition probabilities and cellular trajectories from single-cell transcriptomic data.

PubMed

Jin, Suoqin; MacLean, Adam L; Peng, Tao; Nie, Qing

2018-02-05

Single-cell RNA-sequencing (scRNA-seq) offers unprecedented resolution for studying cellular decision-making processes. Robust inference of cell state transition paths and probabilities is an important yet challenging step in the analysis of these data. Here we present scEpath, an algorithm that calculates energy landscapes and probabilistic directed graphs in order to reconstruct developmental trajectories. We quantify the energy landscape using "single-cell energy" and distance-based measures, and find that the combination of these enables robust inference of the transition probabilities and lineage relationships between cell states. We also identify marker genes and gene expression patterns associated with cell state transitions. Our approach produces pseudotemporal orderings that are - in combination - more robust and accurate than current methods, and offers higher resolution dynamics of the cell state transitions, leading to new insight into key transition events during differentiation and development. Moreover, scEpath is robust to variation in the size of the input gene set, and is broadly unsupervised, requiring few parameters to be set by the user. Applications of scEpath led to the identification of a cell-cell communication network implicated in early human embryo development, and novel transcription factors important for myoblast differentiation. scEpath allows us to identify common and specific temporal dynamics and transcriptional factor programs along branched lineages, as well as the transition probabilities that control cell fates. A MATLAB package of scEpath is available at https://github.com/sqjin/scEpath. qnie@uci.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2018. Published by Oxford University Press.

Transition through co-optation: Harnessing carbon democracy for clean energy

NASA Astrophysics Data System (ADS)

Meng, Kathryn-Louise

This dissertation explores barriers to a clean energy transition in the United States. Clean energy is demonstrably viable, yet the pace of clean energy adoption in the U.S. is slow, particularly given the immediate threat of global climate change. The purpose of this dissertation is to examine the factors inhibiting a domestic energy transition and to propose pragmatic approaches to catalyzing a transition. The first article examines the current political-economic and socio-technical energy landscape in the U.S. Fossil fuels are central to the functioning of the American economy. Given this centrality, constellations of power have been constructed around the reliable and affordable access of fossil fuels. The fossil fuel energy regime is comprised of: political-economic networks with vested interests in continued fossil fuel reliance, and fixed infrastructure that is minimally compatible with distributed generation. A transition to clean energy threatens the profitability of fossil fuel regime actors. Harnessing structural critiques from political ecology and process and function-oriented socio-technical systems frameworks, I present a multi-level approach to identifying pragmatic means to catalyzing an energy transition. High-level solutions confront the existing structure, mid-level solutions harness synergy with the existing structure, and low-level solutions lie outside of the energy system or foster the TIS. This is exemplified using a case study of solar development in Massachusetts. Article two presents a case study of the clean energy technological innovation system (TIS) in Massachusetts. I examine the actors and institutions that support cleantech development. Further, I scrutinize the actors and institutions that help sustain the TIS support system. The concept of a catalyst is presented; a catalyst is an actor that serves to propel TIS functions. Catalysts are critical to facilitating anchoring. Strategic corporate partners are identified as powerful

Altitude transitions in energy climbs

NASA Technical Reports Server (NTRS)

Weston, A. R.; Cliff, E. M.; Kelley, H. J.

1982-01-01

The aircraft energy-climb trajectory for configurations with a sharp transonic drag rise is well known to possess two branches in the altitude/Mach-number plane. Transition in altitude between the two branches occurs instantaneously, a 'corner' in the minimum-time solution obtained with the energy-state model. If the initial and final values of altitude do not lie on the energy-climb trajectory, then additional jumps (crude approximations to dives and zooms) are required at the initial and terminal points. With a singular-perturbation approach, a 'boundary-layer' correction is obtained for each altitude jump, the transonic jump being a so-called 'internal' boundary layer, different in character from the initial and terminal layers. The determination of this internal boundary layer is examined and some computational results for an example presented.

The multi-level perspective analysis: Indonesia geothermal energy transition study

NASA Astrophysics Data System (ADS)

Wisaksono, A.; Murphy, J.; Sharp, J. H.; Younger, P. L.

2018-01-01

The study adopts a multi-level perspective in technology transition to analyse how the transition process in the development of geothermal energy in Indonesia is able to compete against the incumbent fossil-fuelled energy sources. Three levels of multi-level perspective are socio-technical landscape (ST-landscape), socio-technical regime (ST-regime) and niche innovations in Indonesia geothermal development. The identification, mapping and analysis of the dynamic relationship between each level are the important pillars of the multi-level perspective framework. The analysis considers the set of rules, actors and controversies that may arise in the technological transition process. The identified geothermal resource risks are the basis of the emerging geothermal technological innovations in Indonesian geothermal. The analysis of this study reveals the transition pathway, which yields a forecast for the Indonesian geothermal technology transition in the form of scenarios and probable impacts.

Energy harvesting from localized dynamic transitions in post-buckled elastic beams under quasi-static loading

NASA Astrophysics Data System (ADS)

Borchani, Wassim

The deployability of structural health monitoring self-powered sensors relies on their capability to harvest energy from signals being monitored. Many of the signals required to assess the structure condition are quasi-static events which limits the levels of power that can be extracted. Several vibration-based techniques have been proposed to increase the transferred level of power and broaden the harvester operating bandwidth. However, these techniques require vibration input excitations at frequencies higher than dominant structural response frequencies which makes them inefficient and not suitable for ambient quasi-static excitations. This research proposes a novel sensing and energy harvesting technique at low frequencies using mechanical energy concentrators and triggers. These mechanisms consist of axially-loaded bilaterally-constrained beams with attached piezoelectric energy harvesters. When the quasi-static axial load reaches a certain mechanical threshold, a sudden snap-through mode-switching occurs. These transitions excite the attached piezoelectric scavengers with high-rate input accelerations, generating then electric power. The main objectives are to understand and model the post-buckling behavior of bilaterally-constrained beams, control it by tailoring geometry and material properties of the buckled elements or stacking them into system assemblies, and finally characterize the energy harvesting and sensing capability of the system under quasi-static excitations. The fundamental principle relies on the following concept. Under axial load, a straight slender beam buckles in the first buckling mode. The increased transverse deformations from a buckled shape lead to contact interaction with the lateral boundaries. The contact interaction generates transverse forces that induce the development of higher order buckling configurations. Transitions between the buckled configurations occur not only during loading, but also unloading. In this work, the post

Thouless energy and multifractality across the many-body localization transition

NASA Astrophysics Data System (ADS)

Serbyn, Maksym; Papić, Z.; Abanin, Dmitry A.

2017-09-01

Thermal and many-body localized phases are separated by a dynamical phase transition of a new kind. We analyze the distribution of off-diagonal matrix elements of local operators across this transition in two different models of disordered spin chains. We show that the behavior of matrix elements can be used to characterize the breakdown of thermalization and to extract the many-body Thouless energy. We find that upon increasing the disorder strength the system enters a critical region around the many-body localization transition. The properties of the system in this region are: (i) the Thouless energy becomes smaller than the level spacing, (ii) the matrix elements show critical dependence on the energy difference, and (iii) the matrix elements, viewed as amplitudes of a fictitious wave function, exhibit strong multifractality. This critical region decreases with the system size, which we interpret as evidence for a diverging correlation length at the many-body localization transition. Our findings show that the correlation length becomes larger than the accessible system sizes in a broad range of disorder strength values and shed light on the critical behavior near the many-body localization transition.

Energy transition in transport sector from energy substitution perspective

NASA Astrophysics Data System (ADS)

Sun, Wangmin; Yang, Xiaoguang; Han, Song; Sun, Xiaoyang

2017-10-01

Power and heating generation sector and transport sector contribute a highest GHG emissions and even air pollutions. This paper seeks to investigate life cycle costs and emissions in both the power sector and transport sector, and evaluate the cost-emission efficient (costs for one unit GHG emissions) of the substitution between new energy vehicles and conventional gasoline based vehicles under two electricity mix scenarios. In power sector, wind power and PV power will be cost comparative in 2030 forecasted with learning curve method. With high subsidies, new energy cars could be comparative now, but it still has high costs to lower GHG emissions. When the government subsidy policy is reversible, the emission reduction cost for new energy vehicle consumer will be 900/ton. According to the sensitive analysis, the paper suggests that the government implement policies that allocate the cost to the whole life cycle of energy production and consumption related to transport sector energy transition and policies that are in favor of new energy vehicle consumers but not the new energy car producers.

'Making the move': relatives' experiences of the transition to a care home.

PubMed

Davies, Sue; Nolan, Mike

2004-11-01

Despite a growing awareness of the significance of helping a relative to relocate to a care home as a key phase in the caregiving career, relatively few studies in the UK have explored this experience in depth. The research on which the present paper is based sought to better understand experiences of nursing home placement from the viewpoint of relatives. The study was informed by a constructivist perspective. Data were collected in 37 semi-structured interviews involving 48 people who had assisted a close relative to move into a nursing home. Data analysis revealed three phases of the transition from the relatives' perspective: 'making the best of it'; 'making the move'; and 'making it better'. The relatives' experiences across these phases were understood in terms of five continua, reflecting the extent to which they felt they were: operating 'under pressure' or not; 'working together' or 'working alone'; 'supported' or 'unsupported', both practically and emotionally; 'in the know' or 'working in the dark'; and 'in control of events' or not. This paper reports on the findings which relate to the second phase of the transition, 'making the move', which relates to experiences around the time of relocation to the care home environment. The findings suggest that health and social care practitioners have enormous potential to influence relatives' experiences of nursing home entry. Experiences are enhanced if family carers perceive that they are able to work in partnership with care staff in order to ease the transition for the older person.

District Making "Transition" to Bigger Supply of Schools of Choice

ERIC Educational Resources Information Center

Olson, Lynn

2005-01-01

This article reports how Philadelphia's new, standardized curriculum is just one component of a larger agenda for secondary education. By 2008, the school system plans to make a transition from about 55 high schools, when Chief Executive Officer Paul G. Vallas took the helm in 2002, to between 70 and 80 smaller ones of choice. As part of the…

Energy and population: transitional issues and eventual limits.

PubMed

Werbos, P J

1990-08-01

The implication of population size for US energy requirements is explored in this essay. The basic argument is that the present supply of fuels and energy technologies is not sustainable in the long run, that a wide range of choices is possible when a complete transition is made to sustainable technologies, and that the growth of population and the composition of this growth during the next 30 years are the most serious problems impacting on the achievement of sustainable technology. The importance and future of fuel oil is discussed as well as the transition to sustainable energy supplies: conservation, renewables, nuclear and coal. Dependency on oil can only be changed through time and the infusion of money, but even with these givens, the transition is also dependent on the political and budgetary climate. The race is between crisis and cure. It is argued that the soft energy systems (biomass, solar water heater, wind, hydro, and geothermal energy) along with conservation will increase easily and naturally, but the total potential from these sources amounts to only 10% of the present US energy supply. Conservation offers greater hope because 80% of end-use fossil fuel is used in transportation and industry. Further growth of the population in the US would create a demand to desalinate water, which would increase the demand for energy. A totally soft energy economy is probably not feasible without a drastic reduction in US population. The expected direction is in the increased use of coal, and then nuclear energy. Unfortunately, coal contributes to greenhouse warming, and the supply is limited to 60-100 years. Nuclear proliferation and terrorism is connected to the widespread use of nuclear energy. Some breakthrough technology with cold fusion may offer a safer alternative. High technology renewables such as solar cells can be competitive with nuclear energy, if prices can be kept down. on earth or in space, are being investigated. Exploring a variety of advanced

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

NASA Astrophysics Data System (ADS)

Tian Yi, Zhang; Neng Wu, Zheng

2009-08-01

Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

The Role of Grain Boundary Energy on Grain Boundary Complexion Transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bojarski, Stephanie A.; Rohrer, Gregory S.

Grain boundary complexions are distinct equilibrium structures and compositions of a grain boundary and complexion transformations are transition from a metastable to an equilibrium complexion at a specific thermodynamic and geometric conditions. Previous work indicates that, in the case of doped alumina, a complexion transition that increased the mobility of transformed boundaries and resulted in abnormal grain growth also caused a decrease in the mean relative grain boundary energy as well as an increase in the anisotropy of the grain boundary character distribution (GBCD). The current work will investigate the hypothesis that the rates of complexion transitions that result inmore » abnormal grain growth (AGG) depend on grain boundary character and energy. Furthermore, the current work expands upon this understanding and tests the hypothesis that it is possible to control when and where a complexion transition occurs by controlling the local grain boundary energy distribution.« less

Aspects of energy transitions: History and determinants

NASA Astrophysics Data System (ADS)

O'Connor, Peter A.

Energy intensity in the U.S. from 1780 to 2010 shows a declining trend when traditional energy is included, in contrast to the "inverted U-curve" seen when only commercial energy is considered. The analysis quantifies use of human and animal muscle power, wind and water power, biomass, harvested ice, fossil fuels, and nuclear power. Historical prices are provided for many energy resources. The analysis reaffirms the importance of innovation in conversion technologies in energy transitions. An increase in energy intensity in the early 20th century is explained by diminishing returns to pre-electric manufacturing systems, which produced a transformation in manufacturing. In comparison to similar studies for other countries, the U.S. has generally higher energy intensity. A population-weighted series of heating degree days and cooling degree days partially explains differences in energy intensity. Series are developed for 231 countries and territories with multiple reference temperatures, with a "wet-bulb" series accounting for the effects of humidity. Other variables considered include energy prices, income per capita, and governance indices. A panel regression of thirty-two countries from 1995 to 2010 establishes GDP per capita and share of primary energy as determinants of energy intensity, but fails to establish statistical significance of the climate variables. A group mean regression finds average heating and cooling degree days to be significant predictors of average energy intensity over the study period, increasing energy intensity by roughly 1.5 kJ per 2005 international dollar for each annual degree day. Group mean regression results explain differences in countries' average energy intensity, but not changes within a country over time. Energy Return on Investment (EROI) influences the economic competitiveness and environmental impacts of an energy resource and is one driver of energy transitions. The EROI of U.S. petroleum production has declined since 1972

Cohesive Energies of Some Transition Metal Compounds Using Embedded Clusters

NASA Astrophysics Data System (ADS)

Press, Mehernosh Rustom

The molecular-clusters approach to electronic structure calculation is especially well-suited to the study of properties that depend primarily on the local environment of a system, especially those with no translational symmetry, e.g. systems with defects and structural deformations. The presence of the rest of the crystal environment can be accounted for approximately by embedding the cluster in a self-consistent crystal potential. This thesis makes a contribution in the area of investigating the capability of embedded molecular-clusters to yield reliable bulk structural properties. To this end, an algorithm for calculating the cohesive energies of clusters within the discrete-variational X(,(alpha)) LCAO-MO formulation is set up and verified on simple solids: Li, Na, Cu and LiF. We then use this formulation to study transition metal compounds, for which the interesting physics lies in local lattice defects, foreign impurities and structural deformations. In a self -consistent calculation of the lattice energies and stability of defect clusters in wustite, Fe(,1-x)O, corner-sharing aggregates of the 4:1 defect are identified as the most stable defect configurations due to efficient compensation of the cluster charge. The intercalation properties of layered-transition-metal-dichalcogenides continues to be a fertile experimental working area, backed by comparatively little theoretical study. We find that intercalation of ZrS(,2) with Na perturbs the valence energy level structure sufficiently to induce a more ionic Zr-S bond, a narrowing of the optical gap and filling of the lowest unoccupied host lattice orbitals with the electron donated by Na. Fe - intercalation in ZrS(,2) is accommodated via a strong Fe-S bond, impurity-like band levels in the optical gap of the host and hybridization-driven compression and lowering of the conduction band energy levels. The piezoelectric cuprous halides, CuCl and CuBr, exhibit a host of intriguing properties due to a filled and

Solar Electricity and Solar Fuels: Status and Perspectives in the Context of the Energy Transition.

PubMed

Armaroli, Nicola; Balzani, Vincenzo

2016-01-04

The energy transition from fossil fuels to renewables is already ongoing, but it will be a long and difficult process because the energy system is a gigantic and complex machine. Key renewable energy production data show the remarkable growth of solar electricity technologies and indicate that crystalline silicon photovoltaics (PV) and wind turbines are the workhorses of the first wave of renewable energy deployment on the TW scale around the globe. The other PV alternatives (e.g., copper/indium/gallium/selenide (CIGS) or CdTe), along with other less mature options, are critically analyzed. As far as fuels are concerned, the situation is significantly more complex because making chemicals with sunshine is far more complicated than generating electric current. The prime solar artificial fuel is molecular hydrogen, which is characterized by an excellent combination of chemical and physical properties. The routes to make it from solar energy (photoelectrochemical cells (PEC), dye-sensitized photoelectrochemical cells (DSPEC), PV electrolyzers) and then synthetic liquid fuels are presented, with discussion on economic aspects. The interconversion between electricity and hydrogen, two energy carriers directly produced by sunlight, will be a key tool to distribute renewable energies with the highest flexibility. The discussion takes into account two concepts that are often overlooked: the energy return on investment (EROI) and the limited availability of natural resources-particularly minerals-which are needed to manufacture energy converters and storage devices on a multi-TW scale. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Free energy landscape theory of glass transition

NASA Astrophysics Data System (ADS)

Odagaki, Takashi

2010-03-01

I first present a free energy landscape (FEL) description of statistical mechanics, which is an exact reformulation of statistical mechanics and can be applied to non-equilibrium systems. Then, I discuss thermodynamic and dynamic properties of the vitrification process on the basis of the FEL formalism. I show that thermodynamic and dynamic anomalies at the glass transition, including the cooling rate dependence, can be understood in a unified manner which has not been achieved by any other theories of the glass transition. Namely, I show that the vitrification is a transition from annealed to quenched averages in the FEL and that the fast beta, the JG and the slow alpha relaxations are attributed to stochastic dynamics within a basin of FEL, jumping motion among locally connected basins and diffusive dynamics over barriers of the FEL.

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Lewis, Mark

2010-01-01

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes.

PubMed

Liu, Kexi; Lei, Yinkai; Wang, Guofeng

2013-11-28

Oxygen adsorption energy is directly relevant to the catalytic activity of electrocatalysts for oxygen reduction reaction (ORR). In this study, we established the correlation between the O2 adsorption energy and the electronic structure of transition metal macrocyclic complexes which exhibit activity for ORR. To this end, we have predicted the molecular and electronic structures of a series of transition metal macrocyclic complexes with planar N4 chelation, as well as the molecular and electronic structures for the O2 adsorption on these macrocyclic molecules, using the density functional theory calculation method. We found that the calculated adsorption energy of O2 on the transition metal macrocyclic complexes was linearly related to the average position (relative to the lowest unoccupied molecular orbital of the macrocyclic complexes) of the non-bonding d orbitals (d(z(2)), d(xy), d(xz), and d(yz)) which belong to the central transition metal atom. Importantly, our results suggest that varying the energy level of the non-bonding d orbitals through changing the central transition metal atom and/or peripheral ligand groups could be an effective way to tuning their O2 adsorption energy for enhancing the ORR activity of transition metal macrocyclic complex catalysts.

Transit investments for greenhouse gas and energy reduction program : second assessment report.

DOT National Transportation Integrated Search

2014-08-01

This report is the second assessment of the U.S. Department of Transportation, Federal Transit Administrations Transit Investments for : Greenhouse Gas and Energy Reduction (TIGGER) Program. The TIGGER Program provides capital funds to transit age...

A Career in Professional Athletics: A Guide for Making the Transition.

ERIC Educational Resources Information Center

Bolig, Laura E., Ed.

This booklet provides guidance to student-athletes on making the transition to a career in professional athletics. It contains a list of do's and don'ts for students in regard to their collegiate eligibility, along with suggestions on obtaining disability insurance coverage for protection from loss of future earnings. The booklet provides…

Biomolecular Dynamics: Order-Disorder Transitions and Energy Landscapes

PubMed Central

Whitford, Paul C.; Sanbonmatsu, Karissa Y.; Onuchic, José N.

2013-01-01

While the energy landscape theory of protein folding is now a widely accepted view for understanding how relatively-weak molecular interactions lead to rapid and cooperative protein folding, such a framework must be extended to describe the large-scale functional motions observed in molecular machines. In this review, we discuss 1) the development of the energy landscape theory of biomolecular folding, 2) recent advances towards establishing a consistent understanding of folding and function, and 3) emerging themes in the functional motions of enzymes, biomolecular motors, and other biomolecular machines. Recent theoretical, computational, and experimental lines of investigation are providing a very dynamic picture of biomolecular motion. In contrast to earlier ideas, where molecular machines were thought to function similarly to macroscopic machines, with rigid components that move along a few degrees of freedom in a deterministic fashion, biomolecular complexes are only marginally stable. Since the stabilizing contribution of each atomic interaction is on the order of the thermal fluctuations in solution, the rigid body description of molecular function must be revisited. An emerging theme is that functional motions encompass order-disorder transitions and structural flexibility provide significant contributions to the free-energy. In this review, we describe the biological importance of order-disorder transitions and discuss the statistical-mechanical foundation of theoretical approaches that can characterize such transitions. PMID:22790780

IBS and possible luminosity improvement for RHIC operation below transition energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedotov,A.V.

There is a strong interest in low-energy RHIC collisions in the energy range below present RHIC transition energy. These collisions win help to answer one of the key questions in the field of QCD about the existence and location of a critical point on the QCD phase diagram. For such low-energy RHIC operation, particle losses from the RF bucket are of particular concern since the longitudinal beam size is comparable to the existing RF bucket at low energies. In this paper, we explore an Intrabeam Scattering (IBS) feature below transition energy that drives the transverse and longitudinal beam temperatures towardsmore » equilibrium to see whether we can minimize longitudinal diffusion due to IBS and predict some luminosity improvement for the low-energy RHIC project.« less

Health and Climate Impacts of Rural Residential Energy Transition in China

NASA Astrophysics Data System (ADS)

Tao, Shu; Ru, Muye; Du, Wei; Zhu, Xi; Zhong, Qirui

2017-04-01

Over the last two to three decades, energy mix in rural China transit dramatically owing to rapid socioeconomic development. It is expected that such transition can result in changes in emissions of climate forcing components and air pollutants, consequently environmental and climate impacts. Such impacts were quantified by a nationwide survey on rural residential energy consumption, compilation of a series of emission inventories, modeling of atmospheric transport of pollutants, assessment on health risk induced by exposure to ambient air pollutants, and evaluation on rural residential emission originated climate forcing components. Co-benefit of the transition on both health and climate is demonstrated.

Hydrogen and Fuel Cell Transit Bus Evaluations : Joint Evaluation Plan for the U.S. Department of Energy and the Federal Transit Administration

DOT National Transportation Integrated Search

2008-05-01

This document describes the hydrogen transit bus evaluations performed by the National Renewable Energy Laboratory (NREL) and funded by the U.S. Department of Energy (DOE) and the U.S. Department of Transportations Federal Transit Administration (...

Women with disabilities making the transition back to work: Psychosocial barriers and interventions.

PubMed

Reed, Cheryl A.

1999-01-01

The economic impact of disability on employment, earnings, and education appears to be more devastating for women than for men. Women with disabilities who are making the transition either back into the workforce or into the workforce for the first time often face barriers that are unique to this population. Many researchers have described women with disabilities as having a "double disadvantage" that results in social and psychological barriers to their transition back to work. The purpose of this article is to help vocational and career development programs better address the psychosocial needs of women with disabilities by (a) describing key psychosocial barriers faced by women with disabilities in their transition back to work and (b) providing career development strategies designed to ease this transition process for women with disabilities and enhance their employment outcomes.

The electromagnetic Sigma-to-Lambda hyperon transition form factors at low energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Granados, Carlos; Leupold, Stefan; Perotti, Elisabetta

Using dispersion theory the low-energy electromagnetic form factors for the transition of a Sigma to a Lambda hyperon are related to the pion vector form factor. The additionally required input, i.e. the two-pion-Sigma-Lambda amplitudes are determined from relativistic next-to-leading-order (NLO) baryon chiral perturbation theory including the baryons from the octet and optionally from the decuplet. Pion rescattering is again taken into account by dispersion theory. It turns out that the inclusion of decuplet baryons is not an option but a necessity to obtain reasonable results. The electric transition form factor remains very small in the whole low-energy region. The magneticmore » transition form factor depends strongly on one not very well determined low-energy constant of the NLO Lagrangian. Furthermore, one obtains reasonable predictive power if this low-energy constant is determined from a measurement of the magnetic transition radius. Such a measurement can be performed at the future Facility for Antiproton and Ion Research (FAIR).« less

The electromagnetic Sigma-to-Lambda hyperon transition form factors at low energies

DOE PAGES

Granados, Carlos; Leupold, Stefan; Perotti, Elisabetta

2017-06-09

Using dispersion theory the low-energy electromagnetic form factors for the transition of a Sigma to a Lambda hyperon are related to the pion vector form factor. The additionally required input, i.e. the two-pion-Sigma-Lambda amplitudes are determined from relativistic next-to-leading-order (NLO) baryon chiral perturbation theory including the baryons from the octet and optionally from the decuplet. Pion rescattering is again taken into account by dispersion theory. It turns out that the inclusion of decuplet baryons is not an option but a necessity to obtain reasonable results. The electric transition form factor remains very small in the whole low-energy region. The magneticmore » transition form factor depends strongly on one not very well determined low-energy constant of the NLO Lagrangian. Furthermore, one obtains reasonable predictive power if this low-energy constant is determined from a measurement of the magnetic transition radius. Such a measurement can be performed at the future Facility for Antiproton and Ion Research (FAIR).« less

Ideal glass transitions in thin films: An energy landscape perspective

NASA Astrophysics Data System (ADS)

Truskett, Thomas M.; Ganesan, Venkat

2003-07-01

We introduce a mean-field model for the potential energy landscape of a thin fluid film confined between parallel substrates. The model predicts how the number of accessible basins on the energy landscape and, consequently, the film's ideal glass transition temperature depend on bulk pressure, film thickness, and the strength of the fluid-fluid and fluid-substrate interactions. The predictions are in qualitative agreement with the experimental trends for the kinetic glass transition temperature of thin films, suggesting the utility of landscape-based approaches for studying the behavior of confined fluids.

Activation energy of the low-load NaCl transition from nanoindentation loading curves.

PubMed

Kaupp, Gerd

2014-01-01

Access to activation energies E(a) of phase transitions is opened by unprecedented analyses of temperature dependent nanoindentation loading curves. It is based on kinks in linearized loading curves, with additional support by coincidence of kink and electrical conductivity of silicon loading curves. Physical properties of B1, B2, NaCl and further phases are discussed. The normalized low-load transition energy of NaCl (Wtrans/µN) increases with temperature and slightly decreases with load. Its semi-logarithmic plot versus T obtains activation energy E(a)/µN for calculation of the transition work for all interesting temperatures and pressures. Arrhenius-type activation energy (kJ/mol) is unavailable for indentation phase transitions. The E(a) per load normalization proves insensitive to creep-on-load, which excludes normalization to depth or volume for large temperature ranges. Such phase transition E(a)/µN is unprecedented material's property and will be of practical importance for the compatibility of composite materials under impact and further shearing interactions at elevated temperatures. © 2014 Wiley Periodicals, Inc.

Interactions between negative energy balance, metabolic diseases, uterine health and immune response in transition dairy cows.

PubMed

Esposito, Giulia; Irons, Pete C; Webb, Edward C; Chapwanya, Aspinas

2014-01-30

The biological cycles of milk production and reproduction determine dairying profitability thus making management decisions dynamic and time-dependent. Diseases also negatively impact on net earnings of a dairy enterprise. Transition cows in particular face the challenge of negative energy balance (NEB) and/or disproportional energy metabolism (fatty liver, ketosis, subacute, acute ruminal acidosis); disturbed mineral utilization (milk fever, sub-clinical hypocalcemia); and perturbed immune function (retained placenta, metritis, mastitis). Consequently NEB and reduced dry matter intake are aggravated. The combined effects of all these challenges are reduced fertility and milk production resulting in diminishing profits. Risk factors such as NEB, inflammation and impairment of the immune response are highly cause-and-effect related. Thus, managing cows during the transition period should be geared toward reducing NEB or feeding specially formulated diets to improve immunity. Given that all cows experience a reduced feed intake and body condition, infection and inflammation of the uterus after calving, there is a need for further research on the immunology of transition dairy cows. Integrative approaches at the molecular, cellular and animal level may unravel the complex interactions between disturbed metabolism and immune function that predispose cows to periparturient diseases. Copyright © 2014 Elsevier B.V. All rights reserved.

Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions.

PubMed

Fujisawa, Jun-ichi

2015-05-14

Interfacial charge-transfer (ICT) transitions are expected to be a novel charge-separation mechanism for efficient photovoltaic conversion featuring one-step charge separation without energy loss. Photovoltaic conversion due to ICT transitions has been investigated using several TiO2-organic hybrid materials that show organic-to-inorganic ICT transitions in the visible region. In applications of ICT transitions to photovoltaic conversion, there is a significant problem that rapid carrier recombination is caused by organic-inorganic electronic coupling that is necessary for the ICT transitions. In order to solve this problem, in this work, I have theoretically studied light-to-current conversions due to the ICT transitions on the basis of the Marcus theory with density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. An apparent correlation between the reported incident photon-to-current conversion efficiencies (IPCE) and calculated reorganization energies was clearly found, in which the IPCE increases with decreasing the reorganization energy consistent with the Marcus theory in the inverted region. This activation-energy dependence was systematically explained by the equation formulated by the Marcus theory based on a simple excited-state kinetic scheme. This result indicates that the reduction of the reorganization energy can suppress the carrier recombination and enhance the IPCE. The reorganization energy is predominantly governed by the structural change in the chemical-adsorption moiety between the ground and ICT excited states. This work provides crucial knowledge for efficient photovoltaic conversion due to ICT transitions.

School to Work: Making the Transition.

ERIC Educational Resources Information Center

Academy for Educational Development, Washington, DC. National Inst. for Work and Learning.

This publication describes the Academy for Educational Development's (AED's) vision and work in school-to-work transition and related areas. School-to-work transition is defined, and components of a successful school-to-work transition system are listed. The National Institute for Work and Learning (NIWL) is currently conducting an extensive study…

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kutzler, F.W.; Painter, G.S.

1991-03-15

The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

The quality of life of single mothers making the transition from welfare to work.

PubMed

Cook, Kay; Davis, Elise; Smyth, Paul; McKenzie, Hayley

2009-09-01

This study examined the quality of life of single mothers making the mandatory transition from welfare to work. The Australian government purported that the benefits of making this transition would include higher incomes, better social participation, and improved wellbeing. It is currently unknown, however, how single mothers currently engaged in welfare to work programs evaluate their quality of life. Quality of life scores for 334 single mothers engaged in welfare to work in Australia were compared with normative data. Participants reported significantly lower quality of life scores than the general population for all quality of life domains, highlighting the need to carefully examine welfare to work policies to ensure they promote participants' quality of life.

Technical Note: Effect of explicit M and N-shell atomic transitions on a low-energy x-ray source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watson, Peter G. F., E-mail: peter.watson@mail.mcgill.ca; Seuntjens, Jan

Purpose: In EGSnrc, atomic transitions to and from the M and N-shells are treated in an average way by default. This approach is justified in which the energy difference between explicit and average M and N-shell binding energies is less than 1 keV, and for most applications can be considered negligible. However, for simulations of low energy x-ray sources on thin, high-Z targets, characteristic x-rays can make up a significant portion of the source spectra. As of release V4-2.4.0, EGSnrc has included an option to enable a more complete algorithm of all atomic transitions available in the EADL compilation. Inmore » this paper, the effect of M and N-shell averaging on the calculation of half-value layer (HVL) and relative depth dose (RDD) curve of a 50 kVp intraoperative x-ray tube with a thin gold target was investigated. Methods: A 50 kVp miniature x-ray source with a gold target (The INTRABEAM System, Carl Zeiss, Germany) was modeled with the EGSnrc user code cavity, both with and without M and N-shell averaging. From photon fluence spectra simulations, the source HVLs were determined analytically. The same source model was then used with egs-chamber to calculate RDD curves in water. Results: A 4% increase of HVL was reported when accounting for explicit M and N-shell transitions, and up to a 9% decrease in local relative dose for normalization at 3 mm depth in water. Conclusions: The EGSnrc default of using averaged M and N-shell binding energies has an observable effect on the HVL and RDD of a low energy x-ray source with high-Z target. For accurate modeling of this class of devices, explicit atomic transitions should be included.« less

Exchange and relaxation effects in low-energy radiationless transitions

NASA Technical Reports Server (NTRS)

Chen, M. H.; Crasemann, B.; Aoyagi, M.; Mark, H.

1978-01-01

The effect on low-energy atomic inner-shell Coster-Kronig and super Coster-Kronig transitions that is produced by relaxation and by exchange between the continuum electron and bound electrons was examined and illustrated by specific calculations for transitions that deexcite the 3p vacancy state of Zn. Taking exchange and relaxation into account is found to reduce, but not to eliminate, the discrepancies between theoretical rates and measurements.

Correlated natural transition orbital framework for low-scaling excitation energy calculations (CorNFLEx).

PubMed

Baudin, Pablo; Kristensen, Kasper

2017-06-07

We present a new framework for calculating coupled cluster (CC) excitation energies at a reduced computational cost. It relies on correlated natural transition orbitals (NTOs), denoted CIS(D')-NTOs, which are obtained by diagonalizing generalized hole and particle density matrices determined from configuration interaction singles (CIS) information and additional terms that represent correlation effects. A transition-specific reduced orbital space is determined based on the eigenvalues of the CIS(D')-NTOs, and a standard CC excitation energy calculation is then performed in that reduced orbital space. The new method is denoted CorNFLEx (Correlated Natural transition orbital Framework for Low-scaling Excitation energy calculations). We calculate second-order approximate CC singles and doubles (CC2) excitation energies for a test set of organic molecules and demonstrate that CorNFLEx yields excitation energies of CC2 quality at a significantly reduced computational cost, even for relatively small systems and delocalized electronic transitions. In order to illustrate the potential of the method for large molecules, we also apply CorNFLEx to calculate CC2 excitation energies for a series of solvated formamide clusters (up to 4836 basis functions).

A phase transition in energy-filtered RNA secondary structures.

PubMed

Han, Hillary S W; Reidys, Christian M

2012-10-01

In this article we study the effect of energy parameters on minimum free energy (mfe) RNA secondary structures. Employing a simplified combinatorial energy model that is only dependent on the diagram representation and is not sequence-specific, we prove the following dichotomy result. Mfe structures derived via the Turner energy parameters contain only finitely many complex irreducible substructures, and just minor parameter changes produce a class of mfe structures that contain a large number of small irreducibles. We localize the exact point at which the distribution of irreducibles experiences this phase transition from a discrete limit to a central limit distribution and, subsequently, put our result into the context of quantifying the effect of sparsification of the folding of these respective mfe structures. We show that the sparsification of realistic mfe structures leads to a constant time and space reduction, and that the sparsification of the folding of structures with modified parameters leads to a linear time and space reduction. We, furthermore, identify the limit distribution at the phase transition as a Rayleigh distribution.

The energy divide: Integrating energy transitions, regional inequalities and poverty trends in the European Union

PubMed Central

Bouzarovski, Stefan; Tirado Herrero, Sergio

2016-01-01

Energy poverty can be understood as the inability of a household to secure a socially and materially necessitated level of energy services in the home. While the condition is widespread across Europe, its spatial and social distribution is highly uneven. In this paper, the existence of a geographical energy poverty divide in the European Union (EU) provides a starting point for conceptualizing and exploring the relationship between energy transitions – commonly described as wide-ranging processes of socio-technical change – and existing patterns of regional economic inequality. We have undertaken a comprehensive analysis of spatial and temporal trends in the national-scale patterns of energy poverty, as well as gas and electricity prices. The results of our work indicate that the classic economic development distinction between the core and periphery also holds true in the case of energy poverty, as the incidence of this phenomenon is significantly higher in Southern and Eastern European EU Member States. The paper thus aims to provide the building blocks for a novel theoretical integration of questions of path-dependency, uneven development and material deprivation in existing interpretations of energy transitions. PMID:28690374

City-Level Energy Decision Making. Data Use in Energy Planning, Implementation, and Evaluation in U.S. Cities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aznar, Alexandra; Day, Megan; Doris, Elizabeth

2015-07-08

The Cities-LEAP technical report, City-Level Energy Decision Making: Data Use in Energy Planning, Implementation, and Evaluation in U.S. Cities, explores how a sample of cities incorporates data into making energy-related decisions. This report provides the foundation for forthcoming components of the Cities-LEAP project that will help cities improve energy decision making by mapping specific city energy or climate policies and actions to measurable impacts and results.

The support needs of new graduate nurses making the transition to rural nursing practice in Australia.

PubMed

Lea, Jackie; Cruickshank, Mary

2015-04-01

The aim of this paper is to present the findings from the new graduate nurse participants of a larger study that explored the transitional experiences of newly graduated nurses making the role transition in rural health care facilities in Australia. Evidence indicates that workload, skill mix and organizational pressures are still of concern for new nursing graduates within the Australian context and internationally. Many graduates are expected by employers to have high levels of independence, well developed problem solving abilities and be able to assume management and leadership responsibilities early in their graduate year. An exploratory, descriptive, qualitative case study design was utilised to determine the particular support needs over time that would assist with a safe transition to the rural nursing workforce. The aims of the study were to: (1) Explore the new graduate nurses' perceptions and experience of the nature and timing of support throughout their Transition to Practice Program in a rural setting; (2) Identify the functional elements of rural graduate nurse transition programs and develop guidelines that will assist in the design of Transition to Practice Programs that match the rural context and capacity. A purposive sample of 15 new graduate nurses who had commenced a 12 month Transition to Practice Program within a rural health facility from northern New South Wales, Australia, participated in this study. In-depth individual interviews with the new graduate nurses were conducted at time intervals of three to four months, six to seven months and 10 to 11 months. One of the key findings of this study is that as the new graduate nurse making the transition to professional rural nursing practice moves along the transition continuum, there are particular and unique aspects of the rural nurse's role and responsibilities for which the new graduate nurse will require specific learning support during their transition. When the new graduate moves from

Critical behavior in the inverse to forward energy transition in two-dimensional magnetohydrodynamic flow.

PubMed

Seshasayanan, Kannabiran; Alexakis, Alexandros

2016-01-01

We investigate the critical transition from an inverse cascade of energy to a forward energy cascade in a two-dimensional magnetohydrodynamic flow as the ratio of magnetic to mechanical forcing amplitude is varied. It is found that the critical transition is the result of two competing processes. The first process is due to hydrodynamic interactions and cascades the energy to the large scales. The second process couples small-scale magnetic fields to large-scale flows, transferring the energy back to the small scales via a nonlocal mechanism. At marginality the two cascades are both present and cancel each other. The phase space diagram of the transition is sketched.

Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system

NASA Astrophysics Data System (ADS)

Kiyokawa, Shuji

2018-05-01

In the Yukawa system with the dimensionless screening parameter κ>1.5 , when bcc-fcc transition occurs via Bain path, we show that spontaneous transitions do not occur even if the system temperature reaches the transition point of bcc-fcc because it is necessary to increase once the free energy in the process of transition from bcc to fcc through Bain deformation. Here, we refer the temporary increment of the free energy during Bain deformation as Bain barrier. Since there are the Bain barriers at the transitions between bcc and fcc phases, these phases may coexist as metastable state in the wide region (not a coexistence line) of κ and the coupling constant Γ. We study the excess energy of the system and the free energy difference between bcc and fcc phases by the Monte Carlo method, where the simulation box is divided into a large number of elements with small volume and a particle in the box is restricted be placed in one of these elements. By this method, we can tabulate the values of the interparticle potential and can calculate the internal energy fast and precisely.

Meaning-Making Dynamics of Emancipated Foster Care Youth Transitioning into Higher Education: A Constructivist-Grounded Theory

ERIC Educational Resources Information Center

Okumu, Jacob O.

2014-01-01

This study explored college transition meaning-making dynamics of emancipated foster care youth and the role campus environments play in that process. It adds to the college student development theoretical base by acknowledging the needs, goals, and values of disenfranchised college students transitioning into higher education. Emancipated foster…

Minimum Free Energy Path of Ligand-Induced Transition in Adenylate Kinase

PubMed Central

Matsunaga, Yasuhiro; Fujisaki, Hiroshi; Terada, Tohru; Furuta, Tadaomi; Moritsugu, Kei; Kidera, Akinori

2012-01-01

Large-scale conformational changes in proteins involve barrier-crossing transitions on the complex free energy surfaces of high-dimensional space. Such rare events cannot be efficiently captured by conventional molecular dynamics simulations. Here we show that, by combining the on-the-fly string method and the multi-state Bennett acceptance ratio (MBAR) method, the free energy profile of a conformational transition pathway in Escherichia coli adenylate kinase can be characterized in a high-dimensional space. The minimum free energy paths of the conformational transitions in adenylate kinase were explored by the on-the-fly string method in 20-dimensional space spanned by the 20 largest-amplitude principal modes, and the free energy and various kinds of average physical quantities along the pathways were successfully evaluated by the MBAR method. The influence of ligand binding on the pathways was characterized in terms of rigid-body motions of the lid-shaped ATP-binding domain (LID) and the AMP-binding (AMPbd) domains. It was found that the LID domain was able to partially close without the ligand, while the closure of the AMPbd domain required the ligand binding. The transition state ensemble of the ligand bound form was identified as those structures characterized by highly specific binding of the ligand to the AMPbd domain, and was validated by unrestrained MD simulations. It was also found that complete closure of the LID domain required the dehydration of solvents around the P-loop. These findings suggest that the interplay of the two different types of domain motion is an essential feature in the conformational transition of the enzyme. PMID:22685395

Energy Landscape and Transition State of Protein-Protein Association

NASA Astrophysics Data System (ADS)

Alsallaq, Ramzi; Zhou, Huan-Xiang

2006-11-01

Formation of a stereospecific protein complex is favored by specific interactions between two proteins but disfavored by the loss of translational and rotational freedom. Echoing the protein folding process, we have previously proposed a transition state for protein-protein association. Here we clarify the specification of the transition state by working with two toy models for protein association. The models demonstrate that a sharp transition between the bound state with numerous short-range interactions but restricted translation and rotational freedom and the unbound state with at most a small number of interactions but expanded configurational freedom. This transition sets the outer boundary of the bound state as well as the transition state for association. The energy landscape is funnel-like, with the deep well of the bound state surrounded by a broad shallow basin. This formalism of protein-protein association is applied to four protein-protein complexes, and is found to give accurate predictions for the effects of charge mutations and ionic strength on the association rates.

Energy storage deployment and innovation for the clean energy transition

NASA Astrophysics Data System (ADS)

Kittner, Noah; Lill, Felix; Kammen, Daniel M.

2017-09-01

The clean energy transition requires a co-evolution of innovation, investment, and deployment strategies for emerging energy storage technologies. A deeply decarbonized energy system research platform needs materials science advances in battery technology to overcome the intermittency challenges of wind and solar electricity. Simultaneously, policies designed to build market growth and innovation in battery storage may complement cost reductions across a suite of clean energy technologies. Further integration of R&D and deployment of new storage technologies paves a clear route toward cost-effective low-carbon electricity. Here we analyse deployment and innovation using a two-factor model that integrates the value of investment in materials innovation and technology deployment over time from an empirical dataset covering battery storage technology. Complementary advances in battery storage are of utmost importance to decarbonization alongside improvements in renewable electricity sources. We find and chart a viable path to dispatchable US$1 W-1 solar with US$100 kWh-1 battery storage that enables combinations of solar, wind, and storage to compete directly with fossil-based electricity options.

Transit investments for greenhouse gas and energy reduction program : first assessment report.

DOT National Transportation Integrated Search

2012-07-01

The purpose of this report is to provide an overview and preliminary analysis of the U.S. Department of Transportation, Federal Transit Administrations TIGGER Program. TIGGER, which stands for Transit Investments for Greenhouse Gas and Energy Redu...

Supporting new graduate nurses making the transition to rural nursing practice: views from experienced rural nurses.

PubMed

Lea, Jackie; Cruickshank, Mary

2015-10-01

To present the findings from the experienced rural nurse participants of a larger study that explored the transitional experiences of newly graduated nurses making the role transition in rural health care facilities in Australia. There are specific and unique aspects of rural nursing practice that influence the nature and timing of support for new graduate nurses that have not been explored or acknowledged as influencing the new graduate nurses' experience of transition. Specifically, the difficulties and challenges that experienced rural nurses face in providing effective and timely support for new graduate nurses who are making the transition to rural nursing practice is yet to be explored. Using a qualitative case study framework, this study specifically aimed to investigate and describe the nature and timing of support required during the transition to nursing practice that is specific for the rural context and capacity. Individual in-depth interviews were conducted with 16 experienced rural nurses who, at the time of the study, worked with new graduate nurses in the rural practice environment. The findings from this study showed that the provision of timely on-ward support for new graduates making the transition to rural nursing practice is affected and influenced by the skill mix and staffing allocation within the rural environment. As well, there is a lack of awareness by rural nurses of how to meet the on-ward support needs of new graduate nurses. This study has identified the specific and unique aspects of the rural nurse's role and responsibilities for which the new graduate nurse requires incremental learning and intensive clinical support. The findings can be used by rural health services and experienced rural registered nurses to assist in implementing adequate and timely support for new graduate nurses. © 2015 John Wiley & Sons Ltd.

Irrational decision-making in an amoeboid organism: transitivity and context-dependent preferences.

PubMed

Latty, Tanya; Beekman, Madeleine

2011-01-22

Most models of animal foraging and consumer choice assume that individuals make choices based on the absolute value of items and are therefore 'economically rational'. However, frequent violations of rationality by animals, including humans, suggest that animals use comparative valuation rules. Are comparative valuation strategies a consequence of the way brains process information, or are they an intrinsic feature of biological decision-making? Here, we examine the principles of rationality in an organism with radically different information-processing mechanisms: the brainless, unicellular, slime mould Physarum polycephalum. We offered P. polycephalum amoebas a choice between food options that varied in food quality and light exposure (P. polycephalum is photophobic). The use of an absolute valuation rule will lead to two properties: transitivity and independence of irrelevant alternatives (IIA). Transitivity is satisfied if preferences have a consistent, linear ordering, while IIA states that a decision maker's preference for an item should not change if the choice set is expanded. A violation of either of these principles suggests the use of comparative rather than absolute valuation rules. Physarum polycephalum satisfied transitivity by having linear preference rankings. However, P. polycephalum's preference for a focal alternative increased when a third, inferior quality option was added to the choice set, thus violating IIA and suggesting the use of a comparative valuation process. The discovery of comparative valuation rules in a unicellular organism suggests that comparative valuation rules are ubiquitous, if not universal, among biological decision makers.

Energy at the Frontier: Low Carbon Energy System Transitions and Innovation in Four Prime Mover Countries

NASA Astrophysics Data System (ADS)

Araujo, Kathleen M.

All too often, discussion about the imperative to change national energy pathways revolves around long timescales and least cost economics of near-term energy alternatives. While both elements certainly matter, they don't fully reflect what can drive such development trajectories. This study explores national energy transitions by examining ways in which four prime mover countries of low carbon energy technology shifted away from fossil fuels, following the first global oil crisis of 1973. The research analyzes the role of readiness, sectoral contributions and adaptive policy in the scale-up and innovations of advanced, alternative energy technologies. Cases of Brazilian biofuels, Danish wind power, French nuclear power and Icelandic geothermal energy are analyzed for a period of four decades. Fundamentally, the research finds that significant change can occur in under 15 years; that technology complexity need not necessarily impede change; and that countries of different governance approaches and consumption levels can effectuate such transitions. This research also underscores that low carbon energy technologies may be adopted before they are competitive and then become competitive in the process. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs - docs mit.edu)

Porous nanoarchitectures of spinel-type transition metal oxides for electrochemical energy storage systems.

PubMed

Park, Min-Sik; Kim, Jeonghun; Kim, Ki Jae; Lee, Jong-Won; Kim, Jung Ho; Yamauchi, Yusuke

2015-12-14

Transition metal oxides possessing two kinds of metals (denoted as AxB3-xO4, which is generally defined as a spinel structure; A, B = Co, Ni, Zn, Mn, Fe, etc.), with stoichiometric or even non-stoichiometric compositions, have recently attracted great interest in electrochemical energy storage systems (ESSs). The spinel-type transition metal oxides exhibit outstanding electrochemical activity and stability, and thus, they can play a key role in realising cost-effective and environmentally friendly ESSs. Moreover, porous nanoarchitectures can offer a large number of electrochemically active sites and, at the same time, facilitate transport of charge carriers (electrons and ions) during energy storage reactions. In the design of spinel-type transition metal oxides for energy storage applications, therefore, nanostructural engineering is one of the most essential approaches to achieving high electrochemical performance in ESSs. In this perspective, we introduce spinel-type transition metal oxides with various transition metals and present recent research advances in material design of spinel-type transition metal oxides with tunable architectures (shape, porosity, and size) and compositions on the micro- and nano-scale. Furthermore, their technological applications as electrode materials for next-generation ESSs, including metal-air batteries, lithium-ion batteries, and supercapacitors, are discussed.

Energy levels, radiative rates, and lifetimes for transitions in W LVIII

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aggarwal, Kanti M., E-mail: K.Aggarwal@qub.ac.uk; Keenan, Francis P.

2014-11-15

Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the general-purpose relativistic atomic structure package (GRASP) adopted for the calculations. Since no other results of comparable complexity are available, calculations have also been performed with the flexible atomic code (FAC), which help in assessing the accuracy of our results. Energies are listed for the lowest 400 levels (with energies up to ∼98 Ryd), which mainly belong to the 3s{sup 2}3p{sup 5}, 3s3p{sup 6}, 3s{supmore » 2}3p{sup 4}3d, 3s{sup 2}3p{sup 3}3d{sup 2}, 3s3p{sup 4}3d{sup 2}, 3s{sup 2}3p{sup 2}3d{sup 3}, and 3p{sup 6}3d configurations, and radiative rates are provided for four types of transitions, i.e. E1, E2, M1, and M2. Our energy levels are assessed to be accurate to better than 0.5%, whereas radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.« less

Get Started: Energy Efficiency Makes More Sense Than Ever.

ERIC Educational Resources Information Center

Alban, Josh; Drabick, J. R.

2003-01-01

Describes the benefits of making school building more energy efficient. Provides examples of physical retrofits and behavioral changes to save energy costs. Describes four-step process to create an energy efficiency plan. Includes resources and information such as U.S. Department of Energy's Energy STAR program (www.energystar.gov). (PKP)

Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes

DOE PAGES

Zarkevich, Nikolai A.; Johnson, Duane D.

2015-01-09

The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP.more » In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.« less

Non-resonant electromechanical energy harvesting using inter-ferroelectric phase transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pérez Moyet, Richard; Rossetti, George A., E-mail: george.rossetti-jr@uconn.edu; Stace, Joseph

Non-resonant electromechanical energy harvesting is demonstrated under low frequency excitation (<50 Hz) using [110]{sub C}-poled lead indium niobate-lead magnesium niobate-lead titanate relaxor ferroelectric single crystals with compositions near the morphotropic phase boundary. The efficiency of power generation at the stress-induced phase transition between domain-engineered rhombohedral and orthorhombic ferroelectric states is as much as four times greater than is obtained in the linear piezoelectric regime under identical measurement conditions but during loading below the coercive stress of the phase change. The phase transition mode of electromechanical transduction holds potential for non-resonant energy harvesting from low-frequency vibrations and does not require mechanical frequencymore » up-conversion.« less

Cohesion and coordination effects on transition metal surface energies

NASA Astrophysics Data System (ADS)

Ruvireta, Judit; Vega, Lorena; Viñes, Francesc

2017-10-01

Here we explore the accuracy of Stefan equation and broken-bond model semiempirical approaches to obtain surface energies on transition metals. Cohesive factors are accounted for either via the vaporization enthalpies, as proposed in Stefan equation, or via cohesive energies, as employed in the broken-bond model. Coordination effects are considered including the saturation degree, as suggested in Stefan equation, employing Coordination Numbers (CN), or as the ratio of broken bonds, according to the bond-cutting model, considering as well the square root dependency of the bond strength on CN. Further, generalized coordination numbers CN bar are contemplated as well, exploring a total number of 12 semiempirical formulations on the three most densely packed surfaces of 3d, 4d, and 5d Transition Metals (TMs) displaying face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. Estimates are compared to available experimental surface energies obtained extrapolated to zero temperature. Results reveal that Stefan formula cohesive and coordination dependencies are only qualitative suited, but unadvised for quantitative discussion, as surface energies are highly overestimated, favoring in addition the stability of under-coordinated surfaces. Broken-bond cohesion and coordination dependencies are a suited basis for quantitative comparison, where square-root dependencies on CN to account for bond weakening are sensibly worse. An analysis using Wulff shaped averaged surface energies suggests the employment of broken-bond model using CN to gain surface energies for TMs, likely applicable to other metals.

Transition energies and polarizabilities of hydrogen like ions in plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, Madhusmita

2012-09-15

Effect of plasma screening on various properties like transition energy, polarizability (dipole and quadrupole), etc. of hydrogen like ions is studied. The bound and free state wave functions and transition matrix elements are obtained by numerically integrating the radial Schrodinger equation for appropriate plasma potential. We have used adaptive step size controlled Runge-Kutta method to perform the numerical integration. Debye-Huckel potential is used to investigate the variation in transition lines and polarizabilities (dipole and quadrupole) with increasing plasma screening. For a strongly coupled plasma, ion sphere potential is used to show the variation in excitation energy with decreasing ion spheremore » radius. It is observed that plasma screening sets in phenomena like continuum lowering and pressure ionization, which are unique to ions in plasma. Of particular interest is the blue (red) shift in transitions conserving (non-conserving) principal quantum number. The plasma environment also affects the dipole and quadrupole polarizability of ions in a significant manner. The bound state contribution to polarizabilities decreases with increase in plasma density whereas the continuum contribution is significantly enhanced. This is a result of variation in the behavior of bound and continuum state wave functions in the presence of plasma. We have compared the results with existing theoretical and experimental data wherever present.« less

Transition Time: Make It a Learning Time.

ERIC Educational Resources Information Center

Baker, Betty Ruth

Teacher selection and planning of appropriate transition activities for preschool age children is discussed in this paper. Teachers are encouraged to use transition time to provide an opportunity for imaginative and creative thinking and to avoid tedious waiting and chaos. Transition activities can be used as a teaching technique to prepare…

Transition Metal Nitrides for Electrocatalytic Energy Conversion: Opportunities and Challenges.

PubMed

Xie, Junfeng; Xie, Yi

2016-03-07

Electrocatalytic energy conversion has been considered as one of the most efficient and promising pathways for realizing energy storage and energy utilization in modern society. To improve electrocatalytic reactions, specific catalysts are needed to lower the overpotential. In the search for efficient alternatives to noble metal catalysts, transition metal nitrides have attracted considerable interest due to their high catalytic activity and unique electronic structure. Over the past few decades, numerous nitride-based catalysts have been explored with respect to their ability to drive various electrocatalytic reactions, such as the hydrogen evolution reaction and the oxygen evolution reaction to achieve water splitting and the oxygen reduction reaction coupled with the methanol oxidation reaction to construct fuel cells or rechargeable Li-O2 batteries. This Minireview provides a brief overview of recent progress on electrocatalysts based on transition metal nitrides, and outlines the current challenges and future opportunities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling the Oil Transition: A Summary of the Proceedings of the DOE/EPA Workshop on the Economic and Environmental Implications of Global Energy Transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greene, David L

2007-02-01

The global energy system faces sweeping changes in the next few decades, with potentially critical implications for the global economy and the global environment. It is important that global institutions have the tools necessary to predict, analyze and plan for such massive change. This report summarizes the proceedings of an international workshop concerning methods of forecasting, analyzing, and planning for global energy transitions and their economic and environmental consequences. A specific case, it focused on the transition from conventional to unconventional oil and other energy sources likely to result from a peak in non-OPEC and/or global production of conventional oil.more » Leading energy models from around the world in government, academia and the private sector met, reviewed the state-of-the-art of global energy modeling and evaluated its ability to analyze and predict large-scale energy transitions.« less

Higher-order symmetry energy and neutron star core-crust transition with Gogny forces

NASA Astrophysics Data System (ADS)

Gonzalez-Boquera, C.; Centelles, M.; Viñas, X.; Rios, A.

2017-12-01

Background: An accurate determination of the core-crust transition is necessary in the modeling of neutron stars for astrophysical purposes. The transition is intimately related to the isospin dependence of the nuclear force at low baryon densities. Purpose: To study the symmetry energy and the core-crust transition in neutron stars using the finite-range Gogny nuclear interaction and to examine the deduced crustal thickness and crustal moment of inertia. Methods: The second-, fourth-, and sixth-order coefficients of the Taylor expansion of the energy per particle in powers of the isospin asymmetry are analyzed for Gogny forces. These coefficients provide information about the departure of the symmetry energy from the widely used parabolic law. The neutron star core-crust transition is evaluated by looking at the onset of thermodynamical instability of the liquid core. The calculation is performed with the exact Gogny equation of state (EoS) (i.e., the Gogny EoS with the full isospin dependence) for the β -equilibrated matter of the core, and also with the Taylor expansion of the Gogny EoS in order to assess the influence of isospin expansions on locating the inner edge of neutron star crusts. Results: The properties of the core-crust transition derived from the exact EoS differ from the predictions of the Taylor expansion even when the expansion is carried through sixth order in the isospin asymmetry. Gogny forces, using the exact EoS, predict the ranges 0.094 fm-3≲ρt≲0.118 fm-3 for the transition density and 0.339 MeVfm-3≲Pt≲0.665 MeVfm-3 for the transition pressure. The transition densities show an anticorrelation with the slope parameter L of the symmetry energy. The transition pressures are not found to correlate with L . Neutron stars obtained with Gogny forces have maximum masses below 1.74 M⊙ and relatively small moments of inertia. The crustal mass and moment of inertia are evaluated and comparisons are made with the constraints from observed

Determination of the energy transitions and half-lives of Rubidium nuclei

NASA Astrophysics Data System (ADS)

Biçer, Ahmet; Manisa, Kaan; Engin Çalık, Abdullah; Erdoğan, Mehmet; Şen, Mürsel; Bircan, Hasan; Dapo, Haris; Boztosun, Ismail

2018-03-01

The photonuclear reactions, first extensively studied in the 1970's and performed using the gamma rays obtained via bremsstrahlung, are a standard nuclear physics experiment. In this study, a non-enriched Rubidium sample was irradiated with photons produced by a clinical linear electron accelerator (cLINACs) with energies up to 18 MeV with the aim of activating it through photonuclear reactions. The activated sample was measured with a high purity germanium detector (HPGe) with the aim of measuring the transition energies and half-lives. The spectroscopic analysis performed on the obtained data yielded high quality results for the transition energies with precision matching or surpassing the literature data. For the half-lives the results were consistent with the literature, most notably the half-life of 84mRb decay was determined as 20.28(2) m. The results for both energies and half-lives further show that the clinical linear accelerators can be successfully used as an efficient tool in experimental nuclear research endeavors.

Ultrasonic guided wave propagation across waveguide transitions: energy transfer and mode conversion.

PubMed

Puthillath, Padmakumar; Galan, Jose M; Ren, Baiyang; Lissenden, Cliff J; Rose, Joseph L

2013-05-01

Ultrasonic guided wave inspection of structures containing adhesively bonded joints requires an understanding of the interaction of guided waves with geometric and material discontinuities or transitions in the waveguide. Such interactions result in mode conversion with energy being partitioned among the reflected and transmitted modes. The step transition between an aluminum layer and an aluminum-adhesive-aluminum multi-layer waveguide is analyzed as a model structure. Dispersion analysis enables assessment of (i) synchronism through dispersion curve overlap and (ii) wavestructure correlation. Mode-pairs in the multi-layer waveguide are defined relative to a prescribed mode in a single layer as being synchronized and having nearly perfect wavestructure matching. Only a limited number of mode-pairs exist, and each has a unique frequency range. A hybrid model based on semi-analytical finite elements and the normal mode expansion is implemented to assess mode conversion at a step transition in a waveguide. The model results indicate that synchronism and wavestructure matching is associated with energy transfer through the step transition, and that the energy of an incident wave mode in a single layer is transmitted almost entirely to the associated mode-pair, where one exists. This analysis guides the selection of incident modes that convert into transmitted modes and improve adhesive joint inspection with ultrasonic guided waves.

Effects of the menopausal transition on energy expenditure: a MONET Group Study.

PubMed

Duval, K; Prud'homme, D; Rabasa-Lhoret, R; Strychar, I; Brochu, M; Lavoie, J-M; Doucet, E

2013-04-01

Factors that influence weight gain during the menopausal transition are not fully understood. The purpose of this study was to investigate changes in energy expenditure (EE) across the menopausal transition. In all, 102 premenopausal women (age: 49.9 ± 1.9 years; body mass index: 23.3 ± 2.2 kg/m(2)) were followed for 5 years. Body composition (dual-energy X-ray absorptiometry), physical activity EE (accelerometer), resting EE and thermic effect of food (indirect calorimetry) were measured annually. Total EE decreased significantly over time in postmenopausal women (P<0.05), which was mostly due to a decrease in physical activity EE (P<0.05). Although average resting EE remained stable over time in postmenopausal women, a significant increase, over the 5-year period, was noted in women who were in the menopausal transition by year 5 (P<0.05). Finally, the time spent in moderate physical activity decreased and the time spent in sedentary physical activity increased during the menopausal transition (P<0.05). These results suggest that menopausal transition is accompanied with a decline in EE mainly characterized by a decrease in physical activity EE and a shift to a more sedentary lifestyle.

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low-lying states of the CO+ cation

NASA Astrophysics Data System (ADS)

Xing, Wei; Shi, Deheng; Zhang, Jicai; Sun, Jinfeng; Zhu, Zunlue

2018-05-01

This paper calculates the potential energy curves of 21 Λ-S and 42 Ω states, which arise from the first two dissociation asymptotes of the CO+ cation. The calculations are conducted using the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with the Davidson correction. To improve the reliability and accuracy of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are taken into account. The spectroscopic parameters and vibrational levels are determined. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is evaluated. To better study the transition probabilities, the transition dipole moments are computed. The Franck-Condon factors and Einstein coefficients of some emissions are calculated. The radiative lifetimes are determined for a number of vibrational levels of several states. The transitions between different Λ-S states are evaluated. Spectroscopic routines for observing these states are proposed. The spectroscopic parameters, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very reliable and can be used as guidelines for detecting these states in an appropriate spectroscopy experiment, especially for the states that were very difficult to observe or were not detected in previous experiments.

Controlled transition dipole alignment of energy donor and energy acceptor molecules in doped organic crystals, and the effect on intermolecular Förster energy transfer.

PubMed

Wang, Huan; Yue, Bailing; Xie, Zengqi; Gao, Bingrong; Xu, Yuanxiang; Liu, Linlin; Sun, Hongbo; Ma, Yuguang

2013-03-14

The orientation factor κ(2) ranging from 0 to 4, which depends on the relative orientation of the transition dipoles of the energy donor (D) and the energy acceptor (A) in space, is one of the pivotal factors deciding the efficiency and directionality of resonance energy transfer (RET) in a D-A molecular system. In this work, tetracene (Tc) and pentacene (Pc) are successfully doped in a trans-1,4-distyrylbenzene (DSB) crystalline lattice to form definite D-A mutually perpendicular transition dipole orientations. The cross D-A dipole arrangement results in an extremely small orientation factor, which is about two orders smaller than that in the disordered films. The energy transfer properties from the host (DSB) to the guest (Tc/Pc) were investigated in detail by steady-state as well as time-resolved fluorescence spectroscopy. Our experimental research results show that the small value of κ(2) allows less or partial energy transfer from the host (DSB) to the guest (Tc) in a wide range of guest concentration, with the Förster distance of around 1.5 nm. By controlling the doping concentrations in the Tc and Pc doubly doped DSB crystals, we demonstrate, as an example, for the first time the application of the restricted energy transfer by D-A cross transition dipole arrangement for preparation of a large-size, white-emissive organic crystal with the CIE coordinates of (0.36, 0.37) approaching an ideal white light. In contrast, Tc is also doped in an anthracene crystalline lattice to form head-to-tail D-A transition dipole alignment, which is proved to be highly effective to promote the intermolecular energy transfer. In this doped system, the orientation factor is relatively large and the Förster distance is around 7 nm.

Intensity transitions in Cyg XR-1 observed at high energies from OSO 8

NASA Technical Reports Server (NTRS)

Dolan, J. F.; Crannell, C. J.; Dennis, B. R.; Frost, K. J.; Orwig, L. E.

1977-01-01

The observed transitions at energies above 20 keV show that the spectrum of Cyg XR-1 exhibits the pivoting effect during intensity transitions expected from two-temperature accretion disk models of the X-ray emitting region. Cyg XR-1 was observed with the high-energy X-ray spectrometer on board the OSO-8 satellite from November 11-19, 1975 and from October 27 to November 15, 1976 (excluding the period from November 1 to November 7, 1976).

Strain controlled ferromagnetic-ferrimagnetic transition and vacancy formation energy of defective graphene.

PubMed

Zhang, Yajun; Sahoo, Mpk; Wang, Jie

2016-09-23

Single vacancy (SV)-induced magnetism in graphene has attracted much attention motivated by its potential in achieving new functionalities. However, a much higher vacancy formation energy limits its direct application in electronic devices and the dependency of spin interaction on the strain is unclear. Here, through first-principles density-functional theory calculations, we investigate the possibility of strain engineering towards lowering vacancy formation energy and inducing new magnetic states in defective graphene. It is found that the SV-graphene undergoes a phase transition from an initial ferromagnetic state to a ferrimagnetic state under a biaxial tensile strain. At the same time, the biaxial tensile strain significantly lowers the vacancy formation energy. The charge density, density of states and band theory successfully identify the origin and underlying physics of the transition. The predicted magnetic phase transition is attributed to the strain driven spin flipping at the C-atoms nearest to the SV-site. The magnetic semiconducting graphene induced by defect and strain engineering suggests an effective way to modulate both spin and electronic degrees of freedom in future spintronic devices.

Energy efficient engine: Turbine transition duct model technology report

NASA Technical Reports Server (NTRS)

Leach, K.; Thurlin, R.

1982-01-01

The Low-Pressure Turbine Transition Duct Model Technology Program was directed toward substantiating the aerodynamic definition of a turbine transition duct for the Energy Efficient Engine. This effort was successful in demonstrating an aerodynamically viable compact duct geometry and the performance benefits associated with a low camber low-pressure turbine inlet guide vane. The transition duct design for the flight propulsion system was tested and the pressure loss goal of 0.7 percent was verified. Also, strut fairing pressure distributions, as well as wall pressure coefficients, were in close agreement with analytical predictions. Duct modifications for the integrated core/low spool were also evaluated. The total pressure loss was 1.59 percent. Although the increase in exit area in this design produced higher wall loadings, reflecting a more aggressive aerodynamic design, pressure profiles showed no evidence of flow separation. Overall, the results acquired have provided pertinent design and diagnostic information for the design of a turbine transition duct for both the flight propulsion system and the integrated core/low spool.

Kinetics of First-Row Transition Metal Cations (V+, Fe+, Co+) with OCS at Thermal Energies.

PubMed

Sweeny, Brendan C; Ard, Shaun G; Shuman, Nicholas S; Viggiano, Albert A

2018-05-03

The temperature-dependent kinetics for reactions of V + , Fe + , and Co + with OCS are measured using a selected ion flow tube apparatus heated to 300-600 K. All three reactions proceed solely by C-S activation at thermal energies, resulting in metal sulfide cation formation. Previously calculated reaction pathways were employed to inform statistical modeling of these reactions for comparison to the data. As surmised previously, all three reactions at thermal energies require spin crossing, with the Fe + reaction crossing once circumventing a prohibitive transition state, before crossing again to form ground state products. The Fe + and Co + reaction efficiencies increase with energy. For the Co + reaction, and to a lesser extent the Fe + reaction, the apparent activation energies are less than the reaction endothermicities, possibly indicating increasing diabatic behavior of the spin crossings with energy. The V + reaction was well modeled assuming an entirely adiabatic spin crossing, such that the resultant avoided crossing behaves similarly to a tight transition state. The subsequent reaction of VS + with OCS producing VS 2 + is also investigated; the rate-limiting transition state energy derived from statistical modeling is poorly reproduced by quantum calculations using a variety of methods, highlighting the large (1-2 eV) uncertainty in calculated energetics of transition-metal containing species.

Energy Transition Initiative, Island Energy Snapshot - British Virgin Islands (Fact Sheet)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

2015-03-01

This profile provides a snapshot of the energy landscape of the British Virgin Islands (BVI), one of three sets of the Virgin Island territories in an archipelago making up the northern portion of the Lesser Antilles.

Energy levels and radiative rates for transitions in Co XI

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Keenan, F. P.; Msezane, A. Z.

2007-10-01

Aims: In this paper we report calculations for energy levels and radiative rates for transitions in Co xi. Methods: The General purpose Relativistic Atomic Structure Package (grasp) and the Flexible Atomic Code (fac) have been adopted for the calculations of energy levels and radiative rates. Results: Energies for the lowest 287 levels of Co xi, including those among the (1s^22s^22p^6) 3s^23p^5, 3s3p^6, 3s^23p^43d, 3s3p^53d, 3s^23p^33d^2, and 3s^23p^44s configurations, are reported. Additionally, radiative rates and oscillator strengths are reported for all electric dipole (E1) transitions with f ≥ 10-5 among these levels, and similar results for magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions are reported only for those with f≥10-8. Comparisons are made with the available results in the literature, and the accuracy of the present data is assessed. Finally, lifetimes for all excited levels are also listed, although measurements are presently available for only one of these. Tables 1 and 3-6 are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/473/995

Recalculation of the infrared continuum spectrum of the lowest energy triplet transitions in K2

NASA Astrophysics Data System (ADS)

Ligare, Martin; Edmonds, J. Brent

1991-09-01

The observation and identification of the spectra arising from transitions between the lowest energy triplet electronic states of diatomic potassium molecules were made by Huennekens et al. [J. Chem. Phys. 80, 4794 (1984)]. In this letter we recalculate theoretical spectra for these transitions using quasistatic line broadening theory and the recently published ab initio potential energy curves of Jeung and Ross [J. Phys. B 21, 1473 (1988)]. The calculated satellite of the 3Σ+g-3Σ+u transition occurs at 1.105 μm while the satellite is experimentally observed at 1.096 μm. This improved agreement both solidifies the original identification of Huennekens et al. and indicates the accuracy of the recent potential energy curves of Jeung and Ross for the low energy triplet states.

Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations

PubMed Central

Lapelosa, Mauro; Gallicchio, Emilio; Levy, Ronald M.

2011-01-01

The Binding Energy Distribution Analysis Method (BEDAM) is employed to compute the standard binding free energies of a series of ligands to a FK506 binding protein (FKBP12) with implicit solvation. Binding free energy estimates are in reasonably good agreement with experimental affinities. The conformations of the complexes identified by the simulations are in good agreement with crystallographic data, which was not used to restrain ligand orientations. The BEDAM method is based on λ -hopping Hamiltonian parallel Replica Exchange (HREM) molecular dynamics conformational sampling, the OPLS-AA/AGBNP2 effective potential, and multi-state free energy estimators (MBAR). Achieving converged and accurate results depends on all of these elements of the calculation. Convergence of the binding free energy is tied to the level of convergence of binding energy distributions at critical intermediate states where bound and unbound states are at equilibrium, and where the rate of binding/unbinding conformational transitions is maximal. This finding mirrors similar observations in the context of order/disorder transitions as for example in protein folding. Insights concerning the physical mechanism of ligand binding and unbinding are obtained. Convergence for the largest FK506 ligand is achieved only after imposing strict conformational restraints, which however require accurate prior structural knowledge of the structure of the complex. The analytical AGBNP2 model is found to underestimate the magnitude of the hydrophobic driving force towards binding in these systems characterized by loosely packed protein-ligand binding interfaces. Rescoring of the binding energies using a numerical surface area model corrects this deficiency. This study illustrates the complex interplay between energy models, exploration of conformational space, and free energy estimators needed to obtain robust estimates from binding free energy calculations. PMID:22368530

Save Money and the Planet: Make Your School Energy Efficient.

ERIC Educational Resources Information Center

Lewis, Eleanor J.; Weltman, Eric

1993-01-01

Examines ways in which schools can cut their energy costs. Suggestions are provided for making school lighting more efficient, conducting a life-cycle cost analysis to facilitate energy efficiency, and developing funding for implementing energy-efficient projects. (GLR)

Dynamics Sampling in Transition Pathway Space.

PubMed

Zhou, Hongyu; Tao, Peng

2018-01-09

The minimum energy pathway contains important information describing the transition between two states on a potential energy surface (PES). Chain-of-states methods were developed to efficiently calculate minimum energy pathways connecting two stable states. In the chain-of-states framework, a series of structures are generated and optimized to represent the minimum energy pathway connecting two states. However, multiple pathways may exist connecting two existing states and should be identified to obtain a full view of the transitions. Therefore, we developed an enhanced sampling method, named as the direct pathway dynamics sampling (DPDS) method, to facilitate exploration of a PES for multiple pathways connecting two stable states as well as addition minima and their associated transition pathways. In the DPDS method, molecular dynamics simulations are carried out on the targeting PES within a chain-of-states framework to directly sample the transition pathway space. The simulations of DPDS could be regulated by two parameters controlling distance among states along the pathway and smoothness of the pathway. One advantage of the chain-of-states framework is that no specific reaction coordinates are necessary to generate the reaction pathway, because such information is implicitly represented by the structures along the pathway. The chain-of-states setup in a DPDS method greatly enhances the sufficient sampling in high-energy space between two end states, such as transition states. By removing the constraint on the end states of the pathway, DPDS will also sample pathways connecting minima on a PES in addition to the end points of the starting pathway. This feature makes DPDS an ideal method to directly explore transition pathway space. Three examples demonstrate the efficiency of DPDS methods in sampling the high-energy area important for reactions on the PES.

Making dialogue with an existential voice in transition from military to civilian life

PubMed Central

Grimell, Jan

2017-01-01

Dialogical Self Theory has contributed to the endeavors to map and grid self-identity work in transition from military to civilian life throughout an empirical and longitudinal research project which focuses on existential dimensions. This article is based on a case study from this project and centers upon Sergeant Jonas, who, upon his return from deployment in Afghanistan, struggled with his transition as a new existential position was vocalized throughout the following annual interviews. This voice narrated feelings of meaninglessness, emptiness, and of having been deceived. In turn, this existential voice required an answer to a question which apparently had no answer. The meaning-making eventually evolved into an acceptance which enabled Jonas to proceed with his life. Dialogical processes between positions are important in order to go on with life amid existential concerns in the aftermath of military service since dialogicality of the self opens up a complex of dynamics of meaning-making processes, negotiations, and transformations. Based on the findings, it is suggested that the Personal Position Repertoire could potentially be strengthened by the addition of an internal existential position to its standard repertoire, at least when working with military personnel and/or veterans. PMID:29249868

Optimal strategies for electric energy contract decision making

NASA Astrophysics Data System (ADS)

Song, Haili

2000-10-01

The power industry restructuring in various countries in recent years has created an environment where trading of electric energy is conducted in a market environment. In such an environment, electric power companies compete for the market share through spot and bilateral markets. Being profit driven, electric power companies need to make decisions on spot market bidding, contract evaluation, and risk management. New methods and software tools are required to meet these upcoming needs. In this research, bidding strategy and contract pricing are studied from a market participant's viewpoint; new methods are developed to guide a market participant in spot and bilateral market operation. A supplier's spot market bidding decision is studied. Stochastic optimization is formulated to calculate a supplier's optimal bids in a single time period. This decision making problem is also formulated as a Markov Decision Process. All the competitors are represented by their bidding parameters with corresponding probabilities. A systematic method is developed to calculate transition probabilities and rewards. The optimal strategy is calculated to maximize the expected reward over a planning horizon. Besides the spot market, a power producer can also trade in the bilateral markets. Bidding strategies in a bilateral market are studied with game theory techniques. Necessary and sufficient conditions of Nash Equilibrium (NE) bidding strategy are derived based on the generators' cost and the loads' willingness to pay. The study shows that in any NE, market efficiency is achieved. Furthermore, all Nash equilibria are revenue equivalent for the generators. The pricing of "Flexible" contracts, which allow delivery flexibility over a period of time with a fixed total amount of electricity to be delivered, is analyzed based on the no-arbitrage pricing principle. The proposed algorithm calculates the price based on the optimality condition of the stochastic optimization formulation

Transitional behavior of different energy protons based on Van Allen Probes observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yue, Chao; Bortnik, Jacob; Chen, Lunjin

Understanding the dynamical behavior of ~1 eV to 50 keV ions and identifying the energies at which the morphologies transit are important in that they involve the relative intensities and distributions of the large-scale electric and magnetic fields, the outflow, and recombination rates. However, there have been only few direct observational investigations of the transition in drift behaviors of different energy ions before the Van Allen Probes era. In this paper, we statistically analyze ~1 eV to 50 keV hydrogen (H +) differential flux distributions near geomagnetic equator by using Van Allen Probes observations to investigate the H + dynamicsmore » under the regulation of large-scale electric and magnetic fields. Our survey clearly indicates three types of H + behaviors within different energy ranges, which is consistent with previous theory predictions. Finally, using simple electric and magnetic field models in UBK coordinates, we have further constrained the source regions of different energy ions and their drift directions.« less

Transitional behavior of different energy protons based on Van Allen Probes observations

DOE PAGES

Yue, Chao; Bortnik, Jacob; Chen, Lunjin; ...

2016-12-09

Understanding the dynamical behavior of ~1 eV to 50 keV ions and identifying the energies at which the morphologies transit are important in that they involve the relative intensities and distributions of the large-scale electric and magnetic fields, the outflow, and recombination rates. However, there have been only few direct observational investigations of the transition in drift behaviors of different energy ions before the Van Allen Probes era. In this paper, we statistically analyze ~1 eV to 50 keV hydrogen (H +) differential flux distributions near geomagnetic equator by using Van Allen Probes observations to investigate the H + dynamicsmore » under the regulation of large-scale electric and magnetic fields. Our survey clearly indicates three types of H + behaviors within different energy ranges, which is consistent with previous theory predictions. Finally, using simple electric and magnetic field models in UBK coordinates, we have further constrained the source regions of different energy ions and their drift directions.« less

Make Energy at the Bay Area Maker Faire

ScienceCinema

None

2018-01-16

Think. Make. Innovate. A festival of invention, creativity and resourcefulness that gathers makers of all kinds. Scientists are seeking to find innovative solutions to the energy challenges in the world.

Hybrid radical energy storage device and method of making

DOEpatents

Gennett, Thomas; Ginley, David S.; Braunecker, Wade; Ban, Chunmei; Owczarczyk, Zbyslaw

2016-04-26

Hybrid radical energy storage devices, such as batteries or electrochemical devices, and methods of use and making are disclosed. Also described herein are electrodes and electrolytes useful in energy storage devices, for example, radical polymer cathode materials and electrolytes for use in organic radical batteries.

Hybrid radical energy storage device and method of making

DOEpatents

Gennett, Thomas; Ginley, David S; Braunecker, Wade; Ban, Chunmei; Owczarczyk, Zbyslaw

2015-01-27

Hybrid radical energy storage devices, such as batteries or electrochemical devices, and methods of use and making are disclosed. Also described herein are electrodes and electrolytes useful in energy storage devices, for example, radical polymer cathode materials and electrolytes for use in organic radical batteries.

A benchmark for reaction coordinates in the transition path ensemble

PubMed Central

2016-01-01

The molecular mechanism of a reaction is embedded in its transition path ensemble, the complete collection of reactive trajectories. Utilizing the information in the transition path ensemble alone, we developed a novel metric, which we termed the emergent potential energy, for distinguishing reaction coordinates from the bath modes. The emergent potential energy can be understood as the average energy cost for making a displacement of a coordinate in the transition path ensemble. Where displacing a bath mode invokes essentially no cost, it costs significantly to move the reaction coordinate. Based on some general assumptions of the behaviors of reaction and bath coordinates in the transition path ensemble, we proved theoretically with statistical mechanics that the emergent potential energy could serve as a benchmark of reaction coordinates and demonstrated its effectiveness by applying it to a prototypical system of biomolecular dynamics. Using the emergent potential energy as guidance, we developed a committor-free and intuition-independent method for identifying reaction coordinates in complex systems. We expect this method to be applicable to a wide range of reaction processes in complex biomolecular systems. PMID:27059559

Measurements of the spectrum and energy dependence of X-ray transition radiation

NASA Technical Reports Server (NTRS)

Cherry, M. L.

1978-01-01

The results of experiments designed to test the theory of X-ray transition radiation and to verify the predicted dependence of the characteristic features of the radiation on the radiator dimensions are presented. The X-ray frequency spectrum produced by 5- to 9-GeV electrons over the range 4 to 30 keV was measured with a calibrated single-crystal Bragg spectrometer, and at frequencies up to 100 keV with an NaI scintillator. The interference pattern in the spectrum and the hardening of the radiation with increasing foil thickness are clearly observed. The energy dependence of the total transition-radiation intensity was studied using a radiator with large dimensions designed to yield energy-dependent signals at very high particle energies, up to E/mc-squared approximately equal to 100,000. The results are in good agreement with the theoretical predictions.

Energy and Greenhouse Gas Emissions in China: Growth, Transition, and Institutional Change

NASA Astrophysics Data System (ADS)

Kahrl, Fredrich James

support further improvements in efficiency and scale up renewable generation at an acceptable level of cost and reliability. Chapter 6 examines energy use and GHG emissions from nitrogen fertilizer use, arguing that energy use and GHG emissions from nitrogen fertilizer use in China are high relative to other countries because of China's historical support for small and medium-sized enterprises using domestic technology; its continued provision of energy subsidies to fertilizer producers; and its lack of a well-functioning agricultural extension system. The case studies illustrate the limits of energy and climate policy in China without institutional reform. China's leaders have historically relied on economic growth to defer the difficult changes in political economy that accompany economic and social transition. However, many of the challenges of energy and climate policy require political decisions that reallocate resources among stakeholders. For instance, restructuring the Chinese economy away from heavy industrial investment and toward a higher GDP share of consumption will require financial sector reforms, such as interest rate liberalization or higher dividend payments for state-owned enterprises, that reallocate income from the industrial sector to households. Increasing power system flexibility will require price reforms that reallocate revenues and costs among generators, between generators and the grid companies, between producers and ratepayers, among ratepayer classes, and between and among provinces. Strong public interest institutions are needed to make these changes, which suggests that China's energy and GHG emissions trajectories will be determined, to a large extent, by the politics of institutional reform.

Absorbing phase transitions in deterministic fixed-energy sandpile models

NASA Astrophysics Data System (ADS)

Park, Su-Chan

2018-03-01

We investigate the origin of the difference, which was noticed by Fey et al. [Phys. Rev. Lett. 104, 145703 (2010), 10.1103/PhysRevLett.104.145703], between the steady state density of an Abelian sandpile model (ASM) and the transition point of its corresponding deterministic fixed-energy sandpile model (DFES). Being deterministic, the configuration space of a DFES can be divided into two disjoint classes such that every configuration in one class should evolve into one of absorbing states, whereas no configurations in the other class can reach an absorbing state. Since the two classes are separated in terms of toppling dynamics, the system can be made to exhibit an absorbing phase transition (APT) at various points that depend on the initial probability distribution of the configurations. Furthermore, we show that in general the transition point also depends on whether an infinite-size limit is taken before or after the infinite-time limit. To demonstrate, we numerically study the two-dimensional DFES with Bak-Tang-Wiesenfeld toppling rule (BTW-FES). We confirm that there are indeed many thresholds. Nonetheless, the critical phenomena at various transition points are found to be universal. We furthermore discuss a microscopic absorbing phase transition, or a so-called spreading dynamics, of the BTW-FES, to find that the phase transition in this setting is related to the dynamical isotropic percolation process rather than self-organized criticality. In particular, we argue that choosing recurrent configurations of the corresponding ASM as an initial configuration does not allow for a nontrivial APT in the DFES.

Absorbing phase transitions in deterministic fixed-energy sandpile models.

PubMed

Park, Su-Chan

2018-03-01

We investigate the origin of the difference, which was noticed by Fey et al. [Phys. Rev. Lett. 104, 145703 (2010)PRLTAO0031-900710.1103/PhysRevLett.104.145703], between the steady state density of an Abelian sandpile model (ASM) and the transition point of its corresponding deterministic fixed-energy sandpile model (DFES). Being deterministic, the configuration space of a DFES can be divided into two disjoint classes such that every configuration in one class should evolve into one of absorbing states, whereas no configurations in the other class can reach an absorbing state. Since the two classes are separated in terms of toppling dynamics, the system can be made to exhibit an absorbing phase transition (APT) at various points that depend on the initial probability distribution of the configurations. Furthermore, we show that in general the transition point also depends on whether an infinite-size limit is taken before or after the infinite-time limit. To demonstrate, we numerically study the two-dimensional DFES with Bak-Tang-Wiesenfeld toppling rule (BTW-FES). We confirm that there are indeed many thresholds. Nonetheless, the critical phenomena at various transition points are found to be universal. We furthermore discuss a microscopic absorbing phase transition, or a so-called spreading dynamics, of the BTW-FES, to find that the phase transition in this setting is related to the dynamical isotropic percolation process rather than self-organized criticality. In particular, we argue that choosing recurrent configurations of the corresponding ASM as an initial configuration does not allow for a nontrivial APT in the DFES.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Neutral Vanadium (V i)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of the neutral vanadium atom, V i, have been compiled. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factors and leading percentage compositions for the levels are included where available, as well as wavelengths calculated from the energy levels (Ritz wavelengths). Wavelengths are reported for 3985 transitions, and 549 energy levels are determined. The observed relative intensities normalized to a common scale are provided.

Phase Transition to Exact Susy

NASA Astrophysics Data System (ADS)

Clavelli, L.

2007-04-01

The anthropic principle is based on the observation that, within narrow bounds, the laws of physics are such as to have allowed the evolution of life. The string theoretic approach to understanding this observation is based on the expectation that the effective potential has an enormous number of local minima with different particle masses and perhaps totally different fundamental couplings and space time topology. The vast majority of these alternative universes are totally inhospitable to life, having, for example, vacuum energies near the natural (Planck) scale. The statistics, however, are assumed to be such that a few of these local minima (and not more) have a low enough vacuum energy and suitable other properties to support life. In the inflationary era, the "multiverse" made successive transitions between the available minima until arriving at our current state of low vacuum energy. String theory, however, also suggests that the absolute minimum of the effective potential is exactly supersymmetric. Questions then arise as to why the inflationary era did not end by a transition to one of these, when will the universe make the phase transition to the exactly supersymmetric ground state, and what will be the properties of this final state.

Pressure dependence of transverse acoustic phonon energy in ferropericlase across the spin transition.

PubMed

Fukui, Hiroshi; Baron, Alfred Q R; Ishikawa, Daisuke; Uchiyama, Hiroshi; Ohishi, Yasuo; Tsuchiya, Taku; Kobayashi, Hisao; Matsuzaki, Takuya; Yoshino, Takashi; Katsura, Tomoo

2017-06-21

We investigated transverse acoustic (TA) phonons in iron-bearing magnesium oxide (ferropericlase) up to 56 GPa using inelastic x-ray scattering (IXS). The results show that the energy of the TA phonon far from the Brillouin zone center suddenly increases with increasing pressure above the spin transition pressure of ferropericlase. Ab initio calculations revealed that the TA phonon energy far from the Brillouin zone center is higher in the low-spin state than in the high spin state; that the TA phonon energy depend weakly on pressure; and that the energy gap between the TA and the lowest-energy-optic phonons is much narrower in the low-spin state than in the high-spin state. This allows us to conclude that the anomalous behavior of the TA mode in the present experiments is the result of gap narrowing due to the spin transition and explains contradictory results in previous experimental studies.

Effects of Low-Energy Excitations on Spectral Properties at Higher Binding Energy: The Metal-Insulator Transition of VO2

NASA Astrophysics Data System (ADS)

Gatti, Matteo; Panaccione, Giancarlo; Reining, Lucia

2015-03-01

The effects of electron interaction on spectral properties can be understood in terms of coupling between excitations. In transition-metal oxides, the spectral function close to the Fermi level and low-energy excitations between d states have attracted particular attention. In this work we focus on photoemission spectra of vanadium dioxide over a wide (10 eV) range of binding energies. We show that there are clear signatures of the metal-insulator transition over the whole range due to a cross coupling of the delocalized s and p states with low-energy excitations between the localized d states. This coupling can be understood by advanced calculations based on many-body perturbation theory in the G W approximation. We also advocate the fact that tuning the photon energy up to the hard-x-ray range can help to distinguish fingerprints of correlation from pure band-structure effects.

A space bourne crystal diffraction telescope for the energy range of nuclear transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

von Ballmoos, P.; Naya, J.E.; Albernhe, F.

1995-10-01

Recent experimental work of the Toulouse-Argonne collaboration has opened for perspective of a focusing gamma-ray telescope operating in the energy range of nuclear transitions, featuring unprecedented sensitivity, angular and energy resolution. The instrument consists of a tunable crystal diffraction lens situated on a stabilized spacecraft, focusing gamma-rays onto a small array of Germanium detectors perched on an extendible boom. While the weight of such an instrument is less than 500 kg, it features an angular resolution of 15 in., an energy resolution of 2 keV and a 3 {sigma} narrow line sensitivity of a few times 10{sup {minus}7} photons s{supmore » {minus}1} cm{sup {minus}2} (10{sup 6} sec observation). This instrumental concept permits observation of any identified source at any selected line-energy in a range of typically 200 keV to 1300 keV. The resulting ``sequential`` operation mode makes sites of explosive nucleosynthesis natural scientific objectives for such a telescope: the nuclear lines of extragalactic supernovae ({sup 56}Ni, {sup 44}Ti, {sup 60}Fe) and galactic novae (p{sup {minus}}p{sup +} line, {sup 7}Be) are accessible to observation, one at a time, due to the erratic appearance and the sequence of half-lifes of these events. Other scientific objectives, include the narrow 511 keV line from galactic broad class annihilators (such as 1E1740-29, nova musca) and possible redshifted annihilation lines from AGN`s.« less

Efficient Geometry Minimization and Transition Structure Optimization Using Interpolated Potential Energy Surfaces and Iteratively Updated Hessians.

PubMed

Zheng, Jingjing; Frisch, Michael J

2017-12-12

An efficient geometry optimization algorithm based on interpolated potential energy surfaces with iteratively updated Hessians is presented in this work. At each step of geometry optimization (including both minimization and transition structure search), an interpolated potential energy surface is properly constructed by using the previously calculated information (energies, gradients, and Hessians/updated Hessians), and Hessians of the two latest geometries are updated in an iterative manner. The optimized minimum or transition structure on the interpolated surface is used for the starting geometry of the next geometry optimization step. The cost of searching the minimum or transition structure on the interpolated surface and iteratively updating Hessians is usually negligible compared with most electronic structure single gradient calculations. These interpolated potential energy surfaces are often better representations of the true potential energy surface in a broader range than a local quadratic approximation that is usually used in most geometry optimization algorithms. Tests on a series of large and floppy molecules and transition structures both in gas phase and in solutions show that the new algorithm can significantly improve the optimization efficiency by using the iteratively updated Hessians and optimizations on interpolated surfaces.

Superconducting transition detectors for low-energy gamma-ray astrophysics

NASA Astrophysics Data System (ADS)

Kurfess, J. D.; Johnson, W. N.; Fritz, G. G.; Strickman, M. S.; Kinzer, R. L.; Jung, G.; Drukier, A. K.; Chmielowski, M.

1990-08-01

A program to investigate superconducting devices such as STDs for use in high-resolution Compton telescopes and coded-aperture detectors is presented. For higher energy applications, techniques are investigated with potential for scaling to large detectors, while also providing excellent energy and positional resolution. STDs are discussed, utilizing a uniform array of spherical granules tens of microns in diameter. The typical temperature-magnetic field phase for a low-temperature superconductor, the signal produced by the superconducting-normal transition in the 32-m diameter Sn granule, and the temperature history of an STD granule following heating by an ionizing particle are illustrated.

First-Year Student Experiences in Community College: Making Transitions, Forming Connections, and Developing Perceptions of Student Learning. Draft.

ERIC Educational Resources Information Center

Jalomo, Romero Espinoza, Jr.

This paper provides theoretical background and methodology for a focus group study of influences on first-time Latino community college students. The first chapter identifies the need for research on Latino students, citing high attrition rates and focusing on three critical dynamics: making the transition to college, making connections on campus…

Leveraging the water-energy-food nexus for a sustainability transition: Institutional and policy design choices in a fragmented world (Invited)

NASA Astrophysics Data System (ADS)

Aggarwal, R.

2013-12-01

Given the critical - but often subtle - feedbacks between water, energy, and food security, a nexus approach that integrates management and governance across sectors and scales is increasingly being advocated in research and policy circles. As a first step, such an approach calls for an integrated multi-disciplinary assessment of the externalities across sectors and tradeoffs involved in enhancing security in one sector on the other sectors. Recent research efforts have focused on understanding these tradeoffs, say, through estimating the energy costs of expanding irrigation for greater food security; or estimating the embodied land and water costs in increased energy production. While such efforts have increased awareness about the inter-connectedness of such issues, the fundamental question of how such an understanding influences decision-making and how it can lead to coordinated action towards a transition to more sustainable pathways still remains largely unanswered. The long legacy of sectoral organization of political and bureaucratic structures has led to a fragmentary policy and institutional landscape, on which cross-sectoral public action and coordination poses several challenges. Moreover, poorly defined property rights, imperfect or absent markets, and uncertainty about resource dynamics imply that economic signals about relative scarcity in one sector are not necessarily clear to decision makers in the other sectors. In this study, we examine these issues related to water-energy food nexus in the context of semi-arid groundwater irrigated regions of western and southern India. Using a social-ecological systems framework, we begin by characterizing some of the key inter-dependencies among food, water, and energy at the farm household, village and state level. We then examine the factors that influence decision-making at these levels, and the extent to which these decisions internalize the externalities. Specifically, we examine the role of energy

Modeling and control of distributed energy systems during transition between grid connected and standalone modes

NASA Astrophysics Data System (ADS)

Arafat, Md Nayeem

Distributed generation systems (DGs) have been penetrating into our energy networks with the advancement in the renewable energy sources and energy storage elements. These systems can operate in synchronism with the utility grid referred to as the grid connected (GC) mode of operation, or work independently, referred to as the standalone (SA) mode of operation. There is a need to ensure continuous power flow during transition between GC and SA modes, referred to as the transition mode, in operating DGs. In this dissertation, efficient and effective transition control algorithms are developed for DGs operating either independently or collectively with other units. Three techniques are proposed in this dissertation to manage the proper transition operations. In the first technique, a new control algorithm is proposed for an independent DG which can operate in SA and GC modes. The proposed transition control algorithm ensures low total harmonic distortion (THD) and less voltage fluctuation during mode transitions compared to the other techniques. In the second technique, a transition control is suggested for a collective of DGs operating in a microgrid system architecture to improve the reliability of the system, reduce the cost, and provide better performance. In this technique, one of the DGs in a microgrid system, referred to as a dispatch unit , takes the additional responsibility of mode transitioning to ensure smooth transition and supply/demand balance in the microgrid. In the third technique, an alternative transition technique is proposed through hybridizing the current and droop controllers. The proposed hybrid transition control technique has higher reliability compared to the dispatch unit concept. During the GC mode, the proposed hybrid controller uses current control. During the SA mode, the hybrid controller uses droop control. During the transition mode, both of the controllers participate in formulating the inverter output voltage but with different

Reducing fatigue damage for ships in transit through structured decision making

USGS Publications Warehouse

Nichols, J.M.; Fackler, P.L.; Pacifici, K.; Murphy, K.D.; Nichols, J.D.

2014-01-01

Research in structural monitoring has focused primarily on drawing inference about the health of a structure from the structure’s response to ambient or applied excitation. Knowledge of the current state can then be used to predict structural integrity at a future time and, in principle, allows one to take action to improve safety, minimize ownership costs, and/or increase the operating envelope. While much time and effort has been devoted toward data collection and system identification, research to-date has largely avoided the question of how to choose an optimal maintenance plan. This work describes a structured decision making (SDM) process for taking available information (loading data, model output, etc.) and producing a plan of action for maintaining the structure. SDM allows the practitioner to specify his/her objectives and then solves for the decision that is optimal in the sense that it maximizes those objectives. To demonstrate, we consider the problem of a Naval vessel transiting a fixed distance in varying sea-state conditions. The physics of this problem are such that minimizing transit time increases the probability of fatigue failure in the structural supports. It is shown how SDM produces the optimal trip plan in the sense that it minimizes both transit time and probability of failure in the manner of our choosing (i.e., through a user-defined cost function). The example illustrates the benefit of SDM over heuristic approaches to maintaining the vessel.

Burning to Detonation Transition in Porous Beds of a High Energy Propellant

DTIC Science & Technology

1979-11-01

deflagration to detonation transition (DDT) behavior of porous charges of a high-energy propellant (VL-U) has been stualed at both high and low...transition (DDT) behavior of porous charges of a high-eneryy propellant (VLU) has been studied at both high confinement (steel tube) and low confinement...plastic tube). The physical nature of thet propellant ised to construct the porous beds was varied: shredded, powdered CI ,-: and cuboid materials were

Energy barriers between metastable states in first-order quantum phase transitions

NASA Astrophysics Data System (ADS)

Wald, Sascha; Timpanaro, André M.; Cormick, Cecilia; Landi, Gabriel T.

2018-02-01

A system of neutral atoms trapped in an optical lattice and dispersively coupled to the field of an optical cavity can realize a variation of the Bose-Hubbard model with infinite-range interactions. This model exhibits a first-order quantum phase transition between a Mott insulator and a charge density wave, with spontaneous symmetry breaking between even and odd sites, as was recently observed experimentally [Landig et al., Nature (London) 532, 476 (2016), 10.1038/nature17409]. In the present paper, we approach the analysis of this transition using a variational model which allows us to establish the notion of an energy barrier separating the two phases. Using a discrete WKB method, we then show that the local tunneling of atoms between adjacent sites lowers this energy barrier and hence facilitates the transition. Within our simplified description, we are thus able to augment the phase diagram of the model with information concerning the height of the barrier separating the metastable minima from the global minimum in each phase, which is an essential aspect for the understanding of the reconfiguration dynamics induced by a quench across a quantum critical point.

Industrial Technologies Program - Manufacturing Workforce for a Clean Energy Economy (Green Jobs)

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2010-05-01

Making the transition to a clean energy economy will strengthen our energy security, improve the environment, and create jobs. In 2009, Congress passed a stimulus package to help jump-start all sectors of the U.S. economy and accelerate this transition.

Theoretical studies of the transition state structures and free energy barriers for base-catalyzed hydrolysis of amides

PubMed Central

Xiong, Ying; Zhan, Chang-Guo

2010-01-01

The transition state structures and free energy barriers for the rate-determining step (i.e. the formation of a tetrahedral intermediate) of base-catalyzed hydrolysis of a series of amides in aqueous solution have been studied by performing first-principle electronic structure calculations using a hybrid supermolecule-polarizable continuum approach. The calculated results and a revisit of recently reported experimental proton inventory data reveal that the favorable transition state structure optimized for the tetrahedral intermediate formation of hydroxide ion-catalyzed hydrolysis of formamide may have three solvating water molecules remaining on the attacking hydroxide oxygen and two additional water molecules attached to the carbonyl oxygen of formamide. The calculated results have also demonstrated interesting substituent effects on the optimized transition state geometries, on the transition-state stabilization, and on the calculated free energy barriers for the base-catalyzed hydrolysis of amides. When some or all of the hydrogen atoms of formamide are replaced by methyl groups, the total number of water molecules hydrogen-bonding with the attacking hydroxide in the transition state decreases from three for formamide to two for N-methylacetamide, N,N-dimethylformamide (DMF), and N,N-dimethylacetamide (DMA). The larger substituents of the amide hinder the solvent water molecules approaching the attacking hydroxide oxygen in the transition state and, therefore, destabilize the transition state structure and increase the free energy barrier. By using the optimized most favorable transition state structures, the calculated free energy barriers, i.e. 21.6 (or 21.7), 22.7, 23.1, and 26.0 kcal/mol for formamide, N-methylacetamide, DMF, and DMA, respectively, are in good agreement with the available experimental free energy barriers, i.e. 21.2, 21.5, 22.6, and 24.1 kcal/mol for formamide, N-methylacetamide, DMF, and DMA, respectively. PMID:17107116

The IUPAC Database of Rotational-Vibrational Energy Levels and Transitions of Water Isotopologues from Experiment and Theory

NASA Astrophysics Data System (ADS)

Császár, Attila G.; Furtenbacher, T.; Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.

2014-06-01

The results of an IUPAC Task Group formed in 2004 on "A Database of Water Transitions from Experiment and Theory" (Project No. 2004-035-1-100) are presented. Energy levels and recommended labels involving exact and approximate quantum numbers for the main isotopologues of water in the gas phase, H216O, H218O, H217O, HD16O, HD18O, HD17O, D216O, D218O, and D217O, are determined from measured transition wavenumbers. The transition wavenumbers and energy levels are validated using the MARVEL (measured active rotational-vibrational energy levels) approach and first-principles nuclear motion computations. The extensive data, e.g., more than 200,000 transitions have been handled for H216O, including lines and levels that are required for analysis and synthesis of spectra, thermochemical applications, the construction of theoretical models, and the removal of spectral contamination by ubiquitous water lines. These datasets can also be used to assess where measurements are lacking for each isotopologue and to provide accurate frequencies for many yet-to-be measured transitions. The lack of high-quality frequency calibration standards in the near infrared is identified as an issue that has hindered the determination of high-accuracy energy levels at higher frequencies. The generation of spectra using the MARVEL energy levels combined with transition intensities computed using high accuracy ab initio dipole moment surfaces are discussed.

Transition between inverse and direct energy cascades in multiscale optical turbulence

DOE PAGES

Malkin, V. M.; Fisch, N. J.

2018-03-06

Transition between inverse and direct energy cascades in multiscale optical turbulence. Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a singlemore » scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.« less

Computer Series 41: Potential-Energy Surfaces and Transition-State Theory.

ERIC Educational Resources Information Center

Moss, S. J.; Coady, C. J.

1983-01-01

Describes computer programs involving the London-Eyring-Polany-Sato method (LEPS). The programs provide a valuable means of introducing students to potential energy surfaces and to the foundations of transition state theory. Program listings (with copies of student scripts) or programs on DOS 3.3 disc are available from authors. (JN)

Bi-Level Decision Making for Supporting Energy and Water Nexus

NASA Astrophysics Data System (ADS)

Zhang, X.; Vesselinov, V. V.

2016-12-01

The inseparable relationship between energy production and water resources has led to the emerging energy-water nexus concept, which provides a means for integrated management and decision making of these two critical resources. However, the energy-water nexus frequently involves decision makers with different and competing management objectives. Furthermore, there is a challenge that decision makers and stakeholders might be making decisions sequentially from a higher level to a lower level, instead of at the same decision level, whereby the objective of a decision maker at a higher level should be satisfied first. In this study, a bi-level decision model is advanced to handle such decision-making situations for managing the energy-water nexus. The work represents a unique contribution to developing an integrated decision-support framework/tool to quantify and analyze the tradeoffs between the two-level energy-water nexus decision makers. Here, plans for electricity generation, fuel supply, water supply, capacity expansion of the power plants and environmental impacts are optimized to provide effective decision support. The developed decision-support framework is implemented in Julia (a high-level, high-performance dynamic programming language for technical computing) and is a part of the MADS (Model Analyses & Decision Support) framework (http://mads.lanl.gov). To demonstrate the capabilities of the developed methodology, a series of analyses are performed for synthetic problems consistent with actual real-world energy-water nexus management problems.

Examining Longitudinal Relationships between Dysfunctional Career Thoughts and Career Decision-Making Self-Efficacy in School-to-Work Transition

ERIC Educational Resources Information Center

Kim, Boyoung; Lee, Bo Hyun; Ha, Gyuyoung; Lee, Hong Kwon; Lee, Sang Min

2015-01-01

This study examines the role of dysfunctional career thoughts between two-wave longitudinal data (Time 1 and Time 2) in career decision-making self-efficacy during school-to-work transition periods. Career decision-making self-efficacy was measured before (Time 1) and after college graduation (Time 2). The results indicated that the growth of…

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V II)

NASA Astrophysics Data System (ADS)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V II, have been compiled. The experimentally derived energy levels belong to the configurations 3d 4, 3d 3 ns (n = 4, 5, 6), 3d 3 np, and 3d 3 nd (n = 4, 5), 3d 34f, 3d 24s 2, and 3d 24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm-1, corresponding to 14.634(7) eV. This is 130 cm-1 higher than the previously recommended value from Iglesias et al.

Hydrogen and dihydrogen bonding of transition metal hydrides

NASA Astrophysics Data System (ADS)

Jacobsen, Heiko

2008-04-01

Intermolecular interactions between a prototypical transition metal hydride WH(CO) 2NO(PH 3) 2 and a small proton donor H 2O have been studied using DFT methodology. The hydride, nitrosyl and carbonyl ligand have been considered as site of protonation. Further, DFT-D calculations in which empirical corrections for the dispersion energy are included, have been carried out. A variety of pure and hybrid density functionals (BP86, PW91, PBE, BLYP, OLYP, B3LYP, B1PW91, PBE0, X3LYP) have been considered, and our calculations indicate the PBE functional and its hybrid variation are well suited for the calculation of transition metal hydride hydrogen and dihydrogen bonding. Dispersive interactions make up for a sizeable portion of the intermolecular interaction, and amount to 20-30% of the bond energy and to 30-40% of the bond enthalpy. An energy decomposition analysis reveals that the H⋯H bond of transition metal hydrides contains both covalent and electrostatic contributions.

N(+)-N and O(+)-O interaction energies, dipole transition moments, and transport cross sections

NASA Technical Reports Server (NTRS)

Partridge, H.; Stallcop, J. R.

1986-01-01

Complete sets of ion-atom interaction energies have been computed for nitrogen and oxygen with accurate large scale structure calculations. The computed energies agree well with the accurate potential curves available from spectroscopic measurement. The state functions from the nitrogen calculations have been applied to determine the transition moment for all allowed dipole transitions. These results can be combined to compute a detailed radiation spectrum such as that required to define the highly nonequilibrium environment of aeroassisted orbital transfer vehicle (AOTV). The long-range interaction energies have been used to determine the ion-atom resonance charge exchange cross sections that are important for transport processes such as diffusion. A calculation to determine reliable transport properties for energies that include the AOTV temperature range from these computed properties is described.

Results of thermal modeling of Smart Energy Coating with phase-transition material for independent electricity generation

NASA Astrophysics Data System (ADS)

Pospelova, I. Y.; Pospelova, M. Y.; Bondarenko, A. S.; Kornilov, D. A.

2018-05-01

The modeling for Smart Energy Coating is presented. The coating is able to produce electricity on the surface of pipelines and structural elements. Along with electric output, Smart Energy Coating ensures the stable temperature conditions of work for structures, pipelines and regulating elements. The energy production scheme is based on the Peltier principle and the insulating layer with a phase transition. Thermally conductive inclusions of the inside layer with a phase transition material ensure the stable operation of the Peltier element.

State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State.

PubMed

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-12-23

Energy flow and sequestration at the state-to-state level are investigated for a prototypical four-atom reaction, H2 + OH → H + H2O, using a transition-state wave packet (TSWP) method. The product state distribution is found to depend strongly on the reactant vibrational excitation, indicating mode specificity at the state-to-state level. From a local-mode perspective, it is shown that the vibrational excitation of the H2O product derives from two different sources, one attributable to the energy flow along the reaction coordinate into the newly formed OH bond and the other due to the sequestration of the vibrational energy in the OH spectator moiety during the reaction. The analysis provided a unified interpretation of some seemingly contradicting experimental observations. It is further shown that the transfer of vibrational energy from the OH reactant to H2O product is gated by the transition state, accomplished coherently by multiple TSWPs with the corresponding OH vibrational excitation.

Pressure-Induced Structural Transition and Enhancement of Energy Gap of CuAlO2

NASA Astrophysics Data System (ADS)

Nakanishi, Akitaka

2011-02-01

By using first-principles calculations, we studied the stable crystal structures and energy gaps of CuAlO2 under high pressure. Our simulation shows that CuAlO2 transforms from a delafossite structure to a leaning delafossite structure. The critical pressure of the transition was determined to be 60 GPa. The energy gap of CuAlO2 increases through the structural transition due to the enhanced covalency of Cu 3d and O 2p states. We found that a chalcopyrite structure does not appear as a stable structure under high pressure.

Vertical coupling and transition energies in multilayer InAs/GaAs quantum-dot structures

NASA Astrophysics Data System (ADS)

Taddei, S.; Colocci, M.; Vinattieri, A.; Bogani, F.; Franchi, S.; Frigeri, P.; Lazzarini, L.; Salviati, G.

2000-10-01

Vertically ordered quantum dots in multilayer InAs/GaAs structures have attracted large interest in recent years for device application as light emitters. Contradictory claims on the dependence of the fundamental transition energy on the interlayer separation and number of dot layers have been reported in the literature. We show that either a blueshift or a redshift of the fundamental transition energy can be observed in different coupling conditions and straightforwardly explained by including strain, indium segregation, and electron-hole Coulomb interaction, in good agreement with experimental results.

Nuclear forward scattering for high energy mössbauer transitions.

PubMed

Sergueev, I; Chumakov, A I; Beaume-Dang, T H Deschaux; Rüffer, R; Strohm, C; van Bürck, U

2007-08-31

We have studied nuclear forward scattering of synchrotron radiation for the 67.41 keV resonance of 61Ni using a silicon crystal monochromator with low-index reflections and a multielement detector. This approach can be extended to other high-energy Mössbauer transitions and does not pose any restrictions on the sample environment. Under conditions of large sample thickness and short nuclear lifetime, typical for work with high-energy nuclear resonances, the nuclear decay follows a universal dependence where both thickness effects and hyperfine interactions are taken into account by time scaling.

Surface energy from order parameter profile: At the QCD phase transition

NASA Technical Reports Server (NTRS)

Frei, Z.; Patkos, A.

1989-01-01

The order parameter profile between coexisting confined and plasma regions at the quantum chromodynamic (QCD) phase transition is constructed. The dimensionless combination of the surface energy (Sigma) and the correlation length (Zeta) is estimated to be Sigma Zeta 3 approximately equals 0.8.

Energy management guidelines for rail transit systems : volume I. final report

DOT National Transportation Integrated Search

1986-09-01

The cost of electricity is a significant portion of the operating costs of rail transit systems. The impact of increasing energy costs is felt by those systems presently in operation and will be felt by those in the planning or construction phases. B...

Making Heat Visible: Promoting Energy Conservation Behaviors Through Thermal Imaging.

PubMed

Goodhew, Julie; Pahl, Sabine; Auburn, Tim; Goodhew, Steve

2015-12-01

Householders play a role in energy conservation through the decisions they make about purchases and installations such as insulation, and through their habitual behavior. The present U.K. study investigated the effect of thermal imaging technology on energy conservation, by measuring the behavioral effect after householders viewed images of heat escaping from or cold air entering their homes. In Study 1 ( n = 43), householders who received a thermal image reduced their energy use at a 1-year follow-up, whereas householders who received a carbon footprint audit and a non-intervention control demonstrated no change. In Study 2 ( n = 87), householders were nearly 5 times more likely to install draught proofing measures after seeing a thermal image. The effect was especially pronounced for actions that addressed an issue visible in the images. Findings indicate that using thermal imaging to make heat loss visible can promote energy conservation.

Precise Determination of the Lyman-1 Transition Energy in Hydrogen-like Gold Ions with Microcalorimeters

NASA Astrophysics Data System (ADS)

Kraft-Bermuth, S.; Andrianov, V.; Bleile, A.; Echler, A.; Egelhof, P.; Grabitz, P.; Kilbourne, C.; Kiselev, O.; McCammon, D.; Scholz, P.

2014-09-01

The precise determination of the transition energy of the Lyman-1 line in hydrogen-like heavy ions provides a sensitive test of quantum electrodynamics in very strong Coulomb fields. We report the determination of the Lyman-1 transition energy of gold ions (Au) with microcalorimeters at the experimental storage ring at GSI. X-rays produced by the interaction of 125 MeV/u Au ions with an internal argon gas-jet target were detected. The detector array consisted of 14 pixels with silicon thermistors and Sn absorbers, for which an energy resolution of 50 eV for an X-ray energy of 59.5 keV was obtained in the laboratory. The Lyman-1 transition energy was determined for each pixel in the laboratory frame, then transformed into the emitter frame and averaged. A Dy-159 source was used for energy calibration. The absolute positions of the detector pixels, which are needed for an accurate correction of the Doppler shift, were determined by topographic measurements and by scanning a collimated Am-241 source across the cryostat window. The energy of the Lyman-1 line in the emitter frame is eV, in good agreement with theoretical predictions. The systematic error is dominated by the uncertainty in the position of the cryostat relative to the interaction region of beam and target.

Benchmarking transition energies and emission strengths for X-ray astrophysics with measurements at the Livermore EBITs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hell, Natalie

K-shell transitions in astrophysically abundant metals and L-shell transitions in Fe group elements show characteristic signatures in the soft X-ray spectrum in the energy range 0.1–10 keV. These signatures have great diagnostic value for plasma parameters such as electron and ion temperatures and densities, and can thus help understand the physics controlling the energetic processes in astrophysical sources. This diagnostic power increases with advances in spectral resolution and effective area of the employed X-ray observatories. However, to make optimal use of the diagnostic potential – whether through global spectral modeling or through diagnostics from local modeling of individual lines –more » the underlying atomic physics has to be complete and well known. With the next generation of soft X-ray observatories featuring micro-calorimeters such as the SXS on Astro- H/Hitomi and the X-IFU on Athena, broadband high-resolution spectroscopy with large effective area will become more commonly available in the next decade. With these spectrometers, the accuracy of the plasma parameters derived from spectral modeling will be limited by the uncertainty of the reference atomic data rather than by instrumental factors, as is sometimes already the case for the high-resolution grating observations with Chandra-HETG and XMM-Newton-RGS. To take full advantage of the measured spectra, assessment of the accuracy of and improvements to the available atomic reference data are therefore important. Dedicated measurements in the laboratory are essential to benchmark the theoretical calculations providing the bulk of the reference data used in astrophysics. Experiments at the Lawrence Livermore National Laboratory electron beam ion traps (EBIT-I and SuperEBIT) have a long history of providing this service. In this work, I present new measurements of transition energies and absolute electron impact excitation cross sections geared towards currently open atomic physics data

Exploring how to make system safety work in transit

DOT National Transportation Integrated Search

1994-12-01

The New York Metropolitan Transit Authority (MTA) and its operating elements, the New York City Transit Authority (NYCTA), the Long Island Rail Road (LIRR), Metro-North Commuter Railroad, Long Island Bus (LI Bus), and the Staten Island Rapid Transit ...

Energy spectra and E2 transition rates of 124—130Ba

NASA Astrophysics Data System (ADS)

Sabri, H.; Seidi, M.

2016-10-01

In this paper, we have studied the energy spectra and B(E2) values of 124—130Ba isotopes in the shape phase transition region between the spherical and gamma unstable deformed shapes. We have used a transitional interacting Boson model (IBM), Hamiltonian which is based on affine SU(1,1) Lie algebra in the both IBM-1 and 2 versions and also the Catastrophe theory in combination with a coherent state formalism to generate energy surfaces and determine the exact values of control parameters. Our results for control parameters suggest a combination of U(5) and SO(6) dynamical symmetries in this isotopic chain. Also, the theoretical predictions can be rather well reproduce the experimental counterparts, when the control parameter is approached to the SO(6) limit.

Free energy of conformational transition paths in biomolecules: The string method and its application to myosin VI

PubMed Central

Ovchinnikov, Victor; Karplus, Martin; Vanden-Eijnden, Eric

2011-01-01

A set of techniques developed under the umbrella of the string method is used in combination with all-atom molecular dynamics simulations to analyze the conformation change between the prepowerstroke (PPS) and rigor (R) structures of the converter domain of myosin VI. The challenges specific to the application of these techniques to such a large and complex biomolecule are addressed in detail. These challenges include (i) identifying a proper set of collective variables to apply the string method, (ii) finding a suitable initial string, (iii) obtaining converged profiles of the free energy along the transition path, (iv) validating and interpreting the free energy profiles, and (v) computing the mean first passage time of the transition. A detailed description of the PPS↔R transition in the converter domain of myosin VI is obtained, including the transition path, the free energy along the path, and the rates of interconversion. The methodology developed here is expected to be useful more generally in studies of conformational transitions in complex biomolecules. PMID:21361558

The Relationship between Moral Decision Making and Patterns of Consolidation and Transition in Moral Judgment Development.

ERIC Educational Resources Information Center

Thoma, Stephen J.; Rest, James R.

1999-01-01

Assessed the relationship between a measure of consolidation and transition in moral-judgment development and utility of moral concepts in sociomoral decision making in multiple cross-sectional and longitudinal samples. Found that participants' reliance on a Kohlbergian moral framework was highest during periods of consolidation and lowest during…

A simulation study on the constancy of cardiac energy metabolites during workload transition.

PubMed

Saito, Ryuta; Takeuchi, Ayako; Himeno, Yukiko; Inagaki, Nobuya; Matsuoka, Satoshi

2016-12-01

The cardiac energy metabolites such as ATP, phosphocreatine, ADP and NADH are kept relatively constant during physiological cardiac workload transition. How this is accomplished is not yet clarified, though Ca 2+ has been suggested to be one of the possible mechanisms. We constructed a detailed mathematical model of cardiac mitochondria based on experimental data and studied whether known Ca 2+ -dependent regulation mechanisms play roles in the metabolite constancy. Model simulations revealed that the Ca 2+ -dependent regulation mechanisms have important roles under the in vitro condition of isolated mitochondria where malate and glutamate were mitochondrial substrates, while they have only a minor role and the composition of substrates has marked influence on the metabolite constancy during workload transition under the simulated in vivo condition where many substrates exist. These results help us understand the regulation mechanisms of cardiac energy metabolism during physiological cardiac workload transition. The cardiac energy metabolites such as ATP, phosphocreatine, ADP and NADH are kept relatively constant over a wide range of cardiac workload, though the mechanisms are not yet clarified. One possible regulator of mitochondrial metabolism is Ca 2+ , because it activates several mitochondrial enzymes and transporters. Here we constructed a mathematical model of cardiac mitochondria, including oxidative phosphorylation, substrate metabolism and ion/substrate transporters, based on experimental data, and studied whether the Ca 2+ -dependent activation mechanisms play roles in metabolite constancy. Under the in vitro condition of isolated mitochondria, where malate and glutamate were used as mitochondrial substrates, the model well reproduced the Ca 2+ and inorganic phosphate (P i ) dependences of oxygen consumption, NADH level and mitochondrial membrane potential. The Ca 2+ -dependent activations of the aspartate/glutamate carrier and the F 1 F o -ATPase, and

Transition model for ricin-aptamer interactions with multiple pathways and energy barriers

NASA Astrophysics Data System (ADS)

Wang, Bin; Xu, Bingqian

2014-02-01

We develop a transition model to interpret single-molecule ricin-aptamer interactions with multiple unbinding pathways and energy barriers measured by atomic force microscopy dynamic force spectroscopy. Molecular simulations establish the relationship between binding conformations and the corresponding unbinding pathways. Each unbinding pathway follows a Bell-Evans multiple-barrier model. Markov-type transition matrices are developed to analyze the redistribution of unbinding events among the pathways under different loading rates. Our study provides detailed information about complex behaviors in ricin-aptamer unbinding events.

Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

NASA Astrophysics Data System (ADS)

Aggarwal, Sunny; Singh, J.; Jha, A. K. S.; Mohan, Man

2014-07-01

Fine-structure energies of the 67 levels belonging to the 1s2, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

Calculating Transition Energy Barriers and Characterizing Activation States for Steps of Fusion.

PubMed

Ryham, Rolf J; Klotz, Thomas S; Yao, Lihan; Cohen, Fredric S

2016-03-08

We use continuum mechanics to calculate an entire least energy pathway of membrane fusion, from stalk formation, to pore creation, and through fusion pore enlargement. The model assumes that each structure in the pathway is axially symmetric. The static continuum stalk structure agrees quantitatively with experimental stalk architecture. Calculations show that in a stalk, the distal monolayer is stretched and the stored stretching energy is significantly less than the tilt energy of an unstretched distal monolayer. The string method is used to determine the energy of the transition barriers that separate intermediate states and the dynamics of two bilayers as they pass through them. Hemifusion requires a small amount of energy independently of lipid composition, while direct transition from a stalk to a fusion pore without a hemifusion intermediate is highly improbable. Hemifusion diaphragm expansion is spontaneous for distal monolayers containing at least two lipid components, given sufficiently negative diaphragm spontaneous curvature. Conversely, diaphragms formed from single-component distal monolayers do not expand without the continual injection of energy. We identify a diaphragm radius, below which central pore expansion is spontaneous. For larger diaphragms, prior studies have shown that pore expansion is not axisymmetric, and here our calculations supply an upper bound for the energy of the barrier against pore formation. The major energy-requiring deformations in the steps of fusion are: widening of a hydrophobic fissure in bilayers for stalk formation, splay within the expanding hemifusion diaphragm, and fissure widening initiating pore formation in a hemifusion diaphragm. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Calculating Transition Energy Barriers and Characterizing Activation States for Steps of Fusion

PubMed Central

Ryham, Rolf J.; Klotz, Thomas S.; Yao, Lihan; Cohen, Fredric S.

2016-01-01

We use continuum mechanics to calculate an entire least energy pathway of membrane fusion, from stalk formation, to pore creation, and through fusion pore enlargement. The model assumes that each structure in the pathway is axially symmetric. The static continuum stalk structure agrees quantitatively with experimental stalk architecture. Calculations show that in a stalk, the distal monolayer is stretched and the stored stretching energy is significantly less than the tilt energy of an unstretched distal monolayer. The string method is used to determine the energy of the transition barriers that separate intermediate states and the dynamics of two bilayers as they pass through them. Hemifusion requires a small amount of energy independently of lipid composition, while direct transition from a stalk to a fusion pore without a hemifusion intermediate is highly improbable. Hemifusion diaphragm expansion is spontaneous for distal monolayers containing at least two lipid components, given sufficiently negative diaphragm spontaneous curvature. Conversely, diaphragms formed from single-component distal monolayers do not expand without the continual injection of energy. We identify a diaphragm radius, below which central pore expansion is spontaneous. For larger diaphragms, prior studies have shown that pore expansion is not axisymmetric, and here our calculations supply an upper bound for the energy of the barrier against pore formation. The major energy-requiring deformations in the steps of fusion are: widening of a hydrophobic fissure in bilayers for stalk formation, splay within the expanding hemifusion diaphragm, and fissure widening initiating pore formation in a hemifusion diaphragm. PMID:26958888

Input-Independent Energy Harvesting in Bistable Lattices from Transition Waves.

PubMed

Hwang, Myungwon; Arrieta, Andres F

2018-02-26

We demonstrate the utilisation of transition waves for realising input-invariant, frequency-independent energy harvesting in 1D lattices of bistable elements. We propose a metamaterial-inspired design with an integrated electromechanical transduction mechanism to the unit cell, rendering the power conversion capability an intrinsic property of the lattice. Moreover, focusing of transmitted energy to desired locations is demonstrated numerically and experimentally by introducing engineered defects in the form of perturbation in mass or inter-element forcing. We achieve further localisation of energy and numerically observe a breather-like mode for the first time in this type of lattice, improving the harvesting performance by an order of magnitude. Our approach considers generic bistable unit cells and thus provides a universal mechanism to harvest energy and realise metamaterials effectively behaving as a capacitor and power delivery system.

Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions.

PubMed

Vosmeer, C Ruben; Kooi, Derk P; Capoferri, Luigi; Terpstra, Margreet M; Vermeulen, Nico P E; Geerke, Daan P

2016-01-01

Recently an iterative method was proposed to enhance the accuracy and efficiency of ligand-protein binding affinity prediction through linear interaction energy (LIE) theory. For ligand binding to flexible Cytochrome P450s (CYPs), this method was shown to decrease the root-mean-square error and standard deviation of error prediction by combining interaction energies of simulations starting from different conformations. Thereby, different parts of protein-ligand conformational space are sampled in parallel simulations. The iterative LIE framework relies on the assumption that separate simulations explore different local parts of phase space, and do not show transitions to other parts of configurational space that are already covered in parallel simulations. In this work, a method is proposed to (automatically) detect such transitions during the simulations that are performed to construct LIE models and to predict binding affinities. Using noise-canceling techniques and splines to fit time series of the raw data for the interaction energies, transitions during simulation between different parts of phase space are identified. Boolean selection criteria are then applied to determine which parts of the interaction energy trajectories are to be used as input for the LIE calculations. Here we show that this filtering approach benefits the predictive quality of our previous CYP 2D6-aryloxypropanolamine LIE model. In addition, an analysis is performed of the gain in computational efficiency that can be obtained from monitoring simulations using the proposed filtering method and by prematurely terminating simulations accordingly.

Thermodynamic free energy methods to investigate shape transitions in bilayer membranes.

PubMed

Ramakrishnan, N; Tourdot, Richard W; Radhakrishnan, Ravi

2016-06-01

The conformational free energy landscape of a system is a fundamental thermodynamic quantity of importance particularly in the study of soft matter and biological systems, in which the entropic contributions play a dominant role. While computational methods to delineate the free energy landscape are routinely used to analyze the relative stability of conformational states, to determine phase boundaries, and to compute ligand-receptor binding energies its use in problems involving the cell membrane is limited. Here, we present an overview of four different free energy methods to study morphological transitions in bilayer membranes, induced either by the action of curvature remodeling proteins or due to the application of external forces. Using a triangulated surface as a model for the cell membrane and using the framework of dynamical triangulation Monte Carlo, we have focused on the methods of Widom insertion, thermodynamic integration, Bennett acceptance scheme, and umbrella sampling and weighted histogram analysis. We have demonstrated how these methods can be employed in a variety of problems involving the cell membrane. Specifically, we have shown that the chemical potential, computed using Widom insertion, and the relative free energies, computed using thermodynamic integration and Bennett acceptance method, are excellent measures to study the transition from curvature sensing to curvature inducing behavior of membrane associated proteins. The umbrella sampling and WHAM analysis has been used to study the thermodynamics of tether formation in cell membranes and the quantitative predictions of the computational model are in excellent agreement with experimental measurements. Furthermore, we also present a method based on WHAM and thermodynamic integration to handle problems related to end-point-catastrophe that are common in most free energy methods.

Transitions.

ERIC Educational Resources Information Center

Field, David; And Others

1992-01-01

Includes four articles: "Career Aspirations" (Field); "Making the Transition to a New Curriculum" (Baker, Householder); "How about a 'Work to School' Transition?" (Glasberg); and "Technological Improvisation: Bringing CNC to Woodworking" (Charles, McDuffie). (SK)

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less

Empowering Energy Justice.

PubMed

Finley-Brook, Mary; Holloman, Erica L

2016-09-21

The U.S. is experiencing unprecedented movement away from coal and, to a lesser degree, oil. Burdened low-income communities and people of color could experience health benefits from reductions in air and water pollution, yet these same groups could suffer harm if transitions lack broad public input or if policies prioritize elite or corporate interests. This paper highlights how U.S. energy transitions build from, and contribute to, environmental injustices. Energy justice requires not only ending disproportionate harm, it also entails involvement in the design of solutions and fair distribution of benefits, such as green jobs and clean air. To what extent does the confluence of state, civic, and market processes assure "just" transitions to clean, low-carbon energy production involving equitable distribution of costs, benefits, and decision-making power? To explore this question we assess trends with (1) fossil fuel divestment; (2) carbon taxes and social cost of carbon measurements; (3) cap-and-trade; (4) renewable energy; and (5) energy efficiency. Current research demonstrates opportunities and pitfalls in each area with mixed or partial energy justice consequences, leading to our call for greater attention to the specifics of distributive justice , procedural justice , and recognition justice in research, policy, and action. Illustrative energy transition case studies suggest the feasibility and benefit of empowering approaches, but also indicate there can be conflict between "green" and "just", as evident though stark inequities in clean energy initiatives. To identify positive pathways forward, we compile priorities for an energy justice research agenda based on interactive and participatory practices aligning advocacy, activism, and academics.

Transition energy measurements in hydrogenlike and heliumlike ions strongly supporting bound-state QED calculations

NASA Astrophysics Data System (ADS)

Kubiček, K.; Mokler, P. H.; Mäckel, V.; Ullrich, J.; López-Urrutia, J. R. Crespo

2014-09-01

For the hydrogenlike Ar17+ ion, the 1s Lamb shift was absolutely determined with a 1.4% accuracy based on Lyman-α wavelength measurements that have negligible uncertainties from nuclear size effects. The result agrees with state-of-the-art quantum electrodynamics (QED) calculations, and demonstrates the suitability of Lyman-α transitions in highly charged ions as x-ray energy standards, accurate at the five parts-per-million level. For the heliumlike Ar16+ ion the transition energy for the 1s2p1P1→1s21S0 line was also absolutely determined on an even higher level of accuracy. Additionally, we present relative measurements of transitions in S15+,S14+, and Fe24+ ions. The data for the heliumlike S14+,Ar16+, and Fe24+ ions stringently confirm advanced bound-state QED predictions including screened QED terms that had recently been contested.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V ii)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3 d {sup 4}, 3 d {sup 3} ns ( n  = 4, 5, 6), 3 d {sup 3} np , and 3 d {sup 3} nd ( n  = 4, 5), 3 d {sup 3}4 f , 3 d {sup 2}4 s {sup 2}, and 3 d {sup 2}4 s 4 p . Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factorsmore » and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm{sup −1}, corresponding to 14.634(7) eV. This is 130 cm{sup −1} higher than the previously recommended value from Iglesias et al.« less

Operator product expansion in Liouville field theory and Seiberg-type transitions in log-correlated random energy models

NASA Astrophysics Data System (ADS)

Cao, Xiangyu; Le Doussal, Pierre; Rosso, Alberto; Santachiara, Raoul

2018-04-01

We study transitions in log-correlated random energy models (logREMs) that are related to the violation of a Seiberg bound in Liouville field theory (LFT): the binding transition and the termination point transition (a.k.a., pre-freezing). By means of LFT-logREM mapping, replica symmetry breaking and traveling-wave equation techniques, we unify both transitions in a two-parameter diagram, which describes the free-energy large deviations of logREMs with a deterministic background log potential, or equivalently, the joint moments of the free energy and Gibbs measure in logREMs without background potential. Under the LFT-logREM mapping, the transitions correspond to the competition of discrete and continuous terms in a four-point correlation function. Our results provide a statistical interpretation of a peculiar nonlocality of the operator product expansion in LFT. The results are rederived by a traveling-wave equation calculation, which shows that the features of LFT responsible for the transitions are reproduced in a simple model of diffusion with absorption. We examine also the problem by a replica symmetry breaking analysis. It complements the previous methods and reveals a rich large deviation structure of the free energy of logREMs with a deterministic background log potential. Many results are verified in the integrable circular logREM, by a replica-Coulomb gas integral approach. The related problem of common length (overlap) distribution is also considered. We provide a traveling-wave equation derivation of the LFT predictions announced in a precedent work.

Managing risk during care transitions when approaching end of life: A qualitative study of patients' and health care professionals' decision making.

PubMed

Coombs, Maureen A; Parker, Roses; de Vries, Kay

2017-07-01

Increasing importance is being placed on the coordination of services at the end of life. To describe decision-making processes that influence transitions in care when approaching the end of life. Qualitative study using field observations and longitudinal semi-structured interviews. Field observations were undertaken in three sites: a residential care home, a medical assessment unit and a general medical unit in New Zealand. The Supportive and Palliative Care Indicators Tool was used to identify participants with advanced and progressive illness. Patients and family members were interviewed on recruitment and 3-4 months later. Four weeks of fieldwork were conducted in each site. A total of 40 interviews were conducted: 29 initial interviews and 11 follow-up interviews. Thematic analysis was undertaken. Managing risk was an important factor that influenced transitions in care. Patients and health care staff held different perspectives on how such risks were managed. At home, patients tolerated increasing risk and used specific support measures to manage often escalating health and social problems. In contrast, decisions about discharge in hospital were driven by hospital staff who were risk-adverse. Availability of community and carer services supported risk management while a perceived need for early discharge decision making in hospital and making 'safe' discharge options informed hospital discharge decisions. While managing risk is an important factor during care transitions, patients should be able to make choices on how to live with risk at the end of life. This requires reconsideration of transitional care and current discharge planning processes at the end of life.

Ro-vibronic transition intensities for triatomic molecules from the exact kinetic energy operator; electronic spectrum for the C̃ 1B2 ← X̃ 1A1 transition in SO2.

PubMed

Zak, Emil J; Tennyson, Jonathan

2017-09-07

A procedure for calculating ro-vibronic transition intensities for triatomic molecules within the Born-Oppenheimer approximation is reported. Ro-vibrational energy levels and wavefunctions are obtained with the DVR3D suite, which solves the nuclear motion problem with an exact kinetic energy operator. Absolute transition intensities are calculated both with the Franck-Condon approximation and with a full transition dipole moment surface. The theoretical scheme is tested on C̃  1 B 2  ← X̃  1 A 1 ro-vibronic transitions of SO 2 . Ab initio potential energy and dipole moment surfaces are generated for this purpose. The calculated ro-vibronic transition intensities and cross sections are compared with the available experimental and theoretical data.

Energy Transition Initiative: Island Energy Snapshot - U.S. Virgin Islands (Fact Sheet)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

2015-03-01

This profile provides a snapshot of the energy landscape of the U.S. Virgin Islands (USVI) - St. Thomas, St. John, and St. Croix. The Virgin Islands archipelago makes up the northern portion of the Lesser Antilles and the western island group of the Leeward Islands, forming the border between the Atlantic Ocean and the Caribbean Sea.

Making the Transition from Geoscience Geek to Policy Wonk

NASA Astrophysics Data System (ADS)

Rowan, L.

2013-12-01

Geoscientists are often drawn into policymaking, willingly or otherwise, because mapping a course of action for a specific outcome benefits from geoscientific expertise. Policy development, such as legislation or regulation regarding energy, water, minerals, soils, hazards, land use, and other Earth-based processes, is informed by the geosciences. Some geoscientists have moved fully into policymaking as full time policymakers for congressional offices, government agencies, think tanks, non-profits, foundations, industry, and other places. Geoscientists turned policymakers need good communication skills, patience, persistence, strategic forethought, agility, timing, an understanding of competing interests, and the courage to advance geoscientifically sound policy with the right people at the right time. Transitioning from the geeky world of geoscience to the wonky world of policy for a brief time or full time is possible, can be fulfilling as well as frustrating, and ultimately can have a profound impact on how society adapts to living with a dynamic Earth.

Exploration of government policy structure which support and block energy transition process in indonesia using system dynamics model

NASA Astrophysics Data System (ADS)

Destyanto, A. R.; Silalahi, T. D.; Hidayatno, A.

2017-11-01

System dynamic modeling is widely used to predict and simulate the energy system in several countries. One of the applications of system dynamics is to evaluate national energy policy alternatives, and energy efficiency analysis. Using system dynamic modeling, this research aims to evaluate the energy transition policy that has been implemented in Indonesia on the past conversion program of kerosene to LPG for household cook fuel consumption, which considered as successful energy transition program implemented since 2007. This research is important since Indonesia considered not yet succeeded to execute another energy transition program on conversion program of oil fuel to gas fuel for transportation that has started since 1989. The aim of this research is to explore which policy intervention that has significant contribution to support or even block the conversion program. Findings in this simulation show that policy intervention to withdraw the kerosene supply and government push to increase production capacity of the support equipment industries (gas stove, regulator, and LPG Cylinder) is the main influence on the success of the program conversion program.

Designing a gradual transition to a hydrogen economy in Spain

NASA Astrophysics Data System (ADS)

Brey, J. J.; Brey, R.; Carazo, A. F.; Contreras, I.; Hernández-Díaz, A. G.; Gallardo, V.

The lack of sustainability of the current Spanish energy system makes it necessary to study the adoption of alternative energy models. One of these is what is known as the hydrogen economy. In this paper, we aim to plan, for the case of Spain, an initial phase for transition to this energy model making use of the potential offered by each Spanish region. Specifically, the target pursued is to satisfy at least 15% of energy demand for transport by 2010 through renewable sources. We plan to attain this target gradually, establishing intermediate stages consisting of supplying 5 and 10% of the energy demand for transport by 2006 and 2008, respectively. The results obtained allow us to determine, for each region, the hydrogen production and consumption, the renewable energy sources used to obtain hydrogen and the transport requirements between regions.

Converged G W quasiparticle energies for transition metal oxide perovskites

NASA Astrophysics Data System (ADS)

Ergönenc, Zeynep; Kim, Bongjae; Liu, Peitao; Kresse, Georg; Franchini, Cesare

2018-02-01

The ab initio calculation of quasiparticle (QP) energies is a technically and computationally challenging problem. In condensed matter physics, the most widely used approach to determine QP energies is the G W approximation. Although the G W method has been widely applied to many typical semiconductors and insulators, its application to more complex compounds such as transition metal oxide perovskites has been comparatively rare, and its proper use is not well established from a technical point of view. In this work, we have applied the single-shot G0W0 method to a representative set of transition metal oxide perovskites including 3 d (SrTiO3, LaScO3, SrMnO3, LaTiO3, LaVO3, LaCrO3, LaMnO3, and LaFeO3), 4 d (SrZrO3, SrTcO3, and Ca2RuO4 ), and 5 d (SrHfO3, KTaO3, and NaOsO3) compounds with different electronic configurations, magnetic orderings, structural characteristics, and band gaps ranging from 0.1 to 6.1 eV. We discuss the proper procedure to obtain well-converged QP energies and accurate band gaps within single-shot G0W0 by comparing the conventional approach based on an incremental variation of a specific set of parameters (number of bands, energy cutoff for the plane-wave expansion and number of k points) and the basis-set extrapolation scheme [J. Klimeš et al., Phys. Rev. B 90, 075125 (2014), 10.1103/PhysRevB.90.075125]. Although the conventional scheme is not supported by a formal proof of convergence, for most cases it delivers QP energies in reasonably good agreement with those obtained by the basis-set correction procedure and it is by construction more useful for calculating band structures. In addition, we have inspected the difference between the adoption of norm-conserving and ultrasoft potentials in G W calculations and found that the norm violation for the d shell can lead to less accurate results in particular for charge-transfer systems and late transition metals. A minimal statistical analysis indicates that the correlation of the G W data

Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces

NASA Astrophysics Data System (ADS)

Tokizaki, Chihiro; Yoshida, Takahiko; Takayanagi, Toshiyuki

2016-05-01

The cyclooctatetraene (COT) anion has a stable D4h structure that is similar to the transition state configurations of the neutral C-C bond-alternation (D4h ↔ D8h ↔ D4h) and ring-inversion (D2d ↔ D4h ↔ D2d) unimolecular reactions. The previously measured photodetachment spectrum of COT- revealed the reaction dynamics in the vicinity of the two transition states on the neutral potential energy surface. In this work, the photodetachment spectrum is calculated quantum mechanically on ab initio-level potential energy surfaces within a three degree-of-freedom reduced-dimensionality model. Very good agreement has been obtained between theory and experiment, providing reliable interpretations for the experimental spectrum. A detailed picture of the reactive molecular dynamics of the COT unimolecular reaction in the transition state region is also discussed.

Free energy and phase transition of the matrix model on a plane wave

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hadizadeh, Shirin; Ramadanovic, Bojan; Semenoff, Gordon W.

2005-03-15

It has recently been observed that the weakly coupled plane-wave matrix model has a density of states which grows exponentially at high energy. This implies that the model has a phase transition. The transition appears to be of first order. However, its exact nature is sensitive to interactions. In this paper, we analyze the effect of interactions by computing the relevant parts of the effective potential for the Polyakov loop operator in the finite temperature plane-wave matrix model to three-loop order. We show that the phase transition is indeed of first order. We also compute the correction to the Hagedornmore » temperature to order two loops.« less

Empowering Energy Justice

PubMed Central

Finley-Brook, Mary; Holloman, Erica L.

2016-01-01

The U.S. is experiencing unprecedented movement away from coal and, to a lesser degree, oil. Burdened low-income communities and people of color could experience health benefits from reductions in air and water pollution, yet these same groups could suffer harm if transitions lack broad public input or if policies prioritize elite or corporate interests. This paper highlights how U.S. energy transitions build from, and contribute to, environmental injustices. Energy justice requires not only ending disproportionate harm, it also entails involvement in the design of solutions and fair distribution of benefits, such as green jobs and clean air. To what extent does the confluence of state, civic, and market processes assure “just” transitions to clean, low-carbon energy production involving equitable distribution of costs, benefits, and decision-making power? To explore this question we assess trends with (1) fossil fuel divestment; (2) carbon taxes and social cost of carbon measurements; (3) cap-and-trade; (4) renewable energy; and (5) energy efficiency. Current research demonstrates opportunities and pitfalls in each area with mixed or partial energy justice consequences, leading to our call for greater attention to the specifics of distributive justice, procedural justice, and recognition justice in research, policy, and action. Illustrative energy transition case studies suggest the feasibility and benefit of empowering approaches, but also indicate there can be conflict between “green” and “just”, as evident though stark inequities in clean energy initiatives. To identify positive pathways forward, we compile priorities for an energy justice research agenda based on interactive and participatory practices aligning advocacy, activism, and academics. PMID:27657101

Second order phase transition in thermodynamic geometry and holographic superconductivity in low-energy stringy black holes

NASA Astrophysics Data System (ADS)

Rizwan, C. L. Ahmed; Vaid, Deepak

2018-05-01

We study holographic superconductivity in low-energy stringy Garfinkle-Horowitz-Strominger (GHS) dilaton black hole background. We finds that superconducting properties are much similar to s-wave superconductors. We show that the second-order phase transition indicated from thermodynamic geometry is not different from superconducting phase transition.

Accelerate the transition of radioisotopes and unwanted weapons-grade ^239Pu into stable nuclei with a system of high frequency modulation for a net energy gain

NASA Astrophysics Data System (ADS)

Pamfiloff, Eugene

2006-10-01

A process of high frequency stimulation of nucleons can be utilized for the accelerated fission, decay or controlled transition of unstable isotopes. ^238U could be persuaded to transition promptly into the stable ^206Pb isotope, where a portion of the total mass difference of 29873.802 MeV per nucleus becomes available energy. The proposals of this paper describe an effective system for nuclei stimulation configured to accelerate such a series of 14 transitions over several milliseconds, instead of 4.47 x 10^9 years. Positive ions or ionized capsules of fuel suspended by magnetic fields and subjected to the system of correlated frequency modulation of multiple beam lines, tailored to the specific target, will emit sufficient energy to stimulate subsequent targets. The system can be applied to all radioisotopes, nuclear waste product isotopes such as ^239Pu, and a variety of other suitable unstable or stable nuclei. Through the proposed confinement system and application of high frequency stimulation in the 10^22 to 10^24 Hz regime, the change in mass can be applied to both the fragmentation of subsequent, periodically injected targets, and the production of heat, making a continuous supply of energy possible. The system allows the particle fragmentation process to be brought into the lab and provides potential solutions to the safe disposal of fissile material.

Accelerate the transition of radioisotopes or unwanted weapons-grade ^239Pu into stable nuclei with a system of high frequency modulation for a net energy gain

NASA Astrophysics Data System (ADS)

Pamfiloff, Eugene

2006-10-01

A process of high frequency stimulation of nucleons can be utilized for the accelerated fission, decay or controlled transition of unstable isotopes. For example ^238U could be persuaded to transition promptly into ^206Pb, where portions of the total mass difference of 29873.802 MeV per nucleus becomes available energy. The proposals of this paper describe an effective system for nuclei stimulation configured to accelerate such a series of 14 transitions over several milliseconds, instead of 4.47 x 10^9 years. Positive ions or ionized capsules of fuel suspended by magnetic fields and subjected to the system of correlated frequency modulation of multiple beam lines, tailored to the specific target, will emit sufficient energy to stimulate subsequent targets. The system can be applied to all radioisotopes, including ^232Th, nuclear waste product isotopes such as ^239Pu, and a variety of other suitable unstable or stable nuclei. Through the proposed confinement system and application of high frequency stimulation in the 10^22 to 10^24 Hz regime, the change in rest mass can be applied to both the fragmentation of subsequent, periodically injected targets, and the production of heat, making a continuous supply of energy possible. The system allows the particle fragmentation process to be brought into the laboratory and provides potential solutions to the safe disposal of fissile material.

Accelerate the transition of radioisotopes and unwanted weapons-grade ^239Pu into stable nuclei with a system of high frequency modulation for a net energy gain

NASA Astrophysics Data System (ADS)

Pamfiloff, Eugene

2006-11-01

A process of high frequency stimulation of nucleons can be utilized for the accelerated fission, decay or controlled transition of unstable isotopes. ^238U could be persuaded to transition promptly into the stable ^206Pb isotope, where a portion of the total mass difference of 29873.802 MeV per nucleus becomes available energy. The proposals of this paper describe an effective system for nuclei stimulation configured to accelerate such a series of 14 transitions over several milliseconds, instead of 4.47 x 10^9 years. Positive ions or ionized capsules of fuel suspended by magnetic fields and subjected to the system of correlated frequency modulation of multiple beam lines, tailored to the specific target, will emit sufficient energy to stimulate subsequent targets. The system can be applied to all radioisotopes, nuclear waste product isotopes such as ^239Pu, and a variety of other suitable unstable or stable nuclei. Through the proposed confinement system and application of high frequency stimulation in the 10^22 to 10^24 Hz regime, the change in mass can be applied to both the fragmentation of subsequent, periodically injected targets, and the production of heat, making a continuous supply of energy possible. The system allows the particle fragmentation process to be brought into the lab and provides potential solutions to the safe disposal of fissile material.

Smart Building: Decision Making Architecture for Thermal Energy Management

PubMed Central

Hernández Uribe, Oscar; San Martin, Juan Pablo; Garcia-Alegre, María C.; Santos, Matilde; Guinea, Domingo

2015-01-01

Smart applications of the Internet of Things are improving the performance of buildings, reducing energy demand. Local and smart networks, soft computing methodologies, machine intelligence algorithms and pervasive sensors are some of the basics of energy optimization strategies developed for the benefit of environmental sustainability and user comfort. This work presents a distributed sensor-processor-communication decision-making architecture to improve the acquisition, storage and transfer of thermal energy in buildings. The developed system is implemented in a near Zero-Energy Building (nZEB) prototype equipped with a built-in thermal solar collector, where optical properties are analysed; a low enthalpy geothermal accumulation system, segmented in different temperature zones; and an envelope that includes a dynamic thermal barrier. An intelligent control of this dynamic thermal barrier is applied to reduce the thermal energy demand (heating and cooling) caused by daily and seasonal weather variations. Simulations and experimental results are presented to highlight the nZEB thermal energy reduction. PMID:26528978

Smart Building: Decision Making Architecture for Thermal Energy Management.

PubMed

Uribe, Oscar Hernández; Martin, Juan Pablo San; Garcia-Alegre, María C; Santos, Matilde; Guinea, Domingo

2015-10-30

Smart applications of the Internet of Things are improving the performance of buildings, reducing energy demand. Local and smart networks, soft computing methodologies, machine intelligence algorithms and pervasive sensors are some of the basics of energy optimization strategies developed for the benefit of environmental sustainability and user comfort. This work presents a distributed sensor-processor-communication decision-making architecture to improve the acquisition, storage and transfer of thermal energy in buildings. The developed system is implemented in a near Zero-Energy Building (nZEB) prototype equipped with a built-in thermal solar collector, where optical properties are analysed; a low enthalpy geothermal accumulation system, segmented in different temperature zones; and an envelope that includes a dynamic thermal barrier. An intelligent control of this dynamic thermal barrier is applied to reduce the thermal energy demand (heating and cooling) caused by daily and seasonal weather variations. Simulations and experimental results are presented to highlight the nZEB thermal energy reduction.

Energy conversion modeling of the intrinsic persistent luminescence of solids via energy transfer paths between transition levels.

PubMed

Huang, Bolong; Sun, Mingzi

2017-04-05

An energy conversion model has been established for the intrinsic persistent luminescence in solids related to the native point defect levels, formations, and transitions. In this study, we showed how the recombination of charge carriers between different defect levels along the zero phonon line (ZPL) can lead to energy conversions supporting the intrinsic persistent phosphorescence in solids. This suggests that the key driving force for this optical phenomenon is the pair of electrons hopping between different charged defects with negative-U eff . Such a negative correlation energy will provide a sustainable energy source for electron-holes to further recombine in a new cycle with a specific quantum yield. This will help us to understand the intrinsic persistent luminescence with respect to native point defect levels as well as the correlations of electronics and energetics.

The Effect of Disorder on the Free-Energy for the Random Walk Pinning Model: Smoothing of the Phase Transition and Low Temperature Asymptotics

NASA Astrophysics Data System (ADS)

Berger, Quentin; Lacoin, Hubert

2011-01-01

We consider the continuous time version of the Random Walk Pinning Model (RWPM), studied in (Berger and Toninelli (Electron. J. Probab., to appear) and Birkner and Sun (Ann. Inst. Henri Poincaré Probab. Stat. 46:414-441, 2010; arXiv:0912.1663). Given a fixed realization of a random walk Y on ℤ d with jump rate ρ (that plays the role of the random medium), we modify the law of a random walk X on ℤ d with jump rate 1 by reweighting the paths, giving an energy reward proportional to the intersection time Lt(X,Y)=int0t {1}_{Xs=Ys} {d}s: the weight of the path under the new measure is exp ( βL t ( X, Y)), β∈ℝ. As β increases, the system exhibits a delocalization/localization transition: there is a critical value β c , such that if β> β c the two walks stick together for almost-all Y realizations. A natural question is that of disorder relevance, that is whether the quenched and annealed systems have the same behavior. In this paper we investigate how the disorder modifies the shape of the free energy curve: (1) We prove that, in dimension d≥3, the presence of disorder makes the phase transition at least of second order. This, in dimension d≥4, contrasts with the fact that the phase transition of the annealed system is of first order. (2) In any dimension, we prove that disorder modifies the low temperature asymptotic of the free energy.

Enhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions.

PubMed

Shao, Qiang

2016-10-26

Large-scale conformational changes in proteins are important for their functions. Tracking the conformational change in real time at the level of a single protein molecule, however, remains a great challenge. In this article, we present a novel in silico approach with the combination of normal mode analysis and integrated-tempering-sampling molecular simulation (NMA-ITS) to give quantitative data for exploring the conformational transition pathway in multi-dimensional energy landscapes starting only from the knowledge of the two endpoint structures of the protein. The open-to-closed transitions of three proteins, including nCaM, AdK, and HIV-1 PR, were investigated using NMA-ITS simulations. The three proteins have varied structural flexibilities and domain communications in their respective conformational changes. The transition state structure in the conformational change of nCaM and the associated free-energy barrier are in agreement with those measured in a standard explicit-solvent REMD simulation. The experimentally measured transition intermediate structures of the intrinsically flexible AdK are captured by the conformational transition pathway measured here. The dominant transition pathways between the closed and fully open states of HIV-1 PR are very similar to those observed in recent REMD simulations. Finally, the evaluated relaxation times of the conformational transitions of three proteins are roughly at the same level as reported experimental data. Therefore, the NMA-ITS method is applicable for a variety of cases, providing both qualitative and quantitative insights into the conformational changes associated with the real functions of proteins.

Relativistic many-body calculations of excitation energies, oscillator strengths, transition rates, and lifetimes in samarium like ions

NASA Astrophysics Data System (ADS)

Safronova, Ulyana; Safronova, Alla; Beiersdorfer, Peter

2013-05-01

Excitation energies, oscillator strengths, transition probabilities, and lifetimes are calculated for (5s2 + 5p2 + 5d2 + 5 s 5 d + 5 s 5 g + 5 p 5 f) - (5 s 5 p + 5 s 5 f + 5 p 5 d + 5 p 5 g) electric dipole transitions in Sm-like ions with nuclear charge Z ranging from 74 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 4f14 Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate coupling coefficients, and the second-order RMBPT is used to determine the matrix elements. The contributions from negative-energy states are included in the second-order E1 matrix elements to achieve agreement between length-form and velocity-form amplitudes. The resulting transition energies and transition probabilities, and lifetimes for Sm-like W12+ are compared with results obtained by the relativistic Hartree-Fock approximation (COWAN code) to estimate contribution of the 4 f -core-excited states. Trends of excitation energies and oscillator strengths as function of nuclear charge Z are shown graphically for selected states and transitions. This work provides a number of yet unmeasured properti. This research was sponsored by the grant DE-FG02-08ER54951.

A cautionary approach in transitioning to 'green' energy technologies and practices is required.

PubMed

Matatiele, Puleng; Gulumian, Mary

2016-06-01

Renewable energy technologies (wind turbines, solar cells, biofuels, etc.) are often referred to as 'clean' or 'green' energy sources, while jobs linked to the field of environmental protection and energy efficiency are referred to as 'green' jobs. The energy efficiency of clean technologies, which is likely to reduce and/or eliminate reliance on fossil fuels, is acknowledged. However, the potential contribution of green technologies and associated practices to ill health and environmental pollution resulting from consumption of energy and raw materials, generation of waste, and the negative impacts related to some life cycle phases of these technologies are discussed. Similarly, a point is made that the green jobs theme is mistakenly oversold because the employment opportunities generated by transitioning to green technologies are not necessarily safe and healthy jobs. Emphasis is put on identifying the hazards associated with these green designs, assessing the risks to the environment and worker health and safety, and either eliminating the hazards or minimizing the risks as essential elements to the design, construction, operation, and maintenance of green technologies. The perception that it is not always economically possible to consider all risk factors associated with renewable energy technologies at the beginning without hampering their implementation, especially in the poor developing countries, is dismissed. Instead, poor countries are encouraged to start implementing environmentally sound practices while transitioning to green technologies in line with their technological development and overall economic growth.

A simple procedure for synthesizing Charpy impact energy transition curves from limited test data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenfeld, M.J.

1996-12-31

The importance of Charpy V-notch testing of pipe has been well established in the pipeline industry. Until now, it has been necessary to perform a number of tests in order to develop the toughness transition curve. A method is described which makes possible forecasting the full-scale toughness transition from a single subsize test datum to an acceptable degree of accuracy. This is potentially useful where historical test results or material samples available for testing are limited in quantity. Worked examples illustrating the use of the relationships are given.

Hadronic Transitions from Upsilon (2S) to Upsilon (1s) and Upsilon Dipion Transitions at Energies Near the Upsilon (4S)

NASA Astrophysics Data System (ADS)

Kotoy, Sergei Anatolievich

This dissertation consists of two closely related analyses, both of which were performed using data collected with the CLEO II detector at the Cornell Electron Storage Ring. In the first analysis, using the world largest data sample of Υ(2 S) events, we have investigated the hadronic transitions between the Υ(2S) and the Υ(1S), i.e. decays of the Υ(2S) into the Υ(1S), plus a pair of pions ( p+p- or p0p0 ), a single η or a single p0 . The dipion transitions U(2S)-->U( 1S)pp were studied most closely, by using two different techniques: ``exclusive'' and ``inclusive''. In these measurements we determine the U(2S)-->U( 1S)pp branching ratios, and, by combining the exclusive and inclusive results, we derive the Υ(1S), leptonic branching ratios Bee and Bmm . Parameters of the ππ system in the dipion transitions (dipion invariant mass spectra, angular distributions) were analyzed and found to be consistent with current theoretical models. Lastly, we searched for the η and single π0 transitions and obtained upper limits on the branching ratios B(U(2S) -->U(1S)h ) and B(U(2S) -->U(1S)p 0) . In the second analysis, the data collected at the center of mass energies near the Υ(4S) were used to search for the dipion transition between pairs of Υ resonances. As a result of this search, we established upper limits on the branching ratios of the dipion transitions post='par'>p+p- and U(4S)-->U( 1S)p+p- , and measured the cross-sections for the radiative production of Υ(3 S) and Υ(2S) resonances e+e--->U(nS) g at the center of mass energies of Ecm = 10.58 GeV and Ecm = 10.52 GeV.

Transitions from Temporary to Permanent Work in Canada: Who Makes the Transition and Why?

ERIC Educational Resources Information Center

Fang, Tony; MacPhail, Fiona

2008-01-01

The focus of this paper is on a microeconomic analysis of the annual transition rate from temporary to permanent work of individual workers in Canada for the period 1999-2004. Given that a large proportion of temporary employment is involuntary, an understanding of the factors associated with the transition to permanent work may inform public…

Energy transition characterization of 1.18 and 1.3 {mu}m bands of bismuth fiber by spectroscopy of the transient oscillations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gumenyuk, Regina; Okhotnikov, Oleg G.; Golant, Konstantin

2011-05-09

The experimental evidence of laser transition type in bismuth-doped silica fibers operating at different spectral bands is presented. Spectrally resolved transient (relaxation) oscillations studied for a Bi-doped fiber laser at room and liquid-nitrogen temperatures allow to identify the three- and four-level energy bands. 1.18 {mu}m short-wavelength band is found to be a three-level system at room temperature with highly populated terminal energy level of laser transition. The depopulation of ground level by cooling the fiber down to liquid-nitrogen temperature changes the transition to four-level type. Four-level energy transition distinguished at 1.32 {mu}m exhibits the net gain at room temperature.

I Make a Difference: Making the Transition from Clinician to Educator!

ERIC Educational Resources Information Center

Hudson, Larry, Ed.; And Others

Intended for the vocational health occupations (VHO) teacher during the transition from clinician to teacher, this practical handbook offers advice on bridging the gap between practice and teaching. Chapter 1 addresses defining one's new role. Chapter 2 on classroom instruction looks at student motivation, teaching techniques, student feedback,…

MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?

PubMed

Fogolari, Federico; Moroni, Elisabetta; Wojciechowski, Marcin; Baginski, Maciej; Ragona, Laura; Molinari, Henriette

2005-04-01

The pH-driven opening and closure of beta-lactoglobulin EF loop, acting as a lid and closing the internal cavity of the protein, has been studied by molecular dynamics (MD) simulations and free energy calculations based on molecular mechanics/Poisson-Boltzmann (PB) solvent-accessible surface area (MM/PBSA) methodology. The forms above and below the transition pH differ presumably only in the protonation state of residue Glu89. MM/PBSA calculations are able to reproduce qualitatively the thermodynamics of the transition. The analysis of MD simulations using a combination of MM/PBSA methodology and the colony energy approach is able to highlight the driving forces implied in the transition. The analysis suggests that global rearrangements take place before the equilibrium local conformation is reached. This conclusion may bear general relevance to conformational transitions in all lipocalins and proteins in general. (c) 2005 Wiley-Liss, Inc.

Microscopic analysis of octupole shape transitions in neutron-rich actinides with relativistic energy density functional

NASA Astrophysics Data System (ADS)

Xu, Zhong; Li, Zhi-Pan

2017-12-01

Quadrupole and octupole deformation energy surfaces, low-energy excitation spectra, and electric transition rates in eight neutron-rich isotopic chains - Ra, Th, U, Pu, Cm, Cf, Fm, and No - are systematically analyzed using a quadrupole-octupole collective Hamiltonian model, with parameters determined by constrained reflection-asymmetric and axially-symmetric relativistic mean-field calculations based on the PC-PK1 energy density functional. The theoretical results of low-lying negative-parity bands, odd-even staggering, average octupole deformations ⟨β 3⟩, and show evidence of a shape transition from nearly spherical to stable octupole-deformed, and finally octupole-soft equilibrium shapes in the neutron-rich actinides. A microscopic mechanism for the onset of stable octupole deformation is also discussed in terms of the evolution of single-nucleon orbitals with deformation. Supported by National Natural Science Foundation of China (11475140, 11575148)

Transition between B-DNA and Z-DNA: free energy landscape for the B-Z junction propagation.

PubMed

Lee, Juyong; Kim, Yang-Gyun; Kim, Kyeong Kyu; Seok, Chaok

2010-08-05

Canonical, right-handed B-DNA can be transformed into noncanonical, left-handed Z-DNA in vitro at high salt concentrations or in vivo under physiological conditions. The molecular mechanism of this drastic conformational transition is still unknown despite numerous studies. Inspired by the crystal structure of a B-Z junction and the previous zipper model, we show here, with the aid of molecular dynamics simulations, that a stepwise propagation of a B-Z junction is a highly probable pathway for the B-Z transition. In this paper, the movement of a B-Z junction by a two-base-pair step in a double-strand nonamer, [d(GpCpGpCpGpCpGpCpG)](2), is considered. Targeted molecular dynamics simulations and umbrella sampling for this transition resulted in a transition pathway with a free energy barrier of 13 kcal/mol. This barrier is much more favorable than those obtained from previous atomistic simulations that lead to concerted transitions of the whole strands. The free energy difference between B-DNA and Z-DNA evaluated from our simulation is 0.9 kcal/mol per dinucleotide unit, which is consistent with previous experiments. The current computation thus strongly supports the proposal that the B-Z transition involves a relatively fast extension of B-DNA or Z-DNA by sequential propagation of B-Z junctions once nucleation of junctions is established.

Transition Metal Carbides and Nitrides in Energy Storage and Conversion

PubMed Central

Zhong, Yu; Shi, Fan; Zhan, Jiye; Tu, Jiangping

2016-01-01

High‐performance electrode materials are the key to advances in the areas of energy conversion and storage (e.g., fuel cells and batteries). In this Review, recent progress in the synthesis and electrochemical application of transition metal carbides (TMCs) and nitrides (TMNs) for energy storage and conversion is summarized. Their electrochemical properties in Li‐ion and Na‐ion batteries as well as in supercapacitors, and electrocatalytic reactions (oxygen evolution and reduction reactions, and hydrogen evolution reaction) are discussed in association with their crystal structure/morphology/composition. Advantages and benefits of nanostructuring (e.g., 2D MXenes) are highlighted. Prospects of future research trends in rational design of high‐performance TMCs and TMNs electrodes are provided at the end. PMID:27812464

Dynamic energy models and carbon mitigation policies

NASA Astrophysics Data System (ADS)

Tilley, Luke A.

In this dissertation I examine a specific class of energy models and their implications for carbon mitigation policies. The class of models includes a production function capable of reproducing the empirically observed phenomenon of short run rigidity of energy use in response to energy price changes and long run exibility of energy use in response to energy price changes. I use a theoretical model, parameterized using empirical data, to simulate economic performance under several tax regimes where taxes are levied on capital income, investment, and energy. I also investigate transitions from one tax regime to another. I find that energy taxes intended to reduce energy use can successfully achieve those goals with minimal or even positive impacts on macroeconomic performance. But the transition paths to new steady states are lengthy, making political commitment to such policies very challenging.

Europe in the energy transition: the case for a smaller population.

PubMed

Grant, L

1988-07-01

Europe has not yet reached a sustainable society, that is, like the rest of the world, its people cannot live comfortably within its resources, but, it has achieved stabilizing population growth, a control on a potentially dangerous dependency on imported food, an adjustment to the transition from the colonial era, and a position conducive to deal with the energy transition. Europe is the most densely population region of the world, except for Japan. Concern about depopulation in western Europe is misplaced because European populations are on a plateau not a decline, and a lower population is a benefit when confronting resource and environmental constraints. World oil production is expected to peak and then to decline depending on demand, prices, and technology. European oil production will decline, and the United Kingdom will become a net importer in the mid-1990s. The environmental transition is described as more complex than finding a substitute for oil, in part because Europe, unlike the US, has limited fossil fuel resources which are also less accessible. Biomass as the alternative to fossil fuels must be produced on lands currently in food or forestry production. Also corn and bagasse production is not suited to for growing the European climate. Nuclear energy, with its safety and disposal problems, is only an interim solution. Hydropower development is expensive, and solar power is unsuitable because of the continual cloud cover. Wind power is possible but expensive at low wind levels, and the whole of western Europe is relatively unsuitable. Capital creates wealth, and unemployment is Europe's present problem. Large populations in the current technological revolution do not create greater wealth or military security. Europe and Japan have arrived at the population/energy/environment problem first, and many questions remain as to how to manage the age structure, how to maintain innovation and creativity, and how to maintain a prosperous steady state economy.

Simulation study of free-energy barriers in the wetting transition of an oily fluid on a rough surface with reentrant geometry.

PubMed

Savoy, Elizabeth S; Escobedo, Fernando A

2012-11-20

When in contact with a rough solid surface, fluids with low surface tension, such as oils and alkanes, have their lowest free energy in the fully wetted state. For applications where nonwetting by these phillic fluids is desired, some barrier must be introduced to maintain the nonwetted composite state. One way to create this free-energy barrier is to fabricate roughness with reentrant geometry, but the question remains as to whether the free-energy barrier is sufficiently high to prevent wetting. Our goal is to quantify the free-energy landscape for the wetting transition of an oily fluid on a surface of nails and identify significant surface features and conditions that maximize the wetting free-energy barrier (ΔGfwd*). This is a departure from most work on wetting, which focuses on the equilibrium composite and wetted states. We use boxed molecular dynamics (BXD) (Glowacki, D. R.; Paci, E.; Shalashilin, D. V. J. Phys. Chem. B2009, 113, 16603-16611) with a modified control scheme to evaluate both the thermodynamics and kinetics of the transition over a range of surface affinities (chemistry). We find that the reentrant geometry of the nails does create a free-energy barrier to transition for phillic chemistry whereas a corresponding system on straight posts wets spontaneously and, that doubling the nail height more than doubles ΔGfwd*. For neutral to phillic chemistry, the dewetting free-energy barrier is at least an order of magnitude higher than that for wetting, indicating an essentially irreversible wetting transition. Transition rates from BXD simulations and the associated trends agree well with those in our previous study that used forward flux sampling to compute transition rates for similar systems.

High-energy cosmic-ray electrons - A new measurement using transition-radiation detectors

NASA Technical Reports Server (NTRS)

Hartmann, G.; Mueller, D.; Prince, T.

1977-01-01

A new detector for cosmic-ray electrons, consisting of a combination of a transition-radiation detector and a shower detector, has been constructed, calibrated at accelerator beams, and exposed in a balloon flight under 5 g/sq cm of atmosphere. The design of this instrument and the methods of data analysis are described. Preliminary results in the energy range 9-300 GeV are presented. The energy spectrum of electrons is found to be significantly steeper than that of protons, consistent with a long escape lifetime of cosmic rays in the galaxy.

Creating energy citizenship through material participation.

PubMed

Ryghaug, Marianne; Skjølsvold, Tomas Moe; Heidenreich, Sara

2018-04-01

Transitions towards low-carbon energy systems will be comprehensive and demanding, requiring substantial public support. One important contribution from STS is to highlight the roles of citizens and public engagement. Until recently, energy users have often been treated as customers and passive market actors, or as recipients of technology at the margins of centralized systems. With respect to the latter role, critical or hesitant public action has been explained in terms of NIMBYism and knowledge deficits. This article focuses on the production of energy citizenship when considering public participation in low-carbon energy transitions. We draw upon the theory of 'material participation' to highlight how introducing and using emergent energy technologies may create new energy practices. We analyze an ongoing introduction of new material objects, highlighting the way these technologies can be seen as material interventions co-constructing temporalities of new and sustainable practices. We argue that artefacts such as the electric car, the smart meter and photovoltaic panels may become objects of participation and engagement, and that the introduction of such technologies may foster material participation and energy citizenship. The paper concludes with a discussion about the role of policies for low-carbon energy transitions on the making of energy citizenship, as well as limits of introducing a materially based energy citizenship.

Benchmarking transition energies and emission strengths for X-ray astrophysics with measurements at the Livermore EBITs

NASA Astrophysics Data System (ADS)

Hell, Natalie

2017-03-01

K-shell transitions in astrophysically abundant metals and L-shell transitions in Fe group elements show characteristic signatures in the soft X-ray spectrum in the energy range 0.1-10 keV. These signatures have great diagnostic value for plasma parameters such as electron and ion temperatures and densities, and can thus help understand the physics controlling the energetic processes in astrophysical sources. This diagnostic power increases with advances in spectral resolution and effective area of the employed X-ray observatories. However, to make optimal use of the diagnostic potential - whether through global spectral modeling or through diagnostics from local modeling of individual lines - the underlying atomic physics has to be complete and well known. With the next generation of soft X-ray observatories featuring micro-calorimeters such as the SXS on Astro-H /Hitomi and the X-IFU on Athena, broadband high-resolution spectroscopy with large effective area will become more commonly available in the next decade. With these spectrometers, the accuracy of the plasma parameters derived from spectral modeling will be limited by the uncertainty of the reference atomic data rather than by instrumental factors, as is sometimes already the case for the high-resolution grating observations with Chandra-HETG and XMM-Newton-RGS. To take full advantage of the measured spectra, assessment of the accuracy of and improvements to the available atomic reference data are therefore important. Dedicated measurements in the laboratory are essential to benchmark the theoretical calculations providing the bulk of the reference data used in astrophysics. Experiments at the Lawrence Livermore National Laboratory electron beam ion traps (EBIT-I and SuperEBIT) have a long history of providing this service. In this work, I present new measurements of transition energies and absolute electron impact excitation cross sections geared towards currently open atomic physics data needs. First, I

When Does Energy Storage Make Sense? It Depends. | State, Local, and Tribal

Science.gov Websites

low (e.g., in the middle of the night) and discharging when the energy cost is high (e.g., late Governments | NREL When Does Energy Storage Make Sense? It Depends. When Does Energy Storage favorite response to just about every question. But "it depends" is an appropriate response when

NASA Earth Observations Informing Energy Management Decision Making

NASA Technical Reports Server (NTRS)

Eckman, Richard; Stackhouse, Paul

2017-01-01

The Energy Sector is experiencing increasing impacts from severe weather and shifting climatic trends, as well as facing a changing political climate, adding uncertainty for stakeholders as they make short- and long-term planning investments. Climate changes such as prolonged extreme heat and drought (leading to wildfire spread, for example), sea level rise, and extreme storms are changing the ways that utilities operate. Energy infrastructure located in coastal or flood-prone areas faces inundation risks, such as damage to energy facilities. The use of renewable energy resources is increasing, requiring more information about their intermittency and spatial patterns. In light of these challenges, public and private stakeholders have collaborated to identify potential data sources, tools, and programmatic ideas. For example, utilities across the country are using cutting-edge technology and data to plan for and adapt to these changes. In the Federal Government, NASA has invested in preliminary work to identify needs and opportunities for satellite data in energy sector application, and the Department of Energy has similarly brought together stakeholders to understand the landscape of climate vulnerability and resilience for utilities and others. However, have these efforts improved community-scale resilience and adaptation efforts? Further, some communities are more vulnerable to climate change and infrastructure impacts than others. This session has two goals. First, panelists seek to share existing and ongoing efforts related to energy management. Second, the session seeks to engage with attendees via group knowledge exchange to connect national energy management efforts to local practice for increased community resilience.

Instability of Insulators near Quantum Phase Transitions

NASA Astrophysics Data System (ADS)

Doron, A.; Tamir, I.; Levinson, T.; Ovadia, M.; Sacépé, B.; Shahar, D.

2017-12-01

Thin films of amorphous indium oxide undergo a magnetic field driven superconducting to insulator quantum phase transition. In the insulating phase, the current-voltage characteristics show large current discontinuities due to overheating of electrons. We show that the onset voltage for the discontinuities vanishes as we approach the quantum critical point. As a result, the insulating phase becomes unstable with respect to any applied voltage making it, at least experimentally, immeasurable. We emphasize that unlike previous reports of the absence of linear response near quantum phase transitions, in our system, the departure from equilibrium is discontinuous. Because the conditions for these discontinuities are satisfied in most insulators at low temperatures, and due to the decay of all characteristic energy scales near quantum phase transitions, we believe that this instability is general and should occur in various systems while approaching their quantum critical point. Accounting for this instability is crucial for determining the critical behavior of systems near the transition.

New insights in the electroweak phase transition in the NMSSM

NASA Astrophysics Data System (ADS)

Huang, Weicong; Kang, Zhaofeng; Shu, Jing; Wu, Peiwen; Yang, Jin Min

2015-01-01

We perform a detailed semianalytical analysis of the electroweak phase transition (EWPT) property in the Next-to-Minimal Supersymmetric standard model, which serves as a good benchmark model in which the 126 GeV Higgs mixes with a singlet. In this case, a strongly first-order electroweak phase transition (SFOEWPT) is achieved by the tree-level effects, and the phase transition strength γc is determined by the vacua energy gap at T =0 . We make an anatomy of the energy gap at both tree level and loop level and extract out a dimensionless phase transition parameter Rκ≡4 κ vs/Aκ, which can replace Aκ in the parameterization and affect the light CP-odd/even Higgs spectra. We find that SFOEWPT only occurs in Rκ˜-1 and positive Rκ≲O (10 ), which in the non-PQ limit case would prefer either a relatively light CP-odd or CP-even Higgs boson ˜(60 ,100 ) GeV , and therefore serves as a smoking gun signal and requires new search strategies at the LHC.

Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lentz, Levi C.; Kolb, Brian; Kolpak, Alexie M.

Layered transition metal phosphates and phosphites (TMPs) are a class of 2D materials bound togetherviavan der Waals interactions. Through simple functionalization, band energies can be systematically controlled.

Influence of dense plasma on the energy levels and transition properties in highly charged ions

NASA Astrophysics Data System (ADS)

Chen, Zhan-Bin; Hu, Hong-Wei; Ma, Kun; Liu, Xiao-Bin; Guo, Xue-Ling; Li, Shuang; Zhu, Bo-Hong; Huang, Lian; Wang, Kai

2018-03-01

The studies of the influence of plasma environments on the level structures and transition properties for highly charged ions are presented. For the relativistic treatment, we implemented the multiconfiguration Dirac-Fock method incorporating the ion sphere (IS) model potential, in which the plasma screening is taken into account as a modified interaction potential between the electron and the nucleus. For the nonrelativistic treatment, analytical solutions of the Schrödinger equation with two types of the IS screened potential are proposed. The Ritz variation method is used with hydrogenic wave function as a trial wave function that contains two unknown variational parameters. Bound energies are derived from an energy equation, and the variational parameters are obtained from the minimisation condition of the expectation value of the energy. Numerical results for hydrogen-like ions in dense plasmas are presented as examples. A detailed analysis of the influence of relativistic effects on the energy levels and transition properties is also reported. Our results are compared with available results in the literature showing a good quantitative agreement.

Energies, Wavelengths, and Transition Rates for Ga-Like Ions (Nd XXX-Tb XXXV)

NASA Astrophysics Data System (ADS)

El-Sayed, Fatma; Attia, S. M.

2016-03-01

Energies, wavelengths, transition probabilities, oscillator strengths, and line strengths have been calculated for 4s24p-4s4p2 and 4s24p-4s24d transitions in gallium-like ions from Z = 60 to 65, for Nd XXX, Pm XXXI, Sm XXXII, Eu XXXIII, Gd XXXIV, and Tb XXXV using the fully relativistic multiconfi guration Dirac-Fock method. The correlation with the n = 4 complex and the quantum electrodynamic effects have been considered in the calculations. The obtained results have been compared with the available experimental and other theoretical results.

Public sector energy management: A strategy for catalyzing energy efficiency in Malaysia

NASA Astrophysics Data System (ADS)

Roy, Anish Kumar

To date the public sector role in facilitating the transition to a sustainable energy future has been envisaged mainly from a regulatory perspective. In such a role, the public sector provides the push factors---enforcing regulations and providing incentives---to correct market imperfections that impede energy transitions. An alternative and complementary role of the public sector that is now gaining increasing attention is that of catalyzing energy transitions through public sector energy management initiatives. This dissertation offers a conceptual framework to rationalize such a role for the public sector by combining recent theories of sustainable energy transition and public management. In particular, the framework identifies innovative public management strategies (such as performance contracting and procurement) for effectively implementing sustainable energy projects in government facilities. The dissertation evaluates a model of sustainable public sector energy management for promoting energy efficiency in Malaysia. The public sector in Malaysia can be a major player in leading and catalyzing energy efficiency efforts as it is not only the largest and one of the most influential energy consumers, but it also plays a central role in setting national development strategy. The dissertation makes several recommendations on how a public sector energy management strategy can be implemented in Malaysia. The US Federal Energy Management Program (FEMP) is used as a practical model. The analysis, however, shows that in applying the FEMP model to the Malaysian context, there are a number of limitations that will have to be taken into consideration to enable a public sector energy management strategy to be effectively implemented. Overall the analysis of this dissertation contributes to a rethinking of the public sector role in sustainable energy development that can strengthen the sector's credibility both in terms of governance and institutional performance. In

Energy levels and radiative rates for transitions in Fe V, Co VI and Ni VII

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.

2017-03-01

Energy levels, Landé g-factors and radiative lifetimes are reported for the lowest 182 levels of the 3d4, 3d34s and 3d34p configurations of Fe V, Co VI and Ni VII. Additionally, radiative rates (A-values) have been calculated for the E1, E2 and M1 transitions among these levels. The calculations have been performed in a quasi-relativistic approach (QR) with a very large configuration interaction (CI) wavefunction expansion, which has been found to be necessary for these ions. Our calculated energies for all ions are in excellent agreement with the available measurements, for most levels. Discrepancies among various calculations for the radiative rates of E1 transitions in Fe V are up to a factor of two for stronger transitions (f ≥ 0.1), and larger (over an order of magnitude) for weaker ones. The reasons for these discrepancies have been discussed and mainly are due to the differing amount of CI and methodologies adopted. However, there are no appreciable discrepancies in similar data for M1 and E2 transitions, or the g-factors for the levels of Fe V, the only ion for which comparisons are feasible.

Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation.

PubMed

Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang

2016-09-07

A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method.

Transition Dipole Moments and Transition Probabilities of the CN Radical

NASA Astrophysics Data System (ADS)

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-04-01

This paper studies the transition probabilities of electric dipole transitions between 10 low-lying states of the CN radical. These states are X2Σ+, A2Π, B2Σ+, a4Σ+, b4Π, 14Σ‑, 24Π, 14Δ, 16Σ+, and 16Π. The potential energy curves are calculated using the CASSCF method, which is followed by the icMRCI approach with the Davidson correction. The transition dipole moments between different states are calculated. To improve the accuracy of potential energy curves, core–valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are included. The Franck–Condon factors and Einstein coefficients of emissions are calculated. The radiative lifetimes are determined for the vibrational levels of the A2Π, B2Σ+, b4Π, 14Σ‑, 24Π, 14Δ, and 16Π states. According to the transition probabilities and radiative lifetimes, some guidelines for detecting these states spectroscopically are proposed. The spin–orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The splitting energy in the A2Π state is determined to be 50.99 cm‑1, which compares well with the experimental ones. The potential energy curves, transition dipole moments, spectroscopic parameters, and transition probabilities reported in this paper can be considered to be very reliable. The results obtained here can be used as guidelines for detecting these transitions, in particular those that have not been measured in previous experiments or have not been observed in the Sun, comets, stellar atmospheres, dark interstellar clouds, and diffuse interstellar clouds.

A Bayesian Interpretation of First-Order Phase Transitions

NASA Astrophysics Data System (ADS)

Davis, Sergio; Peralta, Joaquín; Navarrete, Yasmín; González, Diego; Gutiérrez, Gonzalo

2016-03-01

In this work we review the formalism used in describing the thermodynamics of first-order phase transitions from the point of view of maximum entropy inference. We present the concepts of transition temperature, latent heat and entropy difference between phases as emergent from the more fundamental concept of internal energy, after a statistical inference analysis. We explicitly demonstrate this point of view by making inferences on a simple game, resulting in the same formalism as in thermodynamical phase transitions. We show that analogous quantities will inevitably arise in any problem of inferring the result of a yes/no question, given two different states of knowledge and information in the form of expectation values. This exposition may help to clarify the role of these thermodynamical quantities in the context of different first-order phase transitions such as the case of magnetic Hamiltonians (e.g. the Potts model).

More accurate depiction of adsorption energy on transition metals using work function as one additional descriptor.

PubMed

Shen, Xiaochen; Pan, Yanbo; Liu, Bin; Yang, Jinlong; Zeng, Jie; Peng, Zhenmeng

2017-05-24

The reaction mechanism and properties of a catalytic process are primarily determined by the interactions between reacting species and catalysts. However, the interactions are often challenging to be experimentally measured, especially for unstable intermediates. Therefore, it is of significant importance to establish an exact relationship between chemical-catalyst interactions and catalyst parameters, which will allow calculation of these interactions and thus advance their mechanistic understanding. Herein we report the description of adsorption energy on transition metals by considering both ionic bonding and covalent bonding contributions and introduce the work function as one additional responsible parameter. We find that the adsorption energy can be more accurately described using a two-dimensional (2D) polynomial model, which shows a significant improvement compared with the current adsorption energy-d-band center linear correlation. We also demonstrate the utilization of this new 2D polynomial model to calculate oxygen binding energy of different transition metals to help understand their catalytic properties in oxygen reduction reactions.

Exploring scaling relations for chemisorption energies on transition-metal-exchanged zeolites ZSM-22 and ZSM-5

DOE PAGES

Siahrostami, Samira; Falsig, Hanne; Beato, Pablo; ...

2016-01-12

Copper exchange on all the different T sites of ZSM-22 and ZSM-5 is considered and the chemisorption energies of dioxygen, OH, and O species are studied. We show that for different T sites the adsorption energies vary significantly. The oxygen adsorption energy on copper-exchanged zeolites is quite similar to those of the most selective catalysts for oxidation reactions, that is, Ag and Au surfaces. The chemisorption energies of oxygen, carbon-, and nitrogen-containing species on different transition metals exchanged in ZSM-22 are also investigated. The study covers three different oxidation states, that is, 1+, 2+, and 3+ for the transition-metal exchanges.more » Scaling relations are presented for the corresponding species. Lastly, chemisorption of O scales with chemisorption of OH for all three considered exchanges, whereas there are essentially rough correlations for NH 2 and N as well as CH 3 and C.« less

Energy and environmental policy in a period of transition. Proceedings of the twenty-third annual Illinois energy conference

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1995-12-31

The Twenty-Third Annual Illinois Energy Conference entitled, ``Energy and Environmental Policy in a Period of Transition`` was held in Chicago, Illinois on November 20--21, 1995. The conference program explored how federal policy in energy and environment is changing and how these shifts will impact the economy of the Midwest. The conference was divided in four plenary sessions. Session 1 focused on the national policy scene where speakers discussed proposed legislation to change federal energy and environmental policy. Session 2 looked at the future structure of the energy industry, projecting the roles of natural gas, the electric utility industry, and independentmore » power producers in the overall energy system of the 21st century. Session 3 examined current federal policy in research and development as a baseline for discussing the future role of government and industry in supporting research and development. In particular, it looked at the relationship between energy research and development and global competitiveness. Finally, Session 4 attempted to tie these issues together and consider the impact of national policy change on Illinois and the Midwest.« less

Enhancement of elliptic flow can signal a first-order phase transition in high-energy heavy-ion collisions

NASA Astrophysics Data System (ADS)

Nara, Yasushi; Niemi, Harri; Ohnishi, Akira; Steinheimer, Jan; Luo, Xiaofeng; Stöcker, Horst

2018-02-01

The beam energy dependence of the elliptic flow, v2, is studied in mid-central Au+Au collisions in the energy range of 3≤ √{s_{NN}} ≤ 30 GeV within the microscopic transport model JAM. The results of three different modes of JAM are compared; cascade-, hadronic mean field-, and a new mode with modified equations of state, with a first-order phase transition and with a crossover transition. The standard hadronic mean field suppresses the elliptic flow v2, while the inclusion of the effects of a first-order phase transition (and also of a crossover transition) does enhance the elliptic flow at √{s_{NN}} < 30 GeV. This is due to the high sensitivity of v2 on the early, compression stage, pressure gradients of the systems created in high-energy heavy-ion collisions. The enhancement or suppression of the scaled energy flow, dubbed "elliptic flow", v2= <(px2-py2)/pT2 >, is understood as being due to out-of-plane flow, py > px, i.e. v2 < 0, dubbed out of plane - "squeeze-out", which occurs predominantly in the early, compression stage. Subsequently, the in-plane flow dominates, px > py, in the expansion stage, v2 > 0. The directed flow, v1(y) = < px(y)/pT(y)>, dubbed "bounce-off", is an independent measure of the pressure, which quickly builds up the transverse momentum transfer in the reaction plane. When the spectator matter leaves the participant fireball region, where the highest compression occurs, a hard expansion leads to larger v2. A combined analysis of the three transverse flow coefficients, radial v0 ˜ v_{\\perp}-, directed v1- and elliptic v2- flow of nucleons, in the beam energy range 3≤√{s_{NN}} ≤ 10 GeV, distinguishes the different compression and expansion scenarios: a characteristic dependence on the early stage equation of state is observed. The enhancement of both the elliptic and the transverse radial flow and the simultaneous collapse of the directed flow of nucleons offers a clear signature if a first-order phase transition is realized

Nutrition transition and dietary energy availability in Eastern Europe after the collapse of communism.

PubMed

Ulijaszek, Stanley J; Koziel, Slawomir

2007-12-01

After the economic transition of the late 1980s and early 1990s there was a rapid increase in overweight and obesity in many countries of Eastern Europe. This article describes changing availability of dietary energy from major dietary components since the transition to free-market economic systems among Eastern European nations, using food balance data obtained at national level for the years 1990-92 and 2005 from the FAOSTAT-Nutrition database. Dietary energy available to the East European nations satellite to the former Soviet Union (henceforth, Eastern Europe) was greater than in the nations of the former Soviet Union. Among the latter, the Western nations of the former Soviet Union had greater dietary energy availability than the Eastern and Southern nations of the former Soviet Union. The higher energy availability in Eastern Europe relative to the nations of the former Soviet Union consists mostly of high-protein foods. There has been no significant change in overall dietary energy availability to any category of East European nation between 1990-1992 and 2005, indicating that, at the macro-level, increasing rates of obesity in Eastern European countries cannot be attributed to increased dietary energy availability. The most plausible macro-level explanations for the obesity patterns observed in East European nations are declines in physical activity, increased real income, and increased consumption of goods that contribute to physical activity decline: cars, televisions and computers.

Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

PubMed

Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

2014-10-22

We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

A simple model of entropy relaxation for explaining effective activation energy behavior below the glass transition temperature.

PubMed

Bisquert, Juan; Henn, François; Giuntini, Jean-Charles

2005-03-01

Strong changes in relaxation rates observed at the glass transition region are frequently explained in terms of a physical singularity of the molecular motions. We show that the unexpected trends and values for activation energy and preexponential factor of the relaxation time tau, obtained at the glass transition from the analysis of the thermally stimulated current signal, result from the use of the Arrhenius law for treating the experimental data obtained in nonstationary experimental conditions. We then demonstrate that a simple model of structural relaxation based on a time dependent configurational entropy and Adam-Gibbs relaxation time is sufficient to explain the experimental behavior, without invoking a kinetic singularity at the glass transition region. The pronounced variation of the effective activation energy appears as a dynamic signature of entropy relaxation that governs the change of relaxation time in nonstationary conditions. A connection is demonstrated between the peak of apparent activation energy measured in nonequilibrium dielectric techniques, with the overshoot of the dynamic specific heat that is obtained in calorimetry techniques.

Transit time spreads in biased paracentric hemispherical deflection analyzers

NASA Astrophysics Data System (ADS)

Sise, Omer; Zouros, Theo J. M.

2016-02-01

The biased paracentric hemispherical deflection analyzers (HDAs) are an alternative to conventional (centric) HDAs maintaining greater dispersion, lower angular aberrations, and hence better energy resolution without the use of any additional fringing field correctors. In the present work, the transit time spread of the biased paracentric HDA is computed over a wide range of analyzer parameters. The combination of high energy resolution with good time resolution and simplicity of design makes the biased paracentric analyzers very promising for both coincidence and singles spectroscopy applications.

Students' Energy Concepts at the Transition Between Primary and Secondary School

NASA Astrophysics Data System (ADS)

Opitz, Sebastian T.; Harms, Ute; Neumann, Knut; Kowalzik, Kristin; Frank, Arne

2015-10-01

Energy is considered both a core idea and a crosscutting concept in science education. A thorough understanding of the energy concept is thought to help students learn about other (related) concepts within and across science subjects, thereby fostering scientific literacy. This study investigates students' progression in understanding the energy concept in biological contexts at the transition from primary to lower secondary school by employing a quantitative, cross-sectional study in grades 3-6 ( N = 540) using complex multiple-choice items. Based on a model developed in a previous study, energy concepts were assessed along four aspects of energy: (1) forms and sources of energy, (2) transfer and transformation, (3) degradation and dissipation, and (4) energy conservation. Two parallel test forms (A and B) indicated energy concept scores to increase significantly by a factor of 2.3 (A)/1.7 (B) from grade 3 to grade 6. Students were observed to progress in their understanding of all four aspects of the concept and scored highest on items for energy forms. The lowest scores and the smallest gain across grades were found for energy conservation. Based on our results, we argue that despite numerous learning opportunities, students lack a more integrated understanding of energy at this stage, underlining the requirement of a more explicit approach to teaching energy to young learners. Likewise, more interdisciplinary links for energy learning between relevant contexts in each science discipline may enable older students to more efficiently use energy as a tool and crosscutting concept with which to analyze complex content.

Optical transition radiation used in the diagnostic of low energy and low current electron beams in particle accelerators.

PubMed

Silva, T F; Bonini, A L; Lima, R R; Maidana, N L; Malafronte, A A; Pascholati, P R; Vanin, V R; Martins, M N

2012-09-01

Optical transition radiation (OTR) plays an important role in beam diagnostics for high energy particle accelerators. Its linear intensity with beam current is a great advantage as compared to fluorescent screens, which are subject to saturation. Moreover, the measurement of the angular distribution of the emitted radiation enables the determination of many beam parameters in a single observation point. However, few works deals with the application of OTR to monitor low energy beams. In this work we describe the design of an OTR based beam monitor used to measure the transverse beam charge distribution of the 1.9-MeV electron beam of the linac injector of the IFUSP microtron using a standard vision machine camera. The average beam current in pulsed operation mode is of the order of tens of nano-Amps. Low energy and low beam current make OTR observation difficult. To improve sensitivity, the beam incidence angle on the target was chosen to maximize the photon flux in the camera field-of-view. Measurements that assess OTR observation (linearity with beam current, polarization, and spectrum shape) are presented, as well as a typical 1.9-MeV electron beam charge distribution obtained from OTR. Some aspects of emittance measurement using this device are also discussed.

Twenty-First Century Energy Policy Making in New Hampshire: Lessons for Collaboration

NASA Astrophysics Data System (ADS)

Herndon, Henry Phillip

In this thesis I investigate the organizational field that is New Hampshire's energy policy-making community as it engages with the state regulatory institution, the Public Utilities Commission, to grapple the challenges of designing a 21st century electricity marketplace. The Public Utilities Commission structure and function are evolving. Historically, the Commission has used adjudicative proceedings to carry out a ratemaking function for monopoly utilities. The Commission's adjudicative process is evolving to become increasingly collaborative as it begins to carry out its new function of 21st century electricity market design. I analyze both the new structure (collaboration) and the new function (21 st century electricity market design) of the Commission through three in-depth case studies of dockets (policy-making processes): Energy Efficiency Resource Standard, Electric Grid Modernization, and Net Metering. My findings identify ways in which the Public Utilities Commission structure for making energy policy decisions is flexible and may be shaped by stakeholders engaging in policy processes. Stakeholders have the power to collectively design regulatory proceedings to incorporate greater opportunities for collaboration to better suit the challenges posed by a 21st century electricity sector. I provide recommendations on how that redesign should occur.

Renewable Energy Data, Analysis, and Decisions: A Guide for Practitioners

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cox, Sarah L; Lopez, Anthony J; Watson, Andrea C

High-quality renewable energy resource data and other geographic information system (GIS) data are essential for the transition to a clean energy economy that prioritizes local resources, improves resiliency, creates jobs, and promotes energy independence. This guide is intended to support policymakers and planners, as well as technical experts, consultants, and academics in incorporating improved data and analysis into renewable energy decision-making.

Free energy landscape and transition pathways from Watson–Crick to Hoogsteen base pairing in free duplex DNA

PubMed Central

Yang, Changwon; Kim, Eunae; Pak, Youngshang

2015-01-01

Houghton (HG) base pairing plays a central role in the DNA binding of proteins and small ligands. Probing detailed transition mechanism from Watson–Crick (WC) to HG base pair (bp) formation in duplex DNAs is of fundamental importance in terms of revealing intrinsic functions of double helical DNAs beyond their sequence determined functions. We investigated a free energy landscape of a free B-DNA with an adenosine–thymine (A–T) rich sequence to probe its conformational transition pathways from WC to HG base pairing. The free energy landscape was computed with a state-of-art two-dimensional umbrella molecular dynamics simulation at the all-atom level. The present simulation showed that in an isolated duplex DNA, the spontaneous transition from WC to HG bp takes place via multiple pathways. Notably, base flipping into the major and minor grooves was found to play an important role in forming these multiple transition pathways. This finding suggests that naked B-DNA under normal conditions has an inherent ability to form HG bps via spontaneous base opening events. PMID:26250116

Alameda-Contra Costa Transit District (AC Transit) Fuel Cell Transit Buses : Evaluation Results Update

DOT National Transportation Integrated Search

2007-10-01

In early 2007, the National Renewable Energy Laboratory (NREL) published a preliminary evaluation results report1 (April through November 2006) on hydrogen fuel cell and diesel buses operating at Alameda-Contra Costa Transit District (AC Transit) in ...

Energy transfer enhancement by oxygen perturbation of spin-forbidden electronic transitions in aromatic systems

NASA Astrophysics Data System (ADS)

Monguzzi, A.; Tubino, R.; Salamone, M. M.; Meinardi, F.

2010-09-01

Triplet-triplet energy transfer in multicomponent organic systems is usually entirely ascribed to a Dexter-type mechanism involving only short-range donor/acceptor interactions. We demonstrate that the presence of molecular oxygen introduces a perturbation to the electronic structure of one of the involved moieties which can induce a large increase in the spin-forbidden transition oscillator strength so that the otherwise negligible Förster contribution dominates the overall energy transfer rate.

Global Warming and Energy Transition: A Public Policy Imperative

NASA Astrophysics Data System (ADS)

Stone, G. T.

2006-12-01

The historic transition from fossil fuels to alternative energy resources has begun. This development is commonly attributed to increasing energy costs and the need for energy security. Looming ever larger, however, is the issue that will soon drive the third energy revolution: global warming. A preponderance of evidence documents accelerating warming, enlarging impacts, and human causes -- principally combustion of fossil fuels. The carbon dioxide (C02) content of Earth's atmosphere has increased more than 35 percent since the beginning of the industrial revolution and is the highest in 650,000 years. This dramatic rise of C02 and attendant positive feedbacks are already forcing significant impacts worldwide. These include atmospheric warming with shifting climatic and habitat zones, spreading tropical disease, and more extreme weather events; rapid ice loss at high latitude and high altitude; ocean warming and acidification with coral reef bleaching and intensifying tropical storms; rising sea level; and accelerating extinction rates. The 2007 draft report of the Intergovernmental Panel on Climate Change (IPCC) predicts greater warming than in previous models. A tipping point to abrupt climate change may be imminent. It is incumbent upon geoscientists and geoscience educators to assume leadership in addressing this challenge through public outreach and general education. The following topics should be integrated into all appropriate courses: the evidence of global warming and its causes; observed present and predicted future impacts of global warming; mitigation and adaptation strategies; and implications for energy policies and economic opportunities. New entry-level science and general education courses -- such as Climate Change Fundamentals and Energy in Nature, Technology, and Society -- are proving to be effective should be widely developed In addition, by workshops and presentations to civic and business organizations and by demonstrated examples of

Transition-Metal Chalcogenide/Graphene Ensembles for Light-Induced Energy Applications.

PubMed

Kagkoura, Antonia; Skaltsas, Theodosis; Tagmatarchis, Nikos

2017-09-21

Recently, nanomaterials that harvest solar energy and convert it to other forms of energy are of great interest. In this context, transition metal chalcogenides (TMCs) have recently been in the spotlight due to their optoelectronic properties that render them potential candidates mainly in energy conversion applications. Integration of TMCs onto a strong electron-accepting material, such as graphene, yielding novel TMC/graphene ensembles is of high significance, since photoinduced charge-transfer phenomena, leading to intra-ensemble charge separation, may occur. In this review, we highlight the utility of TMC/graphene ensembles, with a specific focus on latest trends in applications, while their synthetic routes are also discussed. In fact, TMC/graphene ensembles are photocatalytically active and superior as compared to intact TMCs analogues, when examined toward photocatalytic H 2 evolution, dye degradation and redox transformations of organic compounds. Moreover, TMC/graphene ensembles have shown excellent prospect when employed in photovoltaics and biosensing applications. Finally, the future prospects of such materials are outlined. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Creating energy citizenship through material participation

PubMed Central

Ryghaug, Marianne; Skjølsvold, Tomas Moe

2018-01-01

Transitions towards low-carbon energy systems will be comprehensive and demanding, requiring substantial public support. One important contribution from STS is to highlight the roles of citizens and public engagement. Until recently, energy users have often been treated as customers and passive market actors, or as recipients of technology at the margins of centralized systems. With respect to the latter role, critical or hesitant public action has been explained in terms of NIMBYism and knowledge deficits. This article focuses on the production of energy citizenship when considering public participation in low-carbon energy transitions. We draw upon the theory of ‘material participation’ to highlight how introducing and using emergent energy technologies may create new energy practices. We analyze an ongoing introduction of new material objects, highlighting the way these technologies can be seen as material interventions co-constructing temporalities of new and sustainable practices. We argue that artefacts such as the electric car, the smart meter and photovoltaic panels may become objects of participation and engagement, and that the introduction of such technologies may foster material participation and energy citizenship. The paper concludes with a discussion about the role of policies for low-carbon energy transitions on the making of energy citizenship, as well as limits of introducing a materially based energy citizenship. PMID:29648504

Transition Region Emission and the Energy Input to Thermal Plasma in Solar Flares

NASA Technical Reports Server (NTRS)

Holman, Gordon D.; Holman, Gordon D.; Dennis, Brian R.; Haga, Leah; Raymond, John C.; Panasyuk, Alexander

2005-01-01

Understanding the energetics of solar flares depends on obtaining reliable determinations of the energy input to flare plasma. X-ray observations of the thermal bremsstrahlung from hot flare plasma provide temperatures and emission measures which, along with estimates of the plasma volume, allow the energy content of this hot plasma to be computed. However, if thermal energy losses are significant or if significant energy goes directly into cooler plasma, this is only a lower limit on the total energy injected into thermal plasma during the flare. We use SOHO UVCS observations of O VI flare emission scattered by coronal O VI ions to deduce the flare emission at transition region temperatures between 100,000 K and 1 MK for the 2002 July 23 and other flares. We find that the radiated energy at these temperatures significantly increases the deduced energy input to the thermal plasma, but by an amount that is less than the uncertainty in the computed energies. Comparisons of computed thermal and nonthermal electron energies deduced from RHESSI, GOES, and UVCS are shown.

Energy levels and radiative rates for transitions in Cr-like Co IV and Ni V

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Bogdanovich, P.; Karpuškienė, R.; Keenan, F. P.; Kisielius, R.; Stancalie, V.

2016-01-01

We report calculations of energy levels and radiative rates (A-values) for transitions in Cr-like Co IV and Ni V. The quasi-relativistic Hartree-Fock (QRHF) code is adopted for calculating the data although GRASP (general-purpose relativistic atomic structure package) and flexible atomic code (FAC) have also been employed for comparison purposes. No radiative rates are available in the literature to compare with our results, but our calculated energies are in close agreement with those compiled by NIST for a majority of the levels. However, there are discrepancies for a few levels of up to 3%. The A-values are listed for all significantly contributing E1, E2 and M1 transitions, and the corresponding lifetimes reported, although unfortunately no previous theoretical or experimental results exist to compare with our data.

Ultra-high-rate pseudocapacitive energy storage in two-dimensional transition metal carbides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lukatskaya, Maria R.; Kota, Sankalp; Lin, Zifeng

In this study, the use of fast surface redox storage (pseudocapacitive) mechanisms can enable devices that store much more energy than electrical double-layer capacitors (EDLCs) and, unlike batteries, can do so quite rapidly. Yet, few pseudocapacitive transition metal oxides can provide a high power capability due to their low intrinsic electronic and ionic conductivity. Here we demonstrate that two-dimensional transition metal carbides (MXenes) can operate at rates exceeding those of conventional EDLCs, but still provide higher volumetric and areal capacitance than carbon, electrically conducting polymers or transition metal oxides. We applied two distinct designs for MXene electrode architectures with improvedmore » ion accessibility to redox-active sites. A macroporous Ti 3C 2T x MXene film delivered up to 210 F g –1 at scan rates of 10 V s –1, surpassing the best carbon supercapacitors known. In contrast, we show that MXene hydrogels are able to deliver volumetric capacitance of ~1,500 F cm –3 reaching the previously unmatched volumetric performance of RuO 2.« less

Ultra-high-rate pseudocapacitive energy storage in two-dimensional transition metal carbides

NASA Astrophysics Data System (ADS)

Lukatskaya, Maria R.; Kota, Sankalp; Lin, Zifeng; Zhao, Meng-Qiang; Shpigel, Netanel; Levi, Mikhael D.; Halim, Joseph; Taberna, Pierre-Louis; Barsoum, Michel W.; Simon, Patrice; Gogotsi, Yury

2017-08-01

The use of fast surface redox storage (pseudocapacitive) mechanisms can enable devices that store much more energy than electrical double-layer capacitors (EDLCs) and, unlike batteries, can do so quite rapidly. Yet, few pseudocapacitive transition metal oxides can provide a high power capability due to their low intrinsic electronic and ionic conductivity. Here we demonstrate that two-dimensional transition metal carbides (MXenes) can operate at rates exceeding those of conventional EDLCs, but still provide higher volumetric and areal capacitance than carbon, electrically conducting polymers or transition metal oxides. We applied two distinct designs for MXene electrode architectures with improved ion accessibility to redox-active sites. A macroporous Ti3C2Tx MXene film delivered up to 210 F g-1 at scan rates of 10 V s-1, surpassing the best carbon supercapacitors known. In contrast, we show that MXene hydrogels are able to deliver volumetric capacitance of ˜1,500 F cm-3 reaching the previously unmatched volumetric performance of RuO2.

Energy-resolved collision-induced dissociation studies of 1,10-phenanthroline complexes of the late first-row divalent transition metal cations: determination of the third sequential binding energies.

PubMed

Nose, Holliness; Chen, Yu; Rodgers, M T

2013-05-23

The third sequential binding energies of the late first-row divalent transition metal cations to 1,10-phenanthroline (Phen) are determined by energy-resolved collision-induced dissociation (CID) techniques using a guided ion beam tandem mass spectrometer. Five late first-row transition metal cations in their +2 oxidation states are examined including: Fe(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+). The kinetic energy dependent CID cross sections for loss of an intact Phen ligand from the M(2+)(Phen)3 complexes are modeled to obtain 0 and 298 K bond dissociation energies (BDEs) after accounting for the effects of the internal energy of the complexes, multiple ion-neutral collisions, and unimolecular decay rates. Electronic structure theory calculations at the B3LYP, BHandHLYP, and M06 levels of theory are employed to determine the structures and theoretical estimates for the first, second, and third sequential BDEs of the M(2+)(Phen)x complexes. B3LYP was found to deliver results that are most consistent with the measured values. Periodic trends in the binding of these complexes are examined and compared to the analogous complexes to the late first-row monovalent transition metal cations, Co(+), Ni(+), Cu(+), and Zn(+), previously investigated.

On the use of the energy probability distribution zeros in the study of phase transitions

NASA Astrophysics Data System (ADS)

Mól, L. A. S.; Rodrigues, R. G. M.; Stancioli, R. A.; Rocha, J. C. S.; Costa, B. V.

2018-04-01

This contribution is devoted to cover some technical aspects related to the use of the recently proposed energy probability distribution zeros in the study of phase transitions. This method is based on the partial knowledge of the partition function zeros and has been shown to be extremely efficient to precisely locate phase transition temperatures. It is based on an iterative method in such a way that the transition temperature can be approached at will. The iterative method will be detailed and some convergence issues that has been observed in its application to the 2D Ising model and to an artificial spin ice model will be shown, together with ways to circumvent them.

Monte Carlo simulations on atropisomerism of thienotriazolodiazepines applicable to slow transition phenomena using potential energy surfaces by ab initio molecular orbital calculations.

PubMed

Morikami, Kenji; Itezono, Yoshiko; Nishimoto, Masahiro; Ohta, Masateru

2014-01-01

Compounds with a medium-sized flexible ring often show atropisomerism that is caused by the high-energy barriers between long-lived conformers that can be isolated and often have different biological properties to each other. In this study, the frequency of the transition between the two stable conformers, aS and aR, of thienotriazolodiazepine compounds with flexible 7-membered rings was estimated computationally by Monte Carlo (MC) simulations and validated experimentally by NMR experiments. To estimate the energy barriers for transitions as precisely as possible, the potential energy (PE) surfaces used in the MC simulations were calculated by molecular orbital (MO) methods. To accomplish the MC simulations with the MO-based PE surfaces in a practical central processing unit (CPU) time, the MO-based PE of each conformer was pre-calculated and stored before the MC simulations, and then only referred to during the MC simulations. The activation energies for transitions calculated by the MC simulations agreed well with the experimental ΔG determined by the NMR experiments. The analysis of the transition trajectories of the MC simulations revealed that the transition occurred not only through the transition states, but also through many different transition paths. Our computational methods gave us quantitative estimates of atropisomerism of the thienotriazolodiazepine compounds in a practical period of time, and the method could be applicable for other slow-dynamics phenomena that cannot be investigated by other atomistic simulations.

The energy balance and pressure in the solar transition zone for network and active region features

NASA Technical Reports Server (NTRS)

Nicolas, K. R.; Bartoe, J.-D. F.; Brueckner, G. E.; Vanhoosier, M. E.

1979-01-01

The electron pressure and energy balance in the solar transition zone are determined for about 125 network and active region features on the basis of high spectral and spatial resolution extreme ultraviolet spectra. Si III line intensity ratios obtained from the Naval Research Laboratory high-resolution telescope and spectrograph during a rocket flight are used as diagnostics of electron density and pressure for solar features near 3.5 x 10 to the 4th K. Observed ratios are compared with the calculated dependence of the 1301 A/1312 A and 1301 A/1296 A line intensity ratios on electron density, temperature and pressure. Electron densities ranging from 2 x 10 to the 10th/cu cm to 10 to the 12th/cu cm and active region pressures from 3 x 10 to the 15th to 10 to the 16th/cu cm K are obtained. Energy balance calculations reveal the balance of the divergence of the conductive flux and turbulent energy dissipation by radiative energy losses in a plane-parallel homogeneous transition zone (fill factor of 1), and an energy source requirement for a cylindrical zone geometry (fill factor less than 0.04).

Surface energy exchanges along a tundra-forest transition and feedbacks to climate

USGS Publications Warehouse

Beringer, J.; Chapin, F. S.; Thompson, Catharine Copass; McGuire, A.D.

2005-01-01

Surface energy exchanges were measured in a sequence of five sites representing the major vegetation types in the transition from arctic tundra to forest. This is the major transition in vegetation structure in northern high latitudes. We examined the influence of vegetation structure on the rates of sensible heating and evapotranspiration to assess the potential feedbacks to climate if high-latitude warming were to change the distribution of these vegetation types. Measurements were made at Council on the Seward Peninsula, Alaska, at representative tundra, low shrub, tall shrub, woodland (treeline), and boreal forest sites. Structural differences across the transition from tundra to forest included an increase in the leaf area index (LAI) from 0.52 to 2.76, an increase in canopy height from 0.1 to 6.1 m, and a general increase in canopy complexity. These changes in vegetation structure resulted in a decrease in albedo from 0.19 to 0.10 as well as changes to the partitioning of energy at the surface. Bulk surface resistance to water vapor flux remained virtually constant across sites, apparently because the combined soil and moss evaporation decreased while transpiration increased along the transect from tundra to forest. In general, sites became relatively warmer and drier along the transect with the convective fluxes being increasingly dominated by sensible heating, as evident by an increasing Bowen ratio from 0.94 to 1.22. The difference in growing season average daily sensible heating between tundra and forest was 21 W m-2. Fluxes changed non-linearly along the transition, with both shrubs and trees substantially enhancing heat transfer to the atmosphere. These changes in vegetation structure that increase sensible heating could feed back to enhance warming at local to regional scales. The magnitude of these vegetation effects on potential high-latitude warming is two to three times greater than suggested by previous modeling studies. ?? 2005 Elsevier B.V. All

Research on efficiency evaluation model of integrated energy system based on hybrid multi-attribute decision-making.

PubMed

Li, Yan

2017-05-25

The efficiency evaluation model of integrated energy system, involving many influencing factors, and the attribute values are heterogeneous and non-deterministic, usually cannot give specific numerical or accurate probability distribution characteristics, making the final evaluation result deviation. According to the characteristics of the integrated energy system, a hybrid multi-attribute decision-making model is constructed. The evaluation model considers the decision maker's risk preference. In the evaluation of the efficiency of the integrated energy system, the evaluation value of some evaluation indexes is linguistic value, or the evaluation value of the evaluation experts is not consistent. These reasons lead to ambiguity in the decision information, usually in the form of uncertain linguistic values and numerical interval values. In this paper, the risk preference of decision maker is considered when constructing the evaluation model. Interval-valued multiple-attribute decision-making method and fuzzy linguistic multiple-attribute decision-making model are proposed. Finally, the mathematical model of efficiency evaluation of integrated energy system is constructed.

Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments

NASA Astrophysics Data System (ADS)

Mester, Dávid; Nagy, Péter R.; Kállay, Mihály

2018-03-01

A reduced-cost implementation of the second-order algebraic-diagrammatic construction [ADC(2)] method is presented. We introduce approximations by restricting virtual natural orbitals and natural auxiliary functions, which results, on average, in more than an order of magnitude speedup compared to conventional, density-fitting ADC(2) algorithms. The present scheme is the successor of our previous approach [D. Mester, P. R. Nagy, and M. Kállay, J. Chem. Phys. 146, 194102 (2017)], which has been successfully applied to obtain singlet excitation energies with the linear-response second-order coupled-cluster singles and doubles model. Here we report further methodological improvements and the extension of the method to compute singlet and triplet ADC(2) excitation energies and transition moments. The various approximations are carefully benchmarked, and conservative truncation thresholds are selected which guarantee errors much smaller than the intrinsic error of the ADC(2) method. Using the canonical values as reference, we find that the mean absolute error for both singlet and triplet ADC(2) excitation energies is 0.02 eV, while that for oscillator strengths is 0.001 a.u. The rigorous cutoff parameters together with the significantly reduced operation count and storage requirements allow us to obtain accurate ADC(2) excitation energies and transition properties using triple-ζ basis sets for systems of up to one hundred atoms.

X-alpha calculation of transition energies in multiply ionized atoms

NASA Technical Reports Server (NTRS)

Ringers, D. A.; Chen, M. H.

1974-01-01

It is shown that the accuracy of calculations can be improved if appropriate (different) values of alpha are used for each configuration. Alternatively, the Slater Transition state can be used, wherein a total energy difference is related to a difference in single electron eigenvalues. By a series expansion, the value of alpha for an excited configuration can be related to its value for the ground state configuration. The terms Delta alpha (delta Epsilon/delta alpha) exhibit a similar dependence on atomic number as the ground state values of alpha. Results of sample calculations are reported and compared with experiment.

Measurement of energy transitions for the decay radiations of 75Ge and 69Ge in a high purity germanium detector

NASA Astrophysics Data System (ADS)

Aydın, Güral; Usta, Metin; Oktay, Adem

2018-06-01

Photoactivation experiments have a wide range of application areas in nuclear, particle physics, and medical physics such as measuring energy levels and half-lifes of nuclei, experiments for understanding imaging methods in medicine, isotope production for patient treatment, radiation security and transportation, radiation therapy, and astrophysics processes. In this study, some energy transition values of the decay radiations of 75Ge and 69Ge, which are the products of photonuclear reactions (γ, n) with germanium isotopes (75Ge and 69Ge), were measured. The gamma spectrum as a result of atomic transitions were analysed by using a high purity semiconductor germanium detector and the energy transition values which are presented here were compared with the ones which are the best in literature. It was observed that the results presented are in agreement with literature in error range and some results have better precisions.

Energy levels, wavelengths, and transition rates of multipole transitions (E1, E2, M1, M2) in Au{sup 67+} and Au{sup 66+} ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hamasha, Safeia, E-mail: safeia@hu.edu.jo

2013-11-15

The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au{sup 67+}) and Al-like Au (Au{sup 66+}) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl{sup ′}, such that n=4,5,6,7. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are consideredmore » by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.« less

Free energy landscape and transition pathways from Watson-Crick to Hoogsteen base pairing in free duplex DNA.

PubMed

Yang, Changwon; Kim, Eunae; Pak, Youngshang

2015-09-18

Houghton (HG) base pairing plays a central role in the DNA binding of proteins and small ligands. Probing detailed transition mechanism from Watson-Crick (WC) to HG base pair (bp) formation in duplex DNAs is of fundamental importance in terms of revealing intrinsic functions of double helical DNAs beyond their sequence determined functions. We investigated a free energy landscape of a free B-DNA with an adenosine-thymine (A-T) rich sequence to probe its conformational transition pathways from WC to HG base pairing. The free energy landscape was computed with a state-of-art two-dimensional umbrella molecular dynamics simulation at the all-atom level. The present simulation showed that in an isolated duplex DNA, the spontaneous transition from WC to HG bp takes place via multiple pathways. Notably, base flipping into the major and minor grooves was found to play an important role in forming these multiple transition pathways. This finding suggests that naked B-DNA under normal conditions has an inherent ability to form HG bps via spontaneous base opening events. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Land use impacts of low-carbon energy system transition - the case of UK bioenergy deployment under the Carbon Plan

NASA Astrophysics Data System (ADS)

Konadu, D. D.; Sobral Mourao, Z.; Lupton, R.; Skelton, S.

2015-12-01

The UK Department of Energy and Climate Change has developed four low-carbon energy transition pathways - the Carbon Plan - towards achieving the legally binding 80% territorial greenhouse gas emissions reduction, stipulated in the 2008 Climate Change Act by 2050. All the pathways require increase in bioenergy deployment, of which a significant amount could be indigenously sourced from crops. But will increased domestic production of energy crops conflict with other land use and ecosystem priorities? To address this question, a coupled analysis of the four energy transition pathways and land use has been developed using an integrated resource accounting platform called ForeseerTM. The two systems are connected by the bioenergy component, and are projected forward in time to 2050, under different scenarios of energy crop composition and yield, and accounting for various constraints on land use for agriculture and ecosystem services. The results show between 7 and 61% of UK agricultural land could be required to meet bioenergy deployment projections under different combinations of crop yield and compositions for the transition pathways. This could result in competition for land for food production and other socio-economic and ecological land uses. Consequently, the potential role of bioenergy in achieving UK emissions reduction targets may face significant deployment challenges.

10 CFR 5.230 - Transition plans.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 1 2014-01-01 2014-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable to...

10 CFR 5.230 - Transition plans.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 1 2012-01-01 2012-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable to...

10 CFR 5.230 - Transition plans.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable to...

10 CFR 5.230 - Transition plans.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 1 2013-01-01 2013-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable to...

10 CFR 5.230 - Transition plans.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable to...

Impacts of industrial transition on water use intensity and energy-related carbon intensity in China: A spatio-temporal analysis during 2003-2012

NASA Astrophysics Data System (ADS)

Cai, J.; Yin, H.; Varis, O.

2016-12-01

China faces a complicated puzzle in balancing the country's trade-offs among water and energy security, economic competitiveness, and environmental sustainability. It is therefore of prime importance to comprehend China's water and energy security under the effect of its economic structural changes. Analyses on this entity still remain few and far between though, and a comprehensive picture has not been available that would help understand China's recent development in economic structure as well as its spatial features and links to water and energy security, and policy-making. Consequently, we addressed this information gap by performing an integrated and quantitative spatio-temporal analysis of the impacts of China's industrial transition on water use intensity (WUI) and energy-related carbon intensity (ERCI). Those two factors serve as the national targets of its water and energy security. Our results for the first time quantitatively demonstrated the following significant and novel information: 1) the primary industry (PI) appeared to dominate the WUI although its relative share decreased, and PI's WUI continued to be far higher than that of secondary and tertiary industries (SI and TI); 2) SI dominated in affecting the total ERCI at both national and provincial scales; 3) the total WUI and ERCI had a significant positive correlation.

Energy Levels and Oscillator Strengths for Allowed Transitions in S III

NASA Technical Reports Server (NTRS)

Tayal, S. S.

1995-01-01

We have calculated energy levels and oscillator strengths for dipole-allowed transitions between the terms belonging to the 3s(sup 2)3p(sup 2), 3s3p(sup 3), 3S(sup 2)3p3d, 3S(sup 2)3p4s, 3S(sup 2)3p4p and 3s(sup 2)3p4d configurations of S iii in the LS-coupling scheme. We used flexible radial functions and included a large number of configurations in the configuration-interaction expansions to ensure convergence. The calculated energy levels are in close agreement with the recent laboratory measurement. The present oscillator strengths are compared with other calculations and experiments and most of the existing discrepancies between the available calculations are resolved.

The transition to parenthood and well-being: the impact of partner status and work hour transitions.

PubMed

Keizer, Renske; Dykstra, Pearl A; Poortman, Anne-Rigt

2010-08-01

Using data from the first two waves of the Netherlands Kinship Panel Study for 338 women and 262 men, we examine the consequences of making the transition to parenthood for life satisfaction, loneliness, positive affect, negative affect, and partnership satisfaction. We extend previous work by taking transitions in partner status and work hours into account. Results show a moderate impact of becoming a parent on well-being. In so far as effects of making the transition to parenthood emerge, they are attributable to changes in partner status and work hours. First, the decrease in negative affect upon making the transition to motherhood is attributable to the group of women who increase their working hours. Second, the detrimental impact of making the transition to motherhood on partnership satisfaction is attributable to the group of new mothers who quit their job. Third, the detrimental impact of making the transition to fatherhood on loneliness is attributable to the group of new fathers who become married. There is one exception to this pattern of partner status and work hours as mechanisms for changes in well-being. Men who become fathers remain less satisfied with their partnership, even when transitions in partner status and work hours have been taken into account. In the discussion-section, we consider the possible underestimation of negative effects because of the focus on the continuously partnered. We also reflect on our results in the light of the high incidence of part-time work in the Netherlands and Dutch policies aimed at supporting new parents.

What determines transitions between energy- and moisture-limited evaporative regimes?

NASA Astrophysics Data System (ADS)

Haghighi, E.; Gianotti, D.; Akbar, R.; Salvucci, G.; Entekhabi, D.

2017-12-01

The relationship between evaporative fraction (EF) and soil moisture (SM) has traditionally been used in atmospheric and land-surface modeling communities to determine the strength of land-atmosphere coupling in the context of the dominant evaporative regime (energy- or moisture-limited). However, recent field observations reveal that EF-SM relationship is not unique and could vary substantially with surface and/or meteorological conditions. This implies that conventional EF-SM relationships (exclusive of surface and meteorological conditions) are embedded in more complex dependencies and that in fact it is a multi-dimensional function. To fill the fundamental knowledge gaps on the important role of varying surface and meteorological conditions not accounted for by the traditional evaporative regime conceptualization, we propose a generalized EF framework using a mechanistic pore-scale model for evaporation and energy partitioning over drying soil surfaces. Nonlinear interactions among the components of the surface energy balance are reflected in a critical SM that marks the onset of transition between energy- and moisture-limited evaporative regimes. The new generalized EF framework enables physically based estimates of the critical SM, and provides new insights into the origin of land surface EF partitioning linked to meteorological input data and the evolution of land surface temperature during surface drying that affect the relative efficiency of surface energy balance components. Our results offer new opportunities to advance predictive capabilities quantifying land-atmosphere coupling for a wide range of present and projected meteorological input data.

Energy Density is Not a Consistent Correlate of Adiposity in Women During the Menopausal Transition.

PubMed

Lafrenière, Jacynthe; Prud'homme, Denis; Brochu, Martin; Rabasa-Lhoret, Rémi; Lavoie, Jean-Marc; Doucet, Éric

2017-03-01

The association between the energy density (ED) of foods and adiposity has been reported previously. However, whether the contribution of ED to adiposity remains significant when controlled for energy intake (EI) and physical activity energy expenditure (PAEE) remains to be clearly established. We aimed to investigate the independent contribution of ED to variations in body composition in women during the menopausal transition. Sixty-seven women from the MONET cohort study were analyzed. Seven-day food records were used to assess EI and ED. Body composition (body fat mass (FM) and trunk-fat mass (TFM)) was measured with dual-energy X-ray absorptiometry; PAEE was assessed with accelerometers. This secondary analysis of data included measurements obtained at years 1 and 5 of the study. Mean ED was correlated with FM (r = 0.22; P = 0.04) and TFM (r = 0.22; P = 0.04) at year 1, but not at year 5. The multiple regression analysis showed that EI and ED contributed to 14% of the variance in FM and TFM at year 1. These results suggest that ED is a modest but inconsistent determinant of adiposity in healthy women at the time of the menopause transition.

Energy levels, oscillator strengths, and transition probabilities for sulfur-like scandium, Sc VI

NASA Astrophysics Data System (ADS)

El-Maaref, A. A.; Abou Halaka, M. M.; Saddeek, Yasser B.

2017-09-01

Energy levels, Oscillator strengths, and transition probabilities for sulfur-like scandium are calculated using CIV3 code. The calculations have been executed in an intermediate coupling scheme using Breit-Pauli Hamiltonian. The present calculations have been compared with the experimental data and other theoretical calculations. LANL code has been used to confirm the accuracy of the present calculations, where the calculations using CIV3 code agree well with the corresponding values by LANL code. The calculated energy levels and oscillator strengths are in reasonable agreement with the published experimental data and theoretical values. We have calculated lifetimes of some excited levels, as well.

Asymmetric shape transitions of epitaxial quantum dots

PubMed Central

2016-01-01

We construct a two-dimensional continuum model to describe the energetics of shape transitions in fully faceted epitaxial quantum dots (strained islands) via minimization of elastic energy and surface energy at fixed volume. The elastic energy of the island is based on a third-order approximation, enabling us to consider shape transitions between pyramids, domes, multifaceted domes and asymmetric intermediate states. The energetics of the shape transitions are determined by numerically calculating the facet lengths that minimize the energy of a given island type of prescribed island volume. By comparing the energy of different island types with the same volume and analysing the energy surface as a function of the island shape parameters, we determine the bifurcation diagram of equilibrium solutions and their stability, as well as the lowest barrier transition pathway for the island shape as a function of increasing volume. The main result is that the shape transition from pyramid to dome to multifaceted dome occurs through sequential nucleation of facets and involves asymmetric metastable transition shapes. We also explicitly determine the effect of corner energy (facet edge energy) on shape transitions and interpret the results in terms of the relative stability of asymmetric island shapes as observed in experiment. PMID:27436989

Using Constant Time Delay to Teach Braille and the Nemeth Code for Mathematics and Science Notation to Students Making the Transition from Print to Braille

ERIC Educational Resources Information Center

Ivy, Sarah E.; Hooper, Jonathan D.

2015-01-01

Introduction: Many students with adventitious vision loss or progressive vision loss need to transition from print to braille as a primary literacy medium. It is important that this transition is handled efficiently so that the student can have continued access to a literacy medium and make progress in the core curriculum. For this study, we used…

Trajectory phase transitions and dynamical Lee-Yang zeros of the Glauber-Ising chain.

PubMed

Hickey, James M; Flindt, Christian; Garrahan, Juan P

2013-07-01

We examine the generating function of the time-integrated energy for the one-dimensional Glauber-Ising model. At long times, the generating function takes on a large-deviation form and the associated cumulant generating function has singularities corresponding to continuous trajectory (or "space-time") phase transitions between paramagnetic trajectories and ferromagnetically or antiferromagnetically ordered trajectories. In the thermodynamic limit, the singularities make up a whole curve of critical points in the complex plane of the counting field. We evaluate analytically the generating function by mapping the generator of the biased dynamics to a non-Hermitian Hamiltonian of an associated quantum spin chain. We relate the trajectory phase transitions to the high-order cumulants of the time-integrated energy which we use to extract the dynamical Lee-Yang zeros of the generating function. This approach offers the possibility to detect continuous trajectory phase transitions from the finite-time behavior of measurable quantities.

Transitivity of Preferences

ERIC Educational Resources Information Center

Regenwetter, Michel; Dana, Jason; Davis-Stober, Clintin P.

2011-01-01

Transitivity of preferences is a fundamental principle shared by most major contemporary rational, prescriptive, and descriptive models of decision making. To have transitive preferences, a person, group, or society that prefers choice option "x" to "y" and "y" to "z" must prefer "x" to…

Previous motor activity affects the transition from uncertainty to decision making in snails.

PubMed

Korshunova, Tatiana A; Vorontsov, Dmitry D; Dyakonova, Varvara E

2016-11-15

One of the most widely accepted benefits of enhanced physical activity is an improvement in the symptoms of depression, including the facilitation of decision making. Up until now, these effects have been shown in rodents and humans only. Little is known about their evolutionary origin or biological basis, and the underlying cellular mechanisms also remain relatively elusive. Here, we demonstrate for the first time that preceding motor activity accelerates decision making in an invertebrate, the pond snail Lymnaea stagnalis To investigate decision making in a novel environment, snails, which normally live in water, were placed on a flat dry surface to simulate the potentially threatening consequence of being in an arid environment. This stimulus initiated two distinct phases in snail behaviour: slow circular movements, followed by intense locomotion in a chosen direction. The first phase was prolonged when the test arena was symmetrically lit, compared with one with an apparent gradient of light. However, forced muscular locomotion for 2 h prior to the test promoted the transition from random circular motions to a directional crawl, accompanied by an increase in crawling speed but with no effect on the choice of direction. Intense locomotion for 2 h also produced a strong excitatory effect on the activity of serotonergic neurons in L. stagnalis Our results suggest that the beneficial effects of physical exercise on cognitive performance in mammals might have deep roots in evolution, granting the opportunity to unravel the origins of such effects at the single-neuron and network levels. © 2016. Published by The Company of Biologists Ltd.

Multi objective decision making in hybrid energy system design

NASA Astrophysics Data System (ADS)

Merino, Gabriel Guillermo

The design of grid-connected photovoltaic wind generator system supplying a farmstead in Nebraska has been undertaken in this dissertation. The design process took into account competing criteria that motivate the use of different sources of energy for electric generation. The criteria considered were 'Financial', 'Environmental', and 'User/System compatibility'. A distance based multi-objective decision making methodology was developed to rank design alternatives. The method is based upon a precedence order imposed upon the design objectives and a distance metric describing the performance of each alternative. This methodology advances previous work by combining ambiguous information about the alternatives with a decision-maker imposed precedence order in the objectives. Design alternatives, defined by the photovoltaic array and wind generator installed capacities, were analyzed using the multi-objective decision making approach. The performance of the design alternatives was determined by simulating the system using hourly data for an electric load for a farmstead and hourly averages of solar irradiation, temperature and wind speed from eight wind-solar energy monitoring sites in Nebraska. The spatial variability of the solar energy resource within the region was assessed by determining semivariogram models to krige hourly and daily solar radiation data. No significant difference was found in the predicted performance of the system when using kriged solar radiation data, with the models generated vs. using actual data. The spatial variability of the combined wind and solar energy resources was included in the design analysis by using fuzzy numbers and arithmetic. The best alternative was dependent upon the precedence order assumed for the main criteria. Alternatives with no PV array or wind generator dominated when the 'Financial' criteria preceded the others. In contrast, alternatives with a nil component of PV array but a high wind generator component

Dose Transition Pathways: The Missing Link Between Complex Dose-Finding Designs and Simple Decision-Making.

PubMed

Yap, Christina; Billingham, Lucinda J; Cheung, Ying Kuen; Craddock, Charlie; O'Quigley, John

2017-12-15

The ever-increasing pace of development of novel therapies mandates efficient methodologies for assessment of their tolerability and activity. Evidence increasingly support the merits of model-based dose-finding designs in identifying the recommended phase II dose compared with conventional rule-based designs such as the 3 + 3 but despite this, their use remains limited. Here, we propose a useful tool, dose transition pathways (DTP), which helps overcome several commonly faced practical and methodologic challenges in the implementation of model-based designs. DTP projects in advance the doses recommended by a model-based design for subsequent patients (stay, escalate, de-escalate, or stop early), using all the accumulated information. After specifying a model with favorable statistical properties, we utilize the DTP to fine-tune the model to tailor it to the trial's specific requirements that reflect important clinical judgments. In particular, it can help to determine how stringent the stopping rules should be if the investigated therapy is too toxic. Its use to design and implement a modified continual reassessment method is illustrated in an acute myeloid leukemia trial. DTP removes the fears of model-based designs as unknown, complex systems and can serve as a handbook, guiding decision-making for each dose update. In the illustrated trial, the seamless, clear transition for each dose recommendation aided the investigators' understanding of the design and facilitated decision-making to enable finer calibration of a tailored model. We advocate the use of the DTP as an integral procedure in the co-development and successful implementation of practical model-based designs by statisticians and investigators. Clin Cancer Res; 23(24); 7440-7. ©2017 AACR . ©2017 American Association for Cancer Research.

Level Energies, Oscillator Strengths and Lifetimes for Transitions in Pb IV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colon, C.; Alonso-Medina, A.; Zanon, A.

2008-10-22

Oscillator strengths for several lines of astrophysical interest arising from some configurations and some levels radiative lifetimes of Pb IV have been calculated. These values were obtained in intermediate coupling (IC) and using ab initio relativistic Hartree-Fock calculations. We use for the IC calculations the standard method of least square fitting of experimental energy levels by means of computer codes from Cowan. Transition Probabilities and oscillator strengths obtained, although in general agreement with the rare experimental data, do present some noticeable discrepancies that are studied in the text.

Clean energy storage technology in the making: An innovation systems perspective on flywheel energy storage.

PubMed

Wicki, Samuel; Hansen, Erik G

2017-09-20

The emergence and diffusion of green and sustainable technologies is full of obstacles and has therefore become an important area of research. We are interested in further understanding the dynamics between entrepreneurial experimentation, market formation, and institutional contexts, together playing a decisive role for successful diffusion of such technologies. Accordingly, we study these processes by adopting a technological innovation system perspective focusing on actors, networks, and institutions as well as the functions provided by them. Using a qualitative case study research design, we focus on the high-speed flywheel energy storage technology. As flywheels are based on a rotating mass allowing short-term storage of energy in kinetic form, they represent an environmentally-friendly alternative to electrochemical batteries and therefore can play an important role in sustainable energy transitions. Our contribution is threefold: First , regarding the flywheel energy storage technology, our findings reveal two subsystems and related markets in which development took different courses. In the automotive sector, flywheels are developing well as a braking energy recovery technology under the influence of two motors of innovation. In the electricity sector, they are stagnating at the stage of demonstration projects because of two important system weaknesses that counteract demand for storage. Second , we contribute to the theory of technological innovation systems by better understanding the internal dynamics between different functions of an innovation system as well as between the innovation system and its (external) contextual structures. Our third contribution is methodological. According to our best knowledge, we are the first to use system dynamics to (qualitatively) analyze and visualize dynamics between the diverse functions of innovation systems with the aim of enabling a better understanding of complex and iterative system processes. The paper also

Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

PubMed

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-06-28

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

Effects of the Menopausal Transition on Factors Related to Energy Balance. A MONET group Study

PubMed Central

Karine, Duval; Denis, Prud’homme; Rémi, Rabasa-Lhoret; Irene, Strychar; Martin, Brochu; Jean-Marc, Lavoie; Éric, Doucet

2016-01-01

Objectives Factors that influence weight gain during the menopausal transition are not fully understood. The purpose of this study was to investigate changes in energy expenditure (EE) across the menopausal transition. Methods One hundred and two premenopausal women (age: 49.9 ± 1.9 yrs; BMI: 23.3 ± 2.2 kg/m2) were followed for 5 years. Body composition (DXA), physical activity EE (accelerometer), resting EE and thermic effect of food (indirect calorimetry) were measured annually. Results Total EE decreased significantly over time in postmenopausal women (P < 0.05), which was mostly due to a decrease in physical activity EE (P < 0.05). Although average resting EE remained stable over time in postmenopausal women, a significant increase, over the 5-year period, was noted in women who were in the menopausal transition by year 5 (P < 0.05). Finally, the time spent in moderate physical activity decreased and the time spent in sedentary physical activity increased during the menopausal transition (P < 0.05). Conclusion These results suggest that menopausal transition is accompanied with a decline in EE mainly characterized by a decrease in physical activity EE and a shift to a more sedentary lifestyle. PMID:23422924

Que faire? A Bioeconomy and Solar Energy Institute at Italy's Research Council in the Context of the Global Transition to the Solar Economy.

PubMed

Pagliaro, Mario; Meneguzzo, Francesco

2017-11-02

Driven by insight for which new research and education requires new institutional organisation, and drawing on two decades of research and educational efforts, we devise the profile and activities of a new bioeconomy and solar energy institute at Italy's Research Council. We further articulate the institute's activities suggesting avenues on how to deploy sound and giving more useful research, education and policy advice in these crucial fields for making tomorrow's common development sustainable. The outcomes of the study are of general interest, because the transition to a solar economy is of intrinsic global nature and the challenges involved are similar in many countries. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

An evaluation of energy conservation measures utilized by public transit systems : a case study in Texas

DOT National Transportation Integrated Search

1995-07-01

The primary focus of this study was to emphasize transit system energy characteristics by examining the vehicle characteristics, right-of-way charactertistics and the operational aspects of the services. The objectives : of this study were to become ...

Roadmaps to Transition Countries to 100% Clean, Renewable Energy for All Purposes to Curtail Global Warming, Air Pollution, and Energy Risk

NASA Astrophysics Data System (ADS)

Jacobson, Mark Z.

2017-10-01

Solving the problems of global warming, air pollution, and energy security requires a massive effort by individuals, communities, businesses, nonprofits, and policy makers around the world. The first step in that process is to have a plan. To that end, roadmaps to transition 139 countries of the world to 100% clean, renewable wind, water, and solar power for all energy purposes (electricity, transportation, heating, cooling, industry, agriculture, forestry, and fishing) by 2050, with 80% by 2030, have been developed. The evolution, characteristics, and impacts to date of these plans are briefly described.

IBS and Potential Luminosity Improvement for RHIC Operation Below Transition Energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedotov,A.

There is a strong interest in low-energy RHIC operations in the single-beam total energy range of 2.5-25 GeV/nucleon [1-3]. Collisions in this energy range, much of which is below nominal RHIC injection energy, will help to answer one of the key questions in the field of QeD about the existence and location of a critical point on the QCD phase diagram [4]. There have been several short test runs during 2006-2008 RHIC operations to evaluate RHIC operational challenges at these low energies [5]. Beam lifetimes observed during the test runs were limited by machine nonlinearities. This performance limit can bemore » improved with sufficient machine tuning. The next luminosity limitation comes from transverse and longitudinal Intra-beam Scattering (IBS), and ultimately from the space-charge limit. Detailed discussion of limiting beam dynamics effects and possible luminosity improvement with electron cooling can be found in Refs. [6-8]. For low-energy RHIC operation, particle losses from the RF bucket are of particular concern since the longitudinal beam size is comparable to the existing RF bucket at low energies. However, operation below transition energy allows us to exploit an Intra-beam Scattering (IBS) feature that drives the transverse and longitudinal beam temperatures towards equilibrium by minimizing the longitudinal diffusion rate using a high RF voltage. Simulation studies were performed with the goal to understand whether one can use this feature of IBS to improve luminosity of RHIC collider at low-energies. This Note presents results of simulations which show that additional luminosity improvement for low-energy RHIC project may be possible with high RF voltage from a 56 MHz superconducting RF cavity that is presently under development for RHIC.« less

Transitions: A Personal Perspective.

ERIC Educational Resources Information Center

Wood, Ann Stace

1995-01-01

Distinguishes between unchosen transitions (children maturing and leaving, parents aging, companies downsizing) and chosen ones (moving, divorce, marriage, career changes). Describes the steps one goes through: uneasiness, renewed energy, complaining, exploration, partial transition, and the completed transition. (JOW)

Energy Transitions | Integrated Energy Solutions | NREL

Science.gov Websites

clean energy access to remote populations across West Africa. NREL Supports Effort to Take Distributed develops and implements pilot projects to accelerate the development of distributed photovoltaics Renewable Energy into India's Electric Grid Volume 1 Volume 2 Designing Distributed Generation in Mexico

Unruly energies: Provocations of renewable energy development in a northern German village

NASA Astrophysics Data System (ADS)

Carlson, Jennifer D.

toward environmental policy. These affective modes of attention, investment and participation were vital aspects of public life that shaped the transition's unfolding. They exceeded liberal models of renewable energy citizenship, which presume that socioeconomic interest and environmental commitment are universal among citizens. In this way, unruly energies compel more nuanced attention to the multiple, contingent, site-specific ways in which citizenship takes form in the making of eco-capitalist energy infrastructure.

Electron transfer by excited benzoquinone anions: slow rates for two-electron transitions.

PubMed

Zamadar, Matibur; Cook, Andrew R; Lewandowska-Andralojc, Anna; Holroyd, Richard; Jiang, Yan; Bikalis, Jin; Miller, John R

2013-09-05

Electron transfer (ET) rate constants from the lowest excited state of the radical anion of benzoquinone, BQ(-•)*, were measured in THF solution. Rate constants for bimolecular electron transfer reactions typically reach the diffusion-controlled limit when the free-energy change, ΔG°, reaches -0.3 eV. The rate constants for ET from BQ(-•)* are one-to-two decades smaller at this energy and do not reach the diffusion-controlled limit until -ΔG° is 1.5-2.0 eV. The rates are so slow probably because a second electron must also undergo a transition to make use of the energy of the excited state. Similarly, ET, from solvated electrons to neutral BQ to form the lowest excited state, is slow, while fast ET is observed at a higher excited state, which can be populated in a transition involving only one electron. A simple picture based on perturbation theory can roughly account for the control of electron transfer by the need for transition of a second electron. The picture also explains how extra driving force (-ΔG°) can restore fast rates of electron transfer.

Making the Transition from Classical to Quantum Physics

ERIC Educational Resources Information Center

Dutt, Amit

2011-01-01

This paper reports on the nature of the conceptual understandings developed by Year 12 Victorian Certificate of Education (VCE) physics students as they made the transition from the essentially deterministic notions of classical physics, to interpretations characteristic of quantum theory. The research findings revealed the fact that the…

Webinar: Making the Connection: Linking IAQ, Energy Efficiency and Preventive Maintenance Together for Healthy Schools

EPA Pesticide Factsheets

A page to register to view the February 22, 2018, Energy Savings Plus Health for Schools Webinar Series Webinar: Making the Connection: Linking IAQ, Energy Efficiency and Preventive Maintenance Together for Healthy Schools

Using High Energy Precipitation for Magnetic Mapping in the Nightside Transition Region During Dynamic Events

NASA Astrophysics Data System (ADS)

Spanswick, E.

2017-12-01

Identifying the magnetic footprint of a satellite can be done using the in situ observations together with some ionospheric or low-altitude satellite observation to argue that the two measurements were made on the same field line. Nishimura et al. [2011], e.g., correlated a time series of chorus wave power near the magnetic equator with the time series of intensities of every pixel of a is roughly magnetically conjugate ASI. Often, the pattern of correlation shows a well-defined peak at the location of the satellite's magnetic footprint. Their results cannot be replicated during dynamic events (e.g., substorms), because the required auroral forms do not occur at such times. It would be important if we could make mappings with such confidence during active times. The Transition Region Explorer (TREx), which is presently being implemented, is a new ground-based facility that will remote sense electron precipitation across 3 hours of MLT and 12 degrees of magnetic latitude spanning the auroral zone in western Canada. TREx includes the world's first imaging riometers array with a contiguous field of view large enough to seamlessly track the spatio-temporal evolution of high energy electron precipitation at mesoscales. Two studies motivated the TREx riometers array. First, Baker et al. [1981] demonstrated riometer absorption is an excellent proxy for the electron energy flux integrated from 30 keV to 200keV keV at the magnetic equator on the flux tube corresponding to the location of that riometers. Second, Spanswick et al. [2007] showed the correlation between the riometers absorption and the integrated electron energy flux near the magnetic equator peaked when the satellite was nearest to conjugate to the riometers. Here we present observations using CANOPUS single beam riometers and CRRES MEB to illustrate how the relative closeness of the footpoint of an equatorial spacecraft can be assessed using high energy precipitation. As well, we present the capabilities of

Energy exchange between a laser beam and charged particles using inverse transition radiation and method for its use

DOEpatents

Kimura, Wayne D.; Romea, Richard D.; Steinhauer, Loren C.

1998-01-01

A method and apparatus for exchanging energy between relativistic charged particles and laser radiation using inverse diffraction radiation or inverse transition radiation. The beam of laser light is directed onto a particle beam by means of two optical elements which have apertures or foils through which the particle beam passes. The two apertures or foils are spaced by a predetermined distance of separation and the angle of interaction between the laser beam and the particle beam is set at a specific angle. The separation and angle are a function of the wavelength of the laser light and the relativistic energy of the particle beam. In a diffraction embodiment, the interaction between the laser and particle beams is determined by the diffraction effect due to the apertures in the optical elements. In a transition embodiment, the interaction between the laser and particle beams is determined by the transition effect due to pieces of foil placed in the particle beam path.

Household Energy Consumption: Community Context and the Fuelwood Transition*

PubMed Central

Link, Cynthia F.; Axinn, William G.; Ghimire, Dirgha J.

2012-01-01

We examine the influence of community context on change over time in households’ use of non-wood fuels. Our theoretical framework builds on sociological concepts in order to study energy consumption at the micro-level. The framework emphasizes the importance of nonfamily organizations and services in the local community as determinants of the transition from use of fuelwood to use of alternative fuels. We use multilevel longitudinal data on household fuel choice and community context from rural Nepal to provide empirical tests of our theoretical model. Results reveal that increased exposure to nonfamily organizations in the local community increases the use of alternative fuels. The findings illustrate key features of human impacts on the local environment and motivate greater incorporation of social organization into research on environmental change. PMID:23017795

Power-to-Syngas: An Enabling Technology for the Transition of the Energy System?

PubMed

Foit, Severin R; Vinke, Izaak C; de Haart, Lambertus G J; Eichel, Rüdiger-A

2017-05-08

Power-to-X concepts promise a reduction of greenhouse gas emissions simultaneously guaranteeing a safe energy supply even at high share of renewable power generation, thus becoming a cornerstone of a sustainable energy system. Power-to-syngas, that is, the electrochemical conversion of steam and carbon dioxide with the use of renewably generated electricity to syngas for the production of synfuels and high-value chemicals, offers an efficient technology to couple different energy-intense sectors, such as "traffic and transportation" and "chemical industry". Syngas produced by co-electrolysis can thus be regarded as a key-enabling step for a transition of the energy system, which offers additionally features of CO 2 -valorization and closed carbon cycles. Here, we discuss advantages and current limitations of low- and high-temperature co-electrolysis. Advances in both fundamental understanding of the basic reaction schemes and stable high-performance materials are essential to further promote co-electrolysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cavitation transition in the energy landscape: Distinct tensile yielding behavior in strongly and weakly attractive systems.

PubMed

Altabet, Y Elia; Fenley, Andreia L; Stillinger, Frank H; Debenedetti, Pablo G

2018-03-21

Particles with cohesive interactions display a tensile instability in the energy landscape at the Sastry density ρ S . The signature of this tensile limit is a minimum in the landscape equation of state, the pressure-density relationship of inherent structures sampled along a liquid isotherm. Our previous work [Y. E. Altabet, F. H. Stillinger, and P. G. Debenedetti, J. Chem. Phys. 145, 211905 (2016)] revisited the phenomenology of Sastry behavior and found that the evolution of the landscape equation of state with system size for particles with interactions typical of molecular liquids indicates the presence of an athermal first-order phase transition between homogeneous and fractured inherent structures, the latter containing several large voids. Here, we study how this tensile limit manifests itself for different interparticle cohesive strengths and identify two distinct regimes. Particles with sufficiently strong cohesion display an athermal first-order phase transition, consistent with our prior characterization. Weak cohesion also displays a tensile instability. However, the landscape equation of state for this regime is independent of system size, suggesting the absence of a first-order phase transition. An analysis of the voids suggests that yielding in the energy landscape of weakly cohesive systems is associated with the emergence of a highly interconnected network of small voids. While strongly cohesive systems transition from exclusively homogeneous to exclusively fractured configurations at ρ S in the thermodynamic limit, this interconnected network develops gradually, starting at ρ S , even at infinite system size.

Cavitation transition in the energy landscape: Distinct tensile yielding behavior in strongly and weakly attractive systems

NASA Astrophysics Data System (ADS)

Altabet, Y. Elia; Fenley, Andreia L.; Stillinger, Frank H.; Debenedetti, Pablo G.

2018-03-01

Particles with cohesive interactions display a tensile instability in the energy landscape at the Sastry density ρS. The signature of this tensile limit is a minimum in the landscape equation of state, the pressure-density relationship of inherent structures sampled along a liquid isotherm. Our previous work [Y. E. Altabet, F. H. Stillinger, and P. G. Debenedetti, J. Chem. Phys. 145, 211905 (2016)] revisited the phenomenology of Sastry behavior and found that the evolution of the landscape equation of state with system size for particles with interactions typical of molecular liquids indicates the presence of an athermal first-order phase transition between homogeneous and fractured inherent structures, the latter containing several large voids. Here, we study how this tensile limit manifests itself for different interparticle cohesive strengths and identify two distinct regimes. Particles with sufficiently strong cohesion display an athermal first-order phase transition, consistent with our prior characterization. Weak cohesion also displays a tensile instability. However, the landscape equation of state for this regime is independent of system size, suggesting the absence of a first-order phase transition. An analysis of the voids suggests that yielding in the energy landscape of weakly cohesive systems is associated with the emergence of a highly interconnected network of small voids. While strongly cohesive systems transition from exclusively homogeneous to exclusively fractured configurations at ρS in the thermodynamic limit, this interconnected network develops gradually, starting at ρS, even at infinite system size.

Graphene and graphene-like layered transition metal dichalcogenides in energy conversion and storage.

PubMed

Wang, Hua; Feng, Hongbin; Li, Jinghong

2014-06-12

Being confronted with the energy crisis and environmental problems, the exploration of clean and renewable energy materials as well as their devices are urgently demanded. Two-dimensional (2D) atomically-thick materials, graphene and grpahene-like layered transition metal dichalcogenides (TMDs), have showed vast potential as novel energy materials due to their unique physicochemical properties. In this Review, we outline the typical application of graphene and grpahene-like TMDs in energy conversion and storage fields, and hope to promote the development of 2D TMDs in this field through the analysis and comparisons with the relatively natural graphene. First, a brief introduction of electronic structures and basic properties of graphene and TMDs are presented. Then, we summarize the exciting progress of these materials made in both energy conversion and storage field including solar cells, electrocatalysis, supercapacitors and lithium ions batteries. Finally, the prospects and further developments in these exciting fields of graphene and graphene-like TMDs materials are also suggested. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Current recommendations on the estimation of transition probabilities in Markov cohort models for use in health care decision-making: a targeted literature review.

PubMed

Olariu, Elena; Cadwell, Kevin K; Hancock, Elizabeth; Trueman, David; Chevrou-Severac, Helene

2017-01-01

Although Markov cohort models represent one of the most common forms of decision-analytic models used in health care decision-making, correct implementation of such models requires reliable estimation of transition probabilities. This study sought to identify consensus statements or guidelines that detail how such transition probability matrices should be estimated. A literature review was performed to identify relevant publications in the following databases: Medline, Embase, the Cochrane Library, and PubMed. Electronic searches were supplemented by manual-searches of health technology assessment (HTA) websites in Australia, Belgium, Canada, France, Germany, Ireland, Norway, Portugal, Sweden, and the UK. One reviewer assessed studies for eligibility. Of the 1,931 citations identified in the electronic searches, no studies met the inclusion criteria for full-text review, and no guidelines on transition probabilities in Markov models were identified. Manual-searching of the websites of HTA agencies identified ten guidelines on economic evaluations (Australia, Belgium, Canada, France, Germany, Ireland, Norway, Portugal, Sweden, and UK). All identified guidelines provided general guidance on how to develop economic models, but none provided guidance on the calculation of transition probabilities. One relevant publication was identified following review of the reference lists of HTA agency guidelines: the International Society for Pharmacoeconomics and Outcomes Research taskforce guidance. This provided limited guidance on the use of rates and probabilities. There is limited formal guidance available on the estimation of transition probabilities for use in decision-analytic models. Given the increasing importance of cost-effectiveness analysis in the decision-making processes of HTA bodies and other medical decision-makers, there is a need for additional guidance to inform a more consistent approach to decision-analytic modeling. Further research should be done to

Energy balance in the solar transition region. I - Hydrostatic thermal models with ambipolar diffusion

NASA Technical Reports Server (NTRS)

Fontenla, J. M.; Avrett, E. H.; Loeser, R.

1990-01-01

The energy balance in the lower transition region is analyzed by constructing theoretical models which satisfy the energy balance constraint. The energy balance is achieved by balancing the radiative losses and the energy flowing downward from the corona. This energy flow is mainly in two forms: conductive heat flow and hydrogen ionization energy flow due to ambipolar diffusion. Hydrostatic equilibrium is assumed, and, in a first calculation, local mechanical heating and Joule heating are ignored. In a second model, some mechanical heating compatible with chromospheric energy-balance calculations is introduced. The models are computed for a partial non-LTE approach in which radiation departs strongly from LTE but particles depart from Maxwellian distributions only to first order. The results, which apply to cases where the magnetic field is either absent, or uniform and vertical, are compared with the observed Lyman lines and continuum from the average quiet sun. The approximate agreement suggests that this type of model can roughly explain the observed intensities in a physically meaningful way, assuming only a few free parameters specified as chromospheric boundary conditions.

Local bias-induced phase transitions

DOE PAGES

Seal, Katyayani; Baddorf, Arthur P.; Jesse, Stephen; ...

2008-11-27

Electrical bias-induced phase transitions underpin a wide range of applications from data storage to energy generation and conversion. The mechanisms behind these transitions are often quite complex and in many cases are extremely sensitive to local defects that act as centers for local transformations or pinning. Furthermore, using ferroelectrics as an example, we review methods for probing bias-induced phase transitions and discuss the current limitations and challenges for extending the methods to field-induced phase transitions and electrochemical reactions in energy storage, biological and molecular systems.

A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method.

PubMed

Caricato, Marco

2013-07-28

The calculation of vertical electronic transition energies of molecular systems in solution with accurate quantum mechanical methods requires the use of approximate and yet reliable models to describe the effect of the solvent on the electronic structure of the solute. The polarizable continuum model (PCM) of solvation represents a computationally efficient way to describe this effect, especially when combined with coupled cluster (CC) methods. Two formalisms are available to compute transition energies within the PCM framework: State-Specific (SS) and Linear-Response (LR). The former provides a more complete account of the solute-solvent polarization in the excited states, while the latter is computationally very efficient (i.e., comparable to gas phase) and transition properties are well defined. In this work, I review the theory for the two formalisms within CC theory with a focus on their computational requirements, and present the first implementation of the LR-PCM formalism with the coupled cluster singles and doubles method (CCSD). Transition energies computed with LR- and SS-CCSD-PCM are presented, as well as a comparison between solvation models in the LR approach. The numerical results show that the two formalisms provide different absolute values of transition energy, but similar relative solvatochromic shifts (from nonpolar to polar solvents). The LR formalism may then be used to explore the solvent effect on multiple states and evaluate transition probabilities, while the SS formalism may be used to refine the description of specific states and for the exploration of excited state potential energy surfaces of solvated systems.

Evaluating DFT for Transition Metals and Binaries: Developing the V/DM-17 Test Set

NASA Astrophysics Data System (ADS)

Decolvenaere, Elizabeth; Mattsson, Ann

We have developed the V-DM/17 test set to evaluate the experimental accuracy of DFT calculations of transition metals. When simulation and experiment disagree, the disconnect in length-scales and temperatures makes determining ``who is right'' difficult. However, methods to evaluate the experimental accuracy of functionals in the context of solid-state materials science, especially for transition metals, is lacking. As DFT undergoes a shift from a descriptive to a predictive tool, these issues of verification are becoming increasingly important. With undertakings like the Materials Project leading the way in high-throughput predictions and discoveries, the development of a one-size-fits-most approach to verification is critical. Our test set evaluates 26 transition metal elements and 80 transition metal alloys across three physical observables: lattice constants, elastic coefficients, and formation energy of alloys. Whether or not the formation energy can be reproduced measures whether the relevant physics are captured in a calculation. This is especially important question in transition metals, where active d-electrons can thwart commonly used techniques. In testing the V/DM-17 test set, we offer new views into the performance of existing functionals. Sandia National Labs is a multi-mission laboratory managed and operated by Sandia Corp., a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Gamow-Teller transitions in the 64Ni(3He, t)64Cu reaction

NASA Astrophysics Data System (ADS)

Popescu, L.; Adachi, T.; Berg, G. P. A.; von Brentano, P.; De Frenne, D.; Fujita, K.; Fujita, Y.; Hatanaka, K.; Jacobs, E.; Negret, A.; Nakanishi, K.; Sakemi, Y.; Shimbara, Y.; Shimizu, Y.; Tameshige, Y.; Tamii, A.; Uchida, M.; Yosoi, M.

2005-10-01

In order to study the Gamow-Teller (GT) transitions in the fp-shell nucleus 64Cu, the 64Ni(3He, t)64Cu charge-exchange reaction was investigated at E3He= 140 MeV/nucleon [1]. The outgoing tritons were momentum analysed by the Grand Raiden spectrometer at 0°. The very high energy resolution of 35 keV (FWHM) allowed the separation of individual levels in the excitation energy region from 0 to 3.5 MeV. An angular distribution analysis was performed for the observed transitions to these states. In addition to the ground state (g.s.), known to be a Jπ = 1+ GT state, several excited states showed L = 0 nature, making them candidates of GT states. At higher excitation energies, the level density becomes very high and a bump-like structure, the so-called GT Giant Resonance, dominates the spectrum.

10 CFR 1042.230 - Transition plans.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Transition plans. 1042.230 Section 1042.230 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION ON THE BASIS OF SEX IN EDUCATION PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Coverage § 1042.230 Transition plans. (a) Submission of...

10 CFR 1042.230 - Transition plans.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Transition plans. 1042.230 Section 1042.230 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION ON THE BASIS OF SEX IN EDUCATION PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Coverage § 1042.230 Transition plans. (a) Submission of...

10 CFR 1042.230 - Transition plans.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 4 2013-01-01 2013-01-01 false Transition plans. 1042.230 Section 1042.230 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION ON THE BASIS OF SEX IN EDUCATION PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Coverage § 1042.230 Transition plans. (a) Submission of...

10 CFR 1042.230 - Transition plans.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Transition plans. 1042.230 Section 1042.230 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION ON THE BASIS OF SEX IN EDUCATION PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Coverage § 1042.230 Transition plans. (a) Submission of...

10 CFR 1042.230 - Transition plans.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Transition plans. 1042.230 Section 1042.230 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION ON THE BASIS OF SEX IN EDUCATION PROGRAMS OR ACTIVITIES RECEIVING FEDERAL FINANCIAL ASSISTANCE Coverage § 1042.230 Transition plans. (a) Submission of...

Energy boost in laser wakefield accelerators using sharp density transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Döpp, A.; Guillaume, E.; Thaury, C.

The energy gain in laser wakefield accelerators is limited by dephasing between the driving laser pulse and the highly relativistic electrons in its wake. Since this phase depends on both the driver and the cavity length, the effects of dephasing can be mitigated with appropriate tailoring of the plasma density along propagation. Preceding studies have discussed the prospects of continuous phase-locking in the linear wakefield regime. However, most experiments are performed in the highly non-linear regime and rely on self-guiding of the laser pulse. Due to the complexity of the driver evolution in this regime, it is much more difficultmore » to achieve phase locking. As an alternative, we study the scenario of rapid rephasing in sharp density transitions, as was recently demonstrated experimentally. Starting from a phenomenological model, we deduce expressions for the electron energy gain in such density profiles. The results are in accordance with particle-in-cell simulations, and we present gain estimations for single and multiple stages of rephasing.« less

Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation

NASA Astrophysics Data System (ADS)

Garrido Torres, José A.; Ramberger, Benjamin; Früchtl, Herbert A.; Schaub, Renald; Kresse, Georg

2017-11-01

The adsorption energy of benzene on various metal substrates is predicted using the random phase approximation (RPA) for the correlation energy. Agreement with available experimental data is systematically better than 10% for both coinage and reactive metals. The results are also compared with more approximate methods, including van der Waals density functional theory (DFT), as well as dispersion-corrected DFT functionals. Although dispersion-corrected DFT can yield accurate results, for instance, on coinage metals, the adsorption energies are clearly overestimated on more reactive transition metals. Furthermore, coverage dependent adsorption energies are well described by the RPA. This shows that for the description of aromatic molecules on metal surfaces further improvements in density functionals are necessary, or more involved many-body methods such as the RPA are required.

A cavitation transition in the energy landscape of simple cohesive liquids and glasses

NASA Astrophysics Data System (ADS)

Altabet, Y. Elia; Stillinger, Frank H.; Debenedetti, Pablo G.

2016-12-01

In particle systems with cohesive interactions, the pressure-density relationship of the mechanically stable inherent structures sampled along a liquid isotherm (i.e., the equation of state of an energy landscape) will display a minimum at the Sastry density ρS. The tensile limit at ρS is due to cavitation that occurs upon energy minimization, and previous characterizations of this behavior suggested that ρS is a spinodal-like limit that separates all homogeneous and fractured inherent structures. Here, we revisit the phenomenology of Sastry behavior and find that it is subject to considerable finite-size effects, and the development of the inherent structure equation of state with system size is consistent with the finite-size rounding of an athermal phase transition. What appears to be a continuous spinodal-like point at finite system sizes becomes discontinuous in the thermodynamic limit, indicating behavior akin to a phase transition. We also study cavitation in glassy packings subjected to athermal expansion. Many individual expansion trajectories averaged together produce a smooth equation of state, which we find also exhibits features of finite-size rounding, and the examples studied in this work give rise to a larger limiting tension than for the corresponding landscape equation of state.

Energy Spectrum for the System, of N Ising Spins with Identical, Spin-Spin Coupling K/N - Anatomy of Phase Transition

NASA Astrophysics Data System (ADS)

Czachor, A.

2008-04-01

For the Kittel-Shore-Kac interspin coupling K/N between N Ising spins the ferromagnetic phase transition in specific heat vs. T plot has appeared in literature as a purely mathematical phenomenon, via the exact calculation of the sum of states Z(T) and subsequent differentiations with respect to temperature T. Physical nature of the transition remains in such derivation invisible. As it is expected to be related to the interaction/temperature competition in populating energy levels of the system, in this paper we construct the density of energy states D(E) (or energy spectrum) of such systems, both for the ferromagnetic (K > 0) and antiferromagnetic (K < 0) coupling between spins. This allows one to see the essence of the difference between these systems as related to the discrete vs. quasi-continuous shape of the spectra at low energy states.

Relativistic many-body calculation of energies, multipole transition rates, and lifetimes in tungsten ions

NASA Astrophysics Data System (ADS)

Safronova, U. I.; Safronova, M. S.; Nakamura, N.

2017-04-01

Atomic properties of Cd-like W26 +, In-like W25 +, and Sn-like W24 + ions are evaluated by using a relativistic CI+all -order approach that combines configuration-interaction and the coupled-cluster methods. The energies, transition rates, and lifetimes of low-lying levels are calculated and compared with available theoretical and experimental values. The magnetic-dipole transition rates are calculated to determine the branching ratios and lifetimes for the 4 f3 states in W25 + and for the 4 f4 states in W24 + ions. Excellent agreement of the CI+all -order values provided a benchmark test of this method for the 4 fn configurations validating the recommended values of tungsten ion properties calculated in this work.

Characterization of structural response to hypersonic boundary-layer transition

DOE PAGES

Riley, Zachary B.; Deshmukh, Rohit; Miller, Brent A.; ...

2016-05-24

The inherent relationship between boundary-layer stability, aerodynamic heating, and surface conditions makes the potential for interaction between the structural response and boundary-layer transition an important and challenging area of study in high-speed flows. This paper phenomenologically explores this interaction using a fundamental two-dimensional aerothermoelastic model under the assumption of an aluminum panel with simple supports. Specifically, an existing model is extended to examine the impact of transition onset location, transition length, and transitional overshoot in heat flux and fluctuating pressure on the structural response of surface panels. Transitional flow conditions are found to yield significantly increased thermal gradients, and theymore » can result in higher maximum panel temperatures compared to turbulent flow. Results indicate that overshoot in heat flux and fluctuating pressure reduces the flutter onset time and increases the strain energy accumulated in the panel. Furthermore, overshoot occurring near the midchord can yield average temperatures and peak displacements exceeding those experienced by the panel subject to turbulent flow. Lastly, these results suggest that fully turbulent flow does not always conservatively predict the thermo-structural response of surface panels.« less

Energy Saving Performance Analysis of An Inverter-based Regenerative Power Re-utilization Device for Urban Rail Transit

NASA Astrophysics Data System (ADS)

Li, Jin; Qiu, Zhiling; Hu, Leilei

2018-04-01

The inverter-based regenerative braking power utilization devices can re-utilize the regenerative energy, thus reduce the energy consumption of urban rail transit. In this paper the power absorption principle of the inverter-based device is introduced, then the key influencing factors of energy saving performance are analyzed based on the absorption model. The field operation data verified that the control DC voltage plays an important role and lower control DC voltage yields more energy saving. Also, the one year energy saving performance data of an inverter-based re-utilization device located in NanJing S8 line is provided, and more than 1.2 million kWh energy is recovered in the one year operation.

Relevance of behavioral and social models to the study of consumer energy decision making and behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burns, B.A.

This report reviews social and behavioral science models and techniques for their possible use in understanding and predicting consumer energy decision making and behaviors. A number of models and techniques have been developed that address different aspects of the decision process, use different theoretical bases and approaches, and have been aimed at different audiences. Three major areas of discussion were selected: (1) models of adaptation to social change, (2) decision making and choice, and (3) diffusion of innovation. Within these three areas, the contributions of psychologists, sociologists, economists, marketing researchers, and others were reviewed. Five primary components of the modelsmore » were identified and compared. The components are: (1) situational characteristics, (2) product characteristics, (3) individual characteristics, (4) social influences, and (5) the interaction or decision rules. The explicit use of behavioral and social science models in energy decision-making and behavior studies has been limited. Examples are given of a small number of energy studies which applied and tested existing models in studying the adoption of energy conservation behaviors and technologies, and solar technology.« less

Differentiation between solid-ankle cushioned heel and energy storage and return prosthetic foot based on step-to-step transition cost.

PubMed

Wezenberg, Daphne; Cutti, Andrea G; Bruno, Antonino; Houdijk, Han

2014-01-01

Decreased push-off power by the prosthetic foot and inadequate roll-over shape of the foot have been shown to increase the energy dissipated during the step-to-step transition in human walking. The aim of this study was to determine whether energy storage and return (ESAR) feet are able to reduce the mechanical energy dissipated during the step-to-step transition. Fifteen males with a unilateral lower-limb amputation walked with their prescribed ESAR foot (Vari-Flex, Ossur; Reykjavik, Iceland) and with a solid-ankle cushioned heel foot (SACH) (1D10, Ottobock; Duderstadt, Germany), while ground reaction forces and kinematics were recorded. The positive mechanical work on the center of mass performed by the trailing prosthetic limb was larger (33%, p = 0.01) and the negative work performed by the leading intact limb was lower (13%, p = 0.04) when walking with the ESAR foot compared with the SACH foot. The reduced step-to-step transition cost coincided with a higher mechanical push-off power generated by the ESAR foot and an extended forward progression of the center of pressure under the prosthetic ESAR foot. Results can explain the proposed improvement in walking economy with this kind of energy storing and return prosthetic foot.

Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

Potential Energy Surface-Based Automatic Deduction of Conformational Transition Networks and Its Application on Quantum Mechanical Landscapes of d-Glucose Conformers.

PubMed

Satoh, Hiroko; Oda, Tomohiro; Nakakoji, Kumiyo; Uno, Takeaki; Tanaka, Hiroaki; Iwata, Satoru; Ohno, Koichi

2016-11-08

This paper describes our approach that is built upon the potential energy surface (PES)-based conformational analysis. This approach automatically deduces a conformational transition network, called a conformational reaction route map (r-map), by using the Scaled Hypersphere Search of the Anharmonic Downward Distortion Following method (SHS-ADDF). The PES-based conformational search has been achieved by using large ADDF, which makes it possible to trace only low transition state (TS) barriers while restraining bond lengths and structures with high free energy. It automatically performs sampling the minima and TS structures by simply taking into account the mathematical feature of PES without requiring any a priori specification of variable internal coordinates. An obtained r-map is composed of equilibrium (EQ) conformers connected by reaction routes via TS conformers, where all of the reaction routes are already confirmed during the process of the deduction using the intrinsic reaction coordinate (IRC) method. The postcalculation analysis of the deduced r-map is interactively carried out using the RMapViewer software we have developed. This paper presents computational details of the PES-based conformational analysis and its application to d-glucose. The calculations have been performed for an isolated glucose molecule in the gas phase at the RHF/6-31G level. The obtained conformational r-map for α-d-glucose is composed of 201 EQ and 435 TS conformers and that for β-d-glucose is composed of 202 EQ and 371 TS conformers. For the postcalculation analysis of the conformational r-maps by using the RMapViewer software program we have found multiple minimum energy paths (MEPs) between global minima of 1 C 4 and 4 C 1 chair conformations. The analysis using RMapViewer allows us to confirm the thermodynamic and kinetic predominance of 4 C 1 conformations; that is, the potential energy of the global minimum of 4 C 1 is lower than that of 1 C 4 (thermodynamic predominance

Dependence of transition width on current and critical current in transition-edge sensors

NASA Astrophysics Data System (ADS)

Morgan, K. M.; Pappas, C. G.; Bennett, D. A.; Gard, J. D.; Hays-Wehle, J. P.; Hilton, G. C.; Reintsema, C. D.; Schmidt, D. R.; Ullom, J. N.; Swetz, D. S.

2017-05-01

In superconducting transition-edge sensor X-ray detectors, we observe that as the thermal conductance (G) to the heat bath increases, the resistive transition broadens. Consequently, the sensitivity of films to deposited energy worsens. Using a two-fluid model for the superconducting-to-normal transition in a thin film, we show that this broadening can be attributed to the larger current (I0) necessary for biasing the film at a given point in the transition for higher-G devices, resulting in a higher Ic0/I0 ratio (Ic0 is the film's critical current at zero temperature). To recover a sharper transition, we fabricated rectangular films with varying numbers of internal normal-metal structures while keeping G constant, allowing the independent variation of both I0 and Ic0. We show that it is possible to manipulate the transition width and G independently, thus enabling fast thermal sensors with an excellent energy resolution.

Impact of dietary plane of energy during the dry period on lipoprotein parameters in the transition period in dairy cattle.

PubMed

Newman, A; Mann, S; Nydam, D V; Overton, T R; Behling-Kelly, E

2016-02-01

The high energy demands of dairy cows during the transition period from late gestation into early lactation can place them at an increased risk for the development of metabolic and infectious diseases. Modification of the dry period diet has been investigated as a preventive means to minimize the detrimental aspects of metabolic shifts during the transition period. Studies investigating the impact of dry period diet on lipid parameters during the transition period have largely focused on markers of lipolysis and ketogenesis. Total cholesterol declines during the periparturient period and increases in early lactation. The impact total energy in the dry period diet has on the ability of the cow to maintain total serum cholesterol, as well as its natural high-density lipoprotein-rich status, during this metabolically challenging window is not clear. The impact of lipoproteins on inflammation and immune function may have a clinical impact on the cow's ability to ward off production-related diseases. In this study, we hypothesized that the provision of adequate, but not excessive, total metabolizable energy, would better allow the cow to maintain total cholesterol and a higher relative proportion of HDL throughout the transition period. Cows were allocated to one of three dry period dietary treatment groups following a randomized block design. Total serum triglycerides, cholesterol and lipoprotein fractions were measured on a weekly basis from approximately 7 weeks pre-calving to 6 weeks post-calving. The cows on the high energy diet maintained total serum cholesterol as compared to the cows provided a lower energy diet, but there was no significant increase in the LDL fraction of lipoproteins between diet treatment groups. Journal of Animal Physiology and Animal Nutrition © 2015 Blackwell Verlag GmbH.

Measurement of the energy spectrum of underground muons at Gran Sasso with a transition radiation detector

NASA Astrophysics Data System (ADS)

MACRO Collaboration; Ambrosio, M.; Antolini, R.; Aramo, C.; Auriemma, G.; Baldini, A.; Barbarino, G. C.; Barish, B. C.; Battistoni, G.; Bellotti, R.; Bemporad, C.; Bernardini, P.; Bilokon, H.; Bisi, V.; Bloise, C.; Bower, C.; Bussino, S.; Cafagna, F.; Calicchio, M.; Campana, D.; Carboni, M.; Castellano, M.; Cecchini, S.; Cei, F.; Chiarella, V.; Choudhary, B. C.; Coutu, S.; de Benedictis, L.; de Cataldo, G.; Dekhissi, H.; de Marzo, C.; de Mitri, I.; Derkaoui, J.; de Vincenzi, M.; di Credico, A.; Erriquez, O.; Favuzzi, C.; Forti, C.; Fusco, P.; Giacomelli, G.; Giannini, G.; Giglietto, N.; Giorgini, M.; Grassi, M.; Gray, L.; Grillo, A.; Guarino, F.; Guarnaccia, P.; Gustavino, C.; Habig, A.; Hanson, K.; Heinz, R.; Huang, Y.; Iarocci, E.; Katsavounidis, E.; Kearns, E.; Kim, H.; Kyriazopoulou, S.; Lamanna, E.; Lane, C.; Levin, D. S.; Lipari, P.; Longley, N. P.; Longo, M. J.; Maaroufi, F.; Mancarella, G.; Mandrioli, G.; Manzoor, S.; Margiotta Neri, A.; Marini, A.; Martello, D.; Marzari-Chiesa, A.; Mazziotta, M. N.; Mazzotta, C.; Michael, D. G.; Mikheyev, S.; Miller, L.; Monacelli, P.; Montaruli, T.; Monteno, M.; Mufson, S.; Musser, J.; Nicoló, D.; Orth, C.; Osteria, G.; Ouchrif, M.; Palamara, O.; Patera, V.; Patrizii, L.; Pazzi, R.; Peck, C. W.; Petrera, S.; Pistilli, P.; Popa, V.; Pugliese, V.; Rainò, A.; Reynoldson, J.; Ronga, F.; Rubizzo, U.; Satriano, C.; Satta, L.; Scapparone, E.; Scholberg, K.; Sciubba, A.; Serra-Lugaresi, P.; Severi, M.; Sioli, M.; Sitta, M.; Spinelli, P.; Spinetti, M.; Spurio, M.; Steinberg, R.; Stone, J. L.; Sulak, L. R.; Surdo, A.; Tarlè, G.; Togo, V.; Ugolotti, D.; Vakili, M.; Walter, C. W.; Webb, R.

1999-01-01

We have measured directly the residual energy of cosmic ray muons crossing the MACRO detector at the Gran Sasso Laboratory. For this measurement we have used a transition radiation detector consisting of three identical modules, each of about 12 m^2 area, operating in the energy region from 100 GeV to 1 TeV. The results presented here were obtained with the first module collecting data for more than two years. The average single muon energy is found to be 320 +/- 4 (stat.) +/- 11 (syst.) GeV in the rock depth range 3000-6500 hg/cm^2. The results are in agreement with calculations of the energy loss of muons in the rock above the detector.

Locally Appropriate Energy Strategies for the Developing World: A focus on Clean Energy Opportunities in Borneo

NASA Astrophysics Data System (ADS)

Shirley, Rebekah Grace

This dissertation focuses on an integration of energy modeling tools to explore energy transition pathways for emerging economies. The spate of growth in the global South has led to a global energy transition, evidenced in part by a surge in the development of large scale energy infrastructure projects for the provision of reliable electricity service. The rational of energy security and exigency often usher these large scale projects through to implementation with minimal analysis of costs: social and environmental impact, ecological risk, or opportunity costs of alternative energy transition pathways foregone. Furthermore, development of energy infrastructure is inherently characterized by the involvement of a number of state and non-state actors, with varying interests, objectives and access to authority. Being woven through and into social institutions necessarily impacts the design, control and functionality of infrastructure. In this dissertation I therefore conceptualize energy infrastructure as lying at the intersection, or nexus, of people, the environment and energy security. I argue that energy infrastructure plans and policy should, and can, be informed by each of these fields of influence in order to appropriately satisfy local development needs. This case study explores the socio-techno-environmental context of contemporary mega-dam development in northern Borneo. I describe the key actors of an ongoing mega-dam debate and the constellation of their interaction. This highlights the role that information may play in public discourse and lends insight into how inertia in the established system may stymie technological evolution. I then use a combination of power system simulation, ecological modeling and spatial analysis to analyze the potential for, and costs and tradeoffs of, future energy scenarios. In this way I demonstrate reproducible methods that can support energy infrastructure decision making by directly addressing data limitation barriers. I

Students' Socioscientific Reasoning and Decision-making on Energy-related Issues—Development of a measurement instrument

NASA Astrophysics Data System (ADS)

Sakschewski, Mark; Eggert, Sabina; Schneider, Susanne; Bögeholz, Susanne

2014-09-01

The concept of energy is one key component of science education curricula worldwide. While it is still being taught in many science classrooms from a mainly conceptual knowledge perspective, the need to frame the concept of energy as a socioscientific issue and implement it in the context of citizenship education and education for sustainable development, is getting more and more explicit. As we will be faced with limited fossil fuels and the consequences of global climate change in the future, students have to be supported in becoming literate citizens who are able to reach informed energy-related decisions. In this article, we focus on students' reasoning and decision-making processes about socioscientific energy-related issues. In more detail, we developed a paper-and-pencil measurement instrument to assess secondary school students' competencies in this domain. The functioning of the measurement instrument was analysed with a sample of 850 students from grades 6, 8, 10 and 12 using item response theory. Findings show that the measurement instrument functions in terms of reliability and validity. Concerning student ability, elaborate reasoning and decision-making was characterised by the use of trade-offs and the ability to weigh arguments and to reflect on the structure of reasoning and decision-making processes. The developed measurement instrument provides a complement for existing test instruments on conceptual knowledge about the concept of energy. It aims to contribute to a change in teaching about energy, especially in physics education in the sense of education for sustainable development.

Laparoscopic nephroureterectomy: making management of upper-tract transitional-cell carcinoma entirely minimally invasive.

PubMed

Keeley, F X; Tolley, D A

1998-04-01

Endoscopic treatment of upper-tract transitional-cell carcinoma (TCC) is well established. Nevertheless, many patients still required major ablative surgery. We have applied our experience with laparoscopic nephrectomy to the performance of laparoscopic nephroureterectomy in order to make the management of upper-tract TCC entirely minimally invasive. Since 1993, we have performed 22 laparoscopic nephroureterectomies for upper-tract TCC. Initially, we excluded patients with tumors below the pelvic brim, but we now offer a trial of laparoscopy to all patients. We describe the evolution of our technique, which involves resecting the ureteral orifice prior to laparoscopic dissection of the kidney and ureter. We have had to convert three cases to open surgery, one each for bleeding, failure to progress, and unappreciated tumor extent. Operative times averaged 156 minutes, which compares well with contemporary times for open nephroureterectomy. Complication rates, transfusion requirements, and length of stay, although higher than those of laparoscopic nephrectomy, were all reduced in comparison with open nephroureterectomy.

Cyclotron transitions of bound ions

NASA Astrophysics Data System (ADS)

Bezchastnov, Victor G.; Pavlov, George G.

2017-06-01

A charged particle in a magnetic field possesses discrete energy levels associated with particle rotation around the field lines. The radiative transitions between these levels are the well-known cyclotron transitions. We show that a bound complex of particles with a nonzero net charge displays analogous transitions between the states of confined motion of the entire complex in the field. The latter bound-ion cyclotron transitions are affected by a coupling between the collective and internal motions of the complex and, as a result, differ from the transitions of a "reference" bare ion with the same mass and charge. We analyze the cyclotron transitions for complex ions by including the coupling within a rigorous quantum approach. Particular attention is paid to comparison of the transition energies and oscillator strengths to those of the bare ion. Selection rules based on integrals of collective motion are derived for the bound-ion cyclotron transitions analytically, and the perturbation and coupled-channel approaches are developed to study the transitions quantitatively. Representative examples are considered and discussed for positive and negative atomic and cluster ions.

Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier.

PubMed

Mökkönen, Harri; Ala-Nissila, Tapio; Jónsson, Hannes

2016-09-07

The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates is found. The use of a sequence of hyperplanes in the evaluation of the recrossing correction speeds up the calculation by an order of magnitude as compared with the traditional approach. As the temperature is lowered, the direct Langevin dynamics simulations as well as the forward flux simulations become computationally too demanding, while the harmonic transition state theory estimate corrected for recrossings can be calculated without significant increase in the computational effort.

Close-packed Arrays of Transition-edge X-ray Microcalorimeters with High Spectral Resolution at 5.9 keV

NASA Technical Reports Server (NTRS)

Iyomoto, N.; Bandler, S. R.; Brekosky, R. P.; Brown, A.-D.; Chervenak, J. A.; Finkbeiner, F. M.; Kelley, R. L.; Kilbourne, C. A.; Porter, F. S.; Sadleir, J. E.;

Strategic Transit Automation Research Plan

DOT National Transportation Integrated Search

2018-01-01

Transit bus automation could deliver many potential benefits, but transit agencies need additional research and policy guidance to make informed deployment decisions. Although funding and policy constraints may play a role, there is also a reasonable...

Three essays on decision-making in energy policy

NASA Astrophysics Data System (ADS)

Wendling, Zachary Ann

This dissertation examines three issues surrounding decision-making in energy policy. Over the past decade, technological advances in horizontal drilling and hydraulic fracturing have allowed the economical extraction of natural gas and petroleum from shale basins. Thus far, natural gas has been produced from shale at a commercial scale only in certain American States and Canadian Provinces, though potential shale plays exist elsewhere in North America and the world. Whether, how, and to what extent SGD diffuses to new shale basins and jurisdictions will depend on several questions about energy policy. The first chapter examines the potential for SGD in the European Union. Among EU institutions, the European Parliament has been the strongest proponent for regulation of SGD, preferring a balance between environmental protection and opportunities for economic development, energy security, and climate mitigation. Analysis of roll call voting on SGD in the Seventh European Parliament shows that ideological preferences are the primary explanation of voting behavior, followed by national interests in decarbonization. Prospects for further regulatory action are discussed. ? The second chapter takes a closer look at the potential of shale gas to facilitate decarbonization in the electricity sector. Proponents of SGD have claimed that high carbon fossil fuels can be immediately phased out and replaced in the short term by power plants that burn cheap, abundant natural gas, which emits half the greenhouse gasses over a well-to-wire life cycle. A value of information analysis examines the conditions under which this may be so and quantifies how valuable it would be to have perfect information about uncertain parameters in a cost function characterizing the global electricity sector. The third chapter is describes a new tool of policy analysis, the Indiana Scalable Energy-Economy Model (IN-SEEM). State and local governments have played an increasing role in energy and climate

Transitioning from AOP to IATA - Exploiting mechanistic ...

EPA Pesticide Factsheets

Slide presentation at satellite meeting of the QSAR2016 Meeting on How to Transition from AOP to IATA-Exploiting mechanistic insight for practical decision making. . Slide presentation at satellite meeting of the QSAR2016 Meeting on How to Transition from AOP to IATA-Exploiting mechanistic insight for practical decision making. .

[Youth in Transition Project.

ERIC Educational Resources Information Center

McManus, Marilyn C., Ed.

1987-01-01

This issue focuses on assisting adolescents with serious emotional handicaps to make transitions from youth serving systems into society. A framework for developing transition-oriented programs is prevented that incorporates into the specific service goals of the current environment the skills required to function in the projected environment.…

Energy exchange and transition to localization in the asymmetric Fermi-Pasta-Ulam oscillatory chain

NASA Astrophysics Data System (ADS)

Smirnov, Valeri V.; Shepelev, Denis S.; Manevitch, Leonid I.

2013-01-01

A finite (periodic) FPU chain is chosen as a convenient model for investigating the energy exchange phenomenon in nonlinear oscillatory systems. As we have recently shown, this phenomenon may occur as a consequence of the resonant interaction between high-frequency nonlinear normal modes. This interaction determines both the complete energy exchange between different parts of the chain and the transition to energy localization in an excited group of particles. In the paper, we demonstrate that this mechanism can exist in realistic (asymmetric) models of atomic or molecular oscillatory chains. Also, we study the resonant interaction of conjugated nonlinear normal modes and prove a possibility of linearization of the equations of motion. The theoretical constructions developed in this paper are based on the concepts of "effective particles" and Limiting Phase Trajectories. In particular, an analytical description of energy exchange between the "effective particles" in the terms of non-smooth functions is presented. The analytical results are confirmed with numerical simulations.

Hot carrier dynamics in plasmonic transition metal nitrides

NASA Astrophysics Data System (ADS)

Habib, Adela; Florio, Fred; Sundararaman, Ravishankar

2018-06-01

Extraction of non-equilibrium hot carriers generated by plasmon decay in metallic nano-structures is an increasingly exciting prospect for utilizing plasmonic losses, but the search for optimum plasmonic materials with long-lived carriers is ongoing. Transition metal nitrides are an exciting class of new plasmonic materials with superior thermal and mechanical properties compared to conventional noble metals, but their suitability for plasmonic hot carrier applications remains unknown. Here, we present fully first principles calculations of the plasmonic response, hot carrier generation and subsequent thermalization of all group IV, V and VI transition metal nitrides, fully accounting for direct and phonon-assisted transitions as well as electron–electron and electron–phonon scattering. We find the largest frequency ranges for plasmonic response in ZrN, HfN and WN, between those of gold and silver, while we predict strongest absorption in the visible spectrum for the VN, NbN and TaN. Hot carrier generation is dominated by direct transitions for most of the relevant energy range in all these nitrides, while phonon-assisted processes dominate only below 1 eV plasmon energies primarily for the group IV nitrides. Finally, we predict the maximum hot carrier lifetimes to be around 10 fs for group IV and VI nitrides, a factor of 3–4 smaller than noble metals, due to strong electron–phonon scattering. However, we find longer carrier lifetimes for group V nitrides, comparable to silver for NbN and TaN, while exceeding 100 fs (twice that of silver) for VN, making them promising candidates for efficient hot carrier extraction.

Methods for finding transition states on reduced potential energy surfaces

NASA Astrophysics Data System (ADS)

Burger, Steven K.; Ayers, Paul W.

2010-06-01

Three new algorithms are presented for determining transition state (TS) structures on the reduced potential energy surface, that is, for problems in which a few important degrees of freedom can be isolated. All three methods use constrained optimization to rapidly find the TS without an initial Hessian evaluation. The algorithms highlight how efficiently the TS can be located on a reduced surface, where the rest of the degrees of freedom are minimized. The first method uses a nonpositive definite quasi-Newton update for the reduced degrees of freedom. The second uses Shepard interpolation to fit the Hessian and starts from a set of points that bound the TS. The third directly uses a finite difference scheme to calculate the reduced degrees of freedom of the Hessian of the entire system, and searches for the TS on the full potential energy surface. All three methods are tested on an epoxide hydrolase cluster, and the ring formations of cyclohexane and cyclobutenone. The results indicate that all the methods are able to converge quite rapidly to the correct TS, but that the finite difference approach is the most efficient.

Methods for finding transition states on reduced potential energy surfaces.

PubMed

Burger, Steven K; Ayers, Paul W

2010-06-21

Three new algorithms are presented for determining transition state (TS) structures on the reduced potential energy surface, that is, for problems in which a few important degrees of freedom can be isolated. All three methods use constrained optimization to rapidly find the TS without an initial Hessian evaluation. The algorithms highlight how efficiently the TS can be located on a reduced surface, where the rest of the degrees of freedom are minimized. The first method uses a nonpositive definite quasi-Newton update for the reduced degrees of freedom. The second uses Shepard interpolation to fit the Hessian and starts from a set of points that bound the TS. The third directly uses a finite difference scheme to calculate the reduced degrees of freedom of the Hessian of the entire system, and searches for the TS on the full potential energy surface. All three methods are tested on an epoxide hydrolase cluster, and the ring formations of cyclohexane and cyclobutenone. The results indicate that all the methods are able to converge quite rapidly to the correct TS, but that the finite difference approach is the most efficient.

Method for making an aluminum or copper substrate panel for selective absorption of solar energy

NASA Technical Reports Server (NTRS)

Roberts, M. L.; Sharpe, M. H.; Krupnick, A. C. (Inventor)

1978-01-01

A panel is described for selectively absorbing solar energy comprising an aluminum substrate. A zinc layer was covered by a layer of nickel and an outer layer of solar energy absorbing nickel oxide or a copper substrate with a nickel layer. A layer of solar energy absorbing nickel oxide distal from the copper substrate was included. A method for making these panels is disclosed.

High current density ion beam obtained by a transition to a highly focused state in extremely low-energy region.

PubMed

Hirano, Y; Kiyama, S; Fujiwara, Y; Koguchi, H; Sakakita, H

2015-11-01

A high current density (≈3 mA/cm(2)) hydrogen ion beam source operating in an extremely low-energy region (E(ib) ≈ 150-200 eV) has been realized by using a transition to a highly focused state, where the beam is extracted from the ion source chamber through three concave electrodes with nominal focal lengths of ≈350 mm. The transition occurs when the beam energy exceeds a threshold value between 145 and 170 eV. Low-level hysteresis is observed in the transition when E(ib) is being reduced. The radial profiles of the ion beam current density and the low temperature ion current density can be obtained separately using a Faraday cup with a grid in front. The measured profiles confirm that more than a half of the extracted beam ions reaches the target plate with a good focusing profile with a full width at half maximum of ≈3 cm. Estimation of the particle balances in beam ions, the slow ions, and the electrons indicates the possibility that the secondary electron emission from the target plate and electron impact ionization of hydrogen may play roles as particle sources in this extremely low-energy beam after the compensation of beam ion space charge.

Electron emission from surfaces resulting from low energy positron bombardment

NASA Astrophysics Data System (ADS)

Mukherjee, Saurabh

Measurements of the secondary electron energy spectra resulting from very low energy positron bombardment of a polycrystalline Au and Cu (100) surfaces are presented that provide evidence for a single step transition from an unbound scattering state to an image potential bound state. The primary positron energy threshold for secondary electron emission and energy cutoff of the positron induced secondary electron energy peak are consistent with an Auger like process in which an incident positron make a transition from a scattering state to a surface-image potential bound while transferring all of the energy difference to an outgoing secondary electron. We term this process: the Auger mediated quantum sticking effect (AQSE). The intensities of the positron induced secondary electron peak are used to estimate the probability of this process as a function of incident positron energy. Positron annihilation induced Auger spectra (PAES) of Cu and Au are presented that are free of all primary beam induced secondary electron background. This background was eliminated by setting the positron beam energy below AQSE threshold. The background free PAES spectra obtained include the first measurements of the low energy tail of CVV Auger transitions all the way down to zero kinetic energy. The integrated intensity of this tail is several times larger than Auger peak itself which provides strong evidence for multi-electron Auger processes.

Parallel electron force balance and the L-H transition

DOE PAGES

Stoltzfus-Dueck, T.

2016-05-23

In one popular paradigm for the L-H transition, energy transfer to the mean flows directly depletes turbulence fluctuation energy, resulting in suppression of the turbulence and a corresponding transport bifurcation. To quantitatively evaluate this mechanism, one must remember that electron parallel force balance couples nonzonal velocity fluctuations with electron pressure fluctuations on rapid timescales, comparable with the electron transit time. For this reason, energy in the nonzonal velocity stays in a fairly fixed ratio to the free energy in electron density fluctuations, at least for frequency scales much slower than electron transit. Furthermore, in order for direct depletion of themore » energy in turbulent fluctuations to cause the L-H transition, energy transfer via Reynolds stress must therefore drain enough energy to significantly reduce the sum of the free energy in nonzonal velocities and electron pressure fluctuations. At low k⊥, the electron thermal free energy is much larger than the energy in nonzonal velocities, posing a stark challenge for this model of the L-H transition.« less

Data visualization as a tool for improved decision making within transit agencies

DOT National Transportation Integrated Search

2007-02-01

TriMet, the regional transit provider in the Portland, OR, area has been a leader in bus transit performance monitoring using data collected via automatic vehicle location and automatic passenger counter technologies. This information is collected an...

Evidence and future scenarios of a low-carbon energy transition in Central America: a case study in Nicaragua

NASA Astrophysics Data System (ADS)

Barido, Diego Ponce de Leon; Johnston, Josiah; Moncada, Maria V.; Callaway, Duncan; Kammen, Daniel M.

2015-10-01

The global carbon emissions budget over the next decades depends critically on the choices made by fast-growing emerging economies. Few studies exist, however, that develop country-specific energy system integration insights that can inform emerging economies in this decision-making process. High spatial- and temporal-resolution power system planning is central to evaluating decarbonization scenarios, but obtaining the required data and models can be cost prohibitive, especially for researchers in low, lower-middle income economies. Here, we use Nicaragua as a case study to highlight the importance of high-resolution open access data and modeling platforms to evaluate fuel-switching strategies and their resulting cost of power under realistic technology, policy, and cost scenarios (2014-2030). Our results suggest that Nicaragua could cost-effectively achieve a low-carbon grid (≥80%, based on non-large hydro renewable energy generation) by 2030 while also pursuing multiple development objectives. Regional cooperation (balancing) enables the highest wind and solar generation (18% and 3% by 2030, respectively), at the least cost (US127 MWh-1). Potentially risky resources (geothermal and hydropower) raise system costs but do not significantly hinder decarbonization. Oil price sensitivity scenarios suggest renewable energy to be a more cost-effective long-term investment than fuel oil, even under the assumption of prevailing cheap oil prices. Nicaragua’s options illustrate the opportunities and challenges of power system decarbonization for emerging economies, and the key role that open access data and modeling platforms can play in helping develop low-carbon transition pathways.

Long-term trends and a sustainability transition

PubMed Central

Kates, Robert W.; Parris, Thomas M.

2003-01-01

How do long-term global trends affect a transition to sustainability? We emphasize the “multitrend” nature of 10 classes of trends, which makes them complex, contradictory, and often poorly understood. Each class includes trends that make a sustainability transition more feasible as well as trends that make it more difficult. Taken in their entirety, they serve as a checklist for the consideration of global trends that impact place-based sustainability studies. PMID:12829798

Femtoscopy as a tool for studying phase transition phenomena at STAR/BES energies in context of femtoscopic analysis at NICA

NASA Astrophysics Data System (ADS)

Wielanek, D.

2017-08-01

Femtoscopy is a tool to study the space-time evolution of hot and dense matter during high energy collision by using two-particle correlations. The femtoscopic and flow measurements at RHIC and LHC energies are well reproduced by the hydrodynamics models that contains equation of state (EoS) with crossover type transition from Quark-Gluon Plasma to hadron gas phase. Similar studies where performed at AGS and SPS accelerators and was performed in Beam Energy Scan (BES) program at Relativistic Heavy Ion Collider for exploring phase diagram of QCD matter. I present the femtoscopic observables calculated for Au-Au collisions at √sNN = 7:7 - 62:4 GeV calculated from viscous hydro + cascade model vHLLE+UrQMD with two types of EoSs - one that correspond to 1st order phase transition (PT) and second that correspond to crossover PT. I also discuss perspectives of femtoscopic measurements at NICA energy scale √sNN = 4 - 11 GeV.1

Reliable routing in transit networks.

DOT National Transportation Integrated Search

2013-07-02

The objectives of this project are (1) to make use of the newly emerging transit data sources : for evaluating the variations in transit services (especially headway), and (2) to help passengers : find optimal routing strategies to hedge against thes...

Mercury Transit Across the Sun

NASA Image and Video Library

2016-05-09

On May 9, 2016, Mercury passed directly between the Sun and Earth, making a transit of the Sun. Mercury transits happen about 13 times each century. NASA SDO studies the Sun 24/7 and captured the eight-hour event.

Activation Energy of the Low-pH-Induced Lamellar to Bicontinuous Cubic Phase Transition in Dioleoylphosphatidylserine/Monoolein.

PubMed

Oka, Toshihiko; Saiki, Takahiro; Alam, Jahangir Md; Yamazaki, Masahito

2016-02-09

Electrostatic interaction is an important factor for phase transitions between lamellar liquid-crystalline (Lα) and inverse bicontinuous cubic (QII) phases. We investigated the effect of temperature on the low-pH-induced Lα to double-diamond cubic (QII(D)) phase transition in dioleoylphosphatidylserine (DOPS)/monoolein (MO) using time-resolved small-angle X-ray scattering with a stopped-flow apparatus. Under all conditions of temperature and pH, the Lα phase was directly transformed into an intermediate inverse hexagonal (HII) phase, and subsequently the HII phase slowly converted to the QII(D) phase. We obtained the rate constants of the initial step (i.e., the Lα to HII phase transition) and of the second step (i.e., the HII to QII(D) phase transition) using the non-negative matrix factorization method. The rate constant of the initial step increased with temperature. By analyzing this result, we obtained the values of its apparent activation energy, Ea (Lα → HII), which did not change with temperature but increased with an increase in pH. In contrast, the rate constant of the second step decreased with temperature at pH 2.6, although it increased with temperature at pH 2.7 and 2.8. These results indicate that the value of Ea (HII → QII(D)) at pH 2.6 increased with temperature, but the values of Ea (HII → QII(D)) at pH 2.7 and 2.8 were constant with temperature. The values of Ea (HII → QII(D)) were smaller than those of Ea (Lα → HII) at the same pH. We analyzed these results using a modified quantitative theory on the activation energy of phase transitions of lipid membranes proposed initially by Squires et al. (Squires, A. M.; Conn, C. E.; Seddon, J. M.; Templer, R. H. Soft Matter 2009, 5, 4773). On the basis of these results, we discuss the mechanism of this phase transition.

The influence of temperature induced phase transition on the energy storage density of anti-ferroelectric ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yi, Jinqiao; Zhang, Ling; Xie, Bing

2015-09-28

Anti-ferroelectric (AFE) composite ceramics of (Pb{sub 0.858}Ba{sub 0.1}La{sub 0.02}Y{sub 0.008})(Zr{sub 0.65}Sn{sub 0.3}Ti{sub 0.05})O{sub 3}-(Pb{sub 0.97}La{sub 0.02})(Zr{sub 0.9}Sn{sub 0.05} Ti{sub 0.05})O{sub 3} (PBLYZST-PLZST) were fabricated by the conventional solid-state sintering process (CS), the glass-aided sintering (GAS), and the spark plasma sintering (SPS), respectively. The influence of the temperature induced phase transition on the phase structure, hysteresis loops, and energy storage properties of the composite ceramics were investigated in detail. The measured results of X-ray diffraction demonstrate that the composite ceramics exhibit the perovskite phases and small amounts of non-functional pyrochlore phases. Compared with the CS process, the GAS and SPS processesmore » are proven more helpful to suppress the diffusion behaviors between the PBLYZST and PLZST phases according to the field emission scanning electron microscopy, thereby being able to improve the contribution of PBLYZST phase to the temperature stability of the orthogonal AFE phase. When the ambient temperature rises from 25 °C to 125 °C, CS and GAS samples have undergone a phase transition from orthorhombic AFE phase to tetragonal AFE phase, which results in a sharp decline in the energy storage density. However, the phase transition temperature of SPS samples is higher than 125 °C, and the energy storage density only slightly decreases due to the disorder of material microstructure caused by the high temperature. As a result, the SPS composite ceramics obtain a recoverable high energy storage density of 6.46 J/cm{sup 3} and the excellent temperature stability of the energy storage density of 1.16 × 10{sup −2} J/°C·cm{sup 3}, which is 1.29 × 10{sup −2} J/°C·cm{sup 3} lower than that of CS samples and about 0.43 times as that of GAS samples.« less

Solar transit stops on Central Avenue.

DOT National Transportation Integrated Search

2011-02-01

This initiative sought to demonstrate existing commercially available transportation technologies for transit customer amenities that could significantly enhance transit experience and attract more riders therefore making the Capital District Tra...

Solar transit stops on Central Avenue

DOT National Transportation Integrated Search

2011-02-01

This initiative sought to demonstrate existing commercially available transportation technologies for transit customer amenities that could significantly enhance transit experience and attract more riders therefore making the Capital District Tra...

The Differential Gibbs Free Energy of Activation and its Implications in the Transition-State of Enzymatic Reactions

NASA Astrophysics Data System (ADS)

Maggi, F.; Riley, W. J.

2016-12-01

We propose a mathematical framework to introduce the concept of differential free energy of activation in enzymatically catalyzed reactions, and apply it to N uptake by microalgae and bacteria. This framework extends the thermodynamic capabilities of the classical transition-state theory in and harmonizes the consolidated definitions of kinetic parameters with their thermodynamic and physical meaning. Here, the activation energy is assumed to be a necessary energetic level for equilibrium complexation between reactants and activated complex; however, an additional energy contribution is required for the equilibrium activated complex to release reaction products. We call this "differential free energy of activation"; it can be described by a Boltzmann distribution, and corresponds to a free energy level different from that of complexation. Whether this level is above or below the free energy of activation depends on the reaction, and defines energy domains that correspond to "superactivated", "activated", and "subactivated" complexes. The activated complex reaching one of those states will eventually release the products from an energy level different than that of activation. The concept of differential free energy of activation was tested on 57 independent experiments of NH­4+ and NO3- uptake by various microalgae and bacteria at temperatures ranging between 1 and 45oC. Results showed that the complexation equilibrium always favored the activated complex, but the differential energy of activation led to an apparent energy barrier consistent with observations. Temperature affected all energy levels within this framework but did not alter substantially these thermodynamic features. Overall the approach: (1) provides a thermodynamic and mathematical link between Michaelis-Menten and rate constants; (2) shows that both kinetic parameters can be described or approximated by Arrhenius' like equations; (3) describes the likelihood of formation of sub-, super-, and

Jahn-Teller effects in transition-metal compounds with small charge-transfer energy

NASA Astrophysics Data System (ADS)

Mizokawa, Takashi

2013-04-01

We have studied Jahn-Teller effects in Cs2Au2Br6, ACu3Co4O12(A=Ca or Y), and IrTe2 in which the ligand p-to-transition-metal d charge-transfer energy is small or negative. The Au+/Au3+ charge disproportionation of Cs2Au2Br6 manifests in Au 4f photoemission spectra. In Cs2Au2Br6 with negative Δ and intermediate U, the charge disproportionation can be described using effective d orbitals constructed from the Au 5d and Br 4p orbitals and is stabilized by the Jahn-Teller distortion of the Au3+ site with low-spin d8 configuration. In ACu3Co4O12, Δs for Cu3+ and Co4+ are negative and Us are very large. The Zhang-Rice picture is valid to describe the electronic state, and the valence change from Cu2+/Co4+ to Cu3+/Co3+ can be viewed as the O 2p hole transfer from Co to Cu or d9 + d6L → d9L + d6. In IrTe2, both Δ and U are small and the Ir 5d and Te 5p electrons are itinerant to form the multi-band Fermi surfaces. The ideas of band Jahn-Teller transition and Peierls transition are useful to describe the structural instabilities.

Making use of renewable energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnston, J.C.

1984-01-01

This book describes renewable energy projects proposed for the rural areas of developing countries. Topics considered include biogas generation in Zimbabwe, biogas technology for water pumping in Botswana, soil fertility and energy problems in rural development in the Zaire rain forest, international scientific collaboration on biogas technologies for rural development, alcohol from biomass, an ethanol project in Zimbabwe, biomass alcohol and the fuel-food issue, solar water heating in Zimbabwe, absorbent box solar cookers, solar crop drying in Zimbabwe, the use of passive solar energy in Botswana buildings, the potential of mini hydro systems, woodfuel as a potential renewable energy source,more » small-scale afforestation for domestic needs in the communal lands of Zimbabwe, muscle power, the use of human energy in construction, hand-operated water pumps, animal power for water pumping in Botswana, the production of charcoal in Zambia, improving the efficiency of a traditional charcoal-burning Burmese cooking stove, social impacts, non-engineering constraints affecting energy use in a rural area, women and energy, and non-technical factors influencing the establishment of fuels-from-crops industries in developing countries.« less

Responses of energy balance, physiology, and production for transition dairy cows fed with a low-energy prepartum diet during hot season.

PubMed

Su, Huawei; Wang, Yachun; Zhang, Qian; Wang, Fuwei; Cao, Zhijun; Rahman, Muhammad Aziz Ur; Cao, Binghai; Li, Shengli

2013-10-01

Twenty multiparous Chinese Holstein dairy cows calving in hot summer (S group), were compared with 20 similar control cows calving in cool autumn (C group). Diets were the same for both groups; prepartum diets had relatively low energy density. Average temperature-humidity index was 76.5 and 53.0 in summer and autumn, respectively. S group cows had significantly higher rectal temperatures (39.6 vs. 39.0 °C) and respiration rates (79.0 vs. 31.3 breaths/min) than C group, and consumed less feed (prepartum 8.0 vs. 12.3 kg/day, postpartum 16.3 vs. 21.2 kg/day). Calculated energy balance (EB) was -7.98 vs. -5.15 Mcal/day for S group prepartum and postpartum, respectively. In contrast, EB was 1.36 vs. -2.03 Mcal/day for C group prepartum and postpartum, respectively. S group produced significantly less milk than C group by 15.4 % (5.2 kg/day) and 26.8 % (10.2 kg/d) for milk yield and energy-corrected milk, respectively. Percentages of milk fat (3.28 vs. 4.29 %), protein (3.08 vs. 3.33 %), and solids-not-fat (8.46 vs. 8.78 %) were significantly lower for S group. Milk urea nitrogen (19.54 vs. 13.31 mg/dL) was significantly higher in S group. Significantly lower feed efficiency was observed in S group (1.56 vs. 1.66). During the entire transition period, S group had significantly lower circulating glucose levels. S group had significantly higher levels of nonesterified fatty acids (NEFA) prepartum, but after 14 days in milk, NEFA was significantly lower. We conclude that increasing dietary energy density during transition period (especially prepartum) is necessary to minimize adverse effects of hot season.

Temperature-Dependent Energy Gap Shift and Thermally Activated Transition in Multilayer CdTe/ZnTe Quantum Dots.

PubMed

Man, Minh Tan; Lee, Hong Seok

2015-10-01

We investigated the influence of growth conditions on carrier dynamics in multilayer CdTe/ZnTe quantum dots (QDs) by monitoring the temperature dependence of the photoluminescence emission energy. The results were analyzed using the empirical Varshni and O'Donnell relations for temperature variation of the energy gap shift. Best fit values showed that the thermally activated transition between two different states occurs due to band low-temperature quenching with values separated by 5.0-6.5 meV. The addition of stack periods in multilayer CdTe/ZnTe QDs plays an important role in the energy gap shift, where the exciton binding energy is enhanced, and, conversely, the exciton-phonon coupling strength is suppressed with an average energy of 19.3-19.8 meV.

Synthetic IRIS spectra of the solar transition region: Effect of high-energy tails

NASA Astrophysics Data System (ADS)

Dzifčáková, E.; Vocks, C.; Dudík, J.

2017-06-01

Aims: The solar transition region satisfies the conditions for presence of non-Maxwellian electron energy distributions with high-energy tails at energies corresponding to the ionization potentials of many ions emitting in the extreme-ultraviolet and ultraviolet portions of the spectrum. Methods: We calculate the synthetic Si iv, O iv, and S iv spectra in the far ultraviolet channel of the Interface Region Imaging Spectrograph (IRIS). Ionization, recombination, and excitation rates are obtained by integration of the cross-sections or their approximations over the model electron distributions considering particle propagation from the hotter corona. Results: The ionization rates are significantly affected by the presence of high-energy tails. This leads to the peaks of the relative abundance of individual ions to be broadened with pronounced low-temperature shoulders. As a result, the contribution functions of individual lines observable by IRIS also exhibit low-temperature shoulders, or their peaks are shifted to temperatures an order of magnitude lower than for the Maxwellian distribution. The integrated emergent spectra can show enhancements of Si iv compared to O iv by more than a factor of two. Conclusions: The high-energy particles can have significant impact on the emergent spectra and their presence needs to be considered even in situations without strong local acceleration.

K-shell X-ray transition energies of multi-electron ions of silicon and sulfur

NASA Astrophysics Data System (ADS)

Beiersdorfer, P.; Brown, G. V.; Hell, N.; Santana, J. A.

2017-10-01

Prompted by the detection of K-shell absorption or emission features in the spectra of plasma surrounding high mass X-ray binaries and black holes, recent measurements using the Livermore electron beam ion trap have focused on the energies of the n = 2 to n = 1 K-shell transitions in the L-shell ions of lithiumlike through fluorinelike silicon and sulfur. In parallel, we have made calculations of these transitions using the Flexible Atomic Code and the multi-reference Møller-Plesset (MRMP) atomic physics code. Using this code we have attempted to produce sets of theoretical atomic data with spectroscopic accuracy for all the L-shell ions of silicon and sulfur. We present results of our calculations for oxygenlike and fluorinelike silicon and compare them to the recent electron beam ion trap measurements as well as previous calculations.

The Dilemmas of Energy: Essential energy services and potentially fatal risks

NASA Astrophysics Data System (ADS)

Perkins, J. H.

2018-01-01

During their evolution, humans have made three energy transitions, each marked by the adoption of new ways of procuring energy with attendant changes in lifestyle. Modern civilization arose in the Third Energy Transition, and its major sources of energy come from coal, oil, gas, uranium, and hydropower. Unfortunately, despite its incalculable benefits, the Third Transition can’t provide sustainable energy services for the indefinite future. Climate change is the most serious problem. Criteria and standards for each of the currently available, nine primary energy sources indicate the potential feasibility of replacing most or all uses of coal, oil, gas, and uranium with hydropower, solar, wind, biomass, and geothermal. This is the Fourth Energy Transition, promotion of which is strongly supported by considerations of sustainability.

CEOS Contributions to Informing Energy Management and Policy Decision Making Using Space-Based Earth Observations

NASA Technical Reports Server (NTRS)

Eckman, Richard S.

2009-01-01

Earth observations are playing an increasingly significant role in informing decision making in the energy sector. In renewable energy applications, space-based observations now routinely augment sparse ground-based observations used as input for renewable energy resource assessment applications. As one of the nine Group on Earth Observations (GEO) societal benefit areas, the enhancement of management and policy decision making in the energy sector is receiving attention in activities conducted by the Committee on Earth Observation Satellites (CEOS). CEOS has become the "space arm" for the implementation of the Global Earth Observation System of Systems (GEOSS) vision. It is directly supporting the space-based, near-term tasks articulated in the GEO three-year work plan. This paper describes a coordinated program of demonstration projects conducted by CEOS member agencies and partners to utilize Earth observations to enhance energy management end-user decision support systems. I discuss the importance of engagement with stakeholders and understanding their decision support needs in successfully increasing the uptake of Earth observation products for societal benefit. Several case studies are presented, demonstrating the importance of providing data sets in formats and units familiar and immediately usable by decision makers. These projects show the utility of Earth observations to enhance renewable energy resource assessment in the developing world, forecast space-weather impacts on the power grid, and improve energy efficiency in the built environment.

Unidirectional Transition Waves in Bistable Lattices

NASA Astrophysics Data System (ADS)

Nadkarni, Neel; Arrieta, Andres F.; Chong, Christopher; Kochmann, Dennis M.; Daraio, Chiara

2016-06-01

We present a model system for strongly nonlinear transition waves generated in a periodic lattice of bistable members connected by magnetic links. The asymmetry of the on-site energy wells created by the bistable members produces a mechanical diode that supports only unidirectional transition wave propagation with constant wave velocity. We theoretically justify the cause of the unidirectionality of the transition wave and confirm these predictions by experiments and simulations. We further identify how the wave velocity and profile are uniquely linked to the double-well energy landscape, which serves as a blueprint for transition wave control.

Learning in Global Settings: Developing Transitions for Meaning-Making

ERIC Educational Resources Information Center

Norden, Birgitta; Avery, Helen; Anderberg, Elsie

2012-01-01

Global teaching and learning for sustainable development reaches from the classroom to the world outside, and is therefore a particularly interesting setting for practising transition skills. The article suggests a number of features perceived as crucial in developing young people's capability to act in a changing world and under circumstances…

Making the Transition to Hospice: Exploring Hospice Professionals' Perspectives

ERIC Educational Resources Information Center

Waldrop, Deborah P.; Rinfrette, Elaine S.

2009-01-01

Hospice care is available for 6 months before death but the length of use varies widely, suggesting that there are different perspectives on the appropriate timing for this transition. This qualitative study explored hospice professionals' views on the appropriate timing for and communication about hospice. Ethnography of team meetings informed…

Near-inertial kinetic energy budget of the mixed layer and shear evolution in the transition layer in the Arabian Sea during the monsoons

NASA Astrophysics Data System (ADS)

Majumder, Sudip; Tandon, Amit; Rudnick, Daniel L.; Thomas Farrar, J.

2015-09-01

We present the horizontal kinetic energy (KE) balance of near-inertial currents in the mixed layer and explain shear evolution in the transition layer using observations from a mooring at 15.26° N in the Arabian Sea during the southwest monsoon. The highly sheared and stratified transition layer at the mixed-layer base varies between 5 m and 35 m and correlates negatively with the wind stress. Results from the mixed layer near-inertial KE (NIKE) balance suggest that wind energy at times can energize the transition layer and at other times is fully utilized within the mixed layer. A simple two layer model is utilized to study the shear evolution in the transition layer and shown to match well with observations. The shear production in this model arises from alignment of wind stress and shear. Although the winds are unidirectional during the monsoon, the shear in the transition layer is predominantly near-inertial. The near-inertial shear bursts in the observations show the same phasing and magnitude at near-inertial frequencies as the wind-shear alignment term.

Correlation, Breit and Quantum Electrodynamics effects on energy level and transition properties of W54+ ion

NASA Astrophysics Data System (ADS)

Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong

2017-03-01

The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules

DOE PAGES

Yu, Hua-Gen

2015-01-28

We report a rigorous full dimensional quantum dynamics algorithm, the multi-layer Lanczos method, for computing vibrational energies and dipole transition intensities of polyatomic molecules without any dynamics approximation. The multi-layer Lanczos method is developed by using a few advanced techniques including the guided spectral transform Lanczos method, multi-layer Lanczos iteration approach, recursive residue generation method, and dipole-wavefunction contraction. The quantum molecular Hamiltonian at the total angular momentum J = 0 is represented in a set of orthogonal polyspherical coordinates so that the large amplitude motions of vibrations are naturally described. In particular, the algorithm is general and problem-independent. An applicationmore » is illustrated by calculating the infrared vibrational dipole transition spectrum of CH₄ based on the ab initio T8 potential energy surface of Schwenke and Partridge and the low-order truncated ab initio dipole moment surfaces of Yurchenko and co-workers. A comparison with experiments is made. The algorithm is also applicable for Raman polarizability active spectra.« less

Energy balance in the solar transition region. III - Helium emission in hydrostatic, constant-abundance models with diffusion

NASA Technical Reports Server (NTRS)

Fontenla, J. M.; Avrett, E. H.; Loeser, R.

1993-01-01

In our previous papers we described the mathematical formalism and the computed results for energy-balance hydrostatic models of the solar transition region. In this paper we discuss in some detail the limitations of the hydrostatic and one-dimensional assumptions used. Then we analyze the determination of helium emission when diffusion is included. We use transport coefficients estimated from kinetic theory to determine the helium departures from local ionization balance. We calculate the helium spectra for each of our models and evaluate the role of helium in the energy transport. Also, we investigate the effects of coronal illumination on the structure of the transition region and upper chromosphere, and show how coronal illumination affects various EUV lines and the He I 10830 A line. Comparing with both absolute intensities and detailed line profiles, we show that our models are consistent not only with the observed hydrogen spectra but also with the available helium spectra.

Mercury Solar Transit

NASA Image and Video Library

2016-05-09

Boyertown Area High School 12th grade student Ben Maurer uses his smartphone and a photographers lens with a solar filter to make a photograph of the planet Mercury transitting the sun, Monday, May 9, 2016, Boyertown area High School, Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

Mechanical heating in the transition region

NASA Technical Reports Server (NTRS)

Withbroe, G.

1981-01-01

Attention is focused on the energy balance in the transition region and the role that mechanical heating plays in determining the temperature density structure of this region in a stellar atmosphere. Because of its role as the interface layer through which mass and energy flow between the chromospheres and corona, direct deposition of mechanical energy is a relatively unimportant factor in the overall energy balance in the transition region, except in the uppermost layers where the temperature approaches coronal values.

Summer Center for Climate, Energy, and Environmental Decision Making (SUCCEED)

NASA Astrophysics Data System (ADS)

Klima, K.; Hoss, F.; Welle, P.; Larkin, S.

2013-12-01

Science, Technology, and Math (STEM) fields are responsible for more than half of our sustained economic expansion, and over the past 25 years the science and engineering workforce has remained at over 5% of all U.S. jobs. However, America lags behind other nations when it comes to STEM education; globally, American students rank 23th in math and 31st in science. While our youngest students show an interest in STEM subjects, roughly 40% of college students planning to major in STEM switch to other subjects. Women and minorities, 50% and 43% of school-age children, are disproportionally underrepresented in STEM fields (25% and 15%, respectively). Studies show that improved teacher curriculum combined with annual student-centered learning summer programs can promote and sustain student interest in STEM fields. Many STEM fields appear superficially simple, and yet can be truly complex and controversial topics. Carnegie Mellon University's Center for Climate and Energy Decision Making focuses on two such STEM fields: climate and energy. In 2011, we created SUCCEED: the Summer Center for Climate, Energy, and Environmental Decision Making. SUCCEED consisted of two pilot programs: a 2-day workshop for K-12 teacher professional development and a free 5-day summer school targeted at an age gap in the university's outreach, students entering 10th grade. In addition to teaching lessons climate, energy, and environment, the program aimed to highlight different STEM careers so students could better understand the breadth of choices available. SUCCEED, repeated in 2012, was wildly successful. A pre/post test demonstrated a significant increase in understanding of STEM topics. Furthermore, SUCCEED raised excitement for STEM; teachers were enthusiastic about accurate student-centered learning plans and students wanted to know more. To grow these efforts, an additional component has been added to the SUCCEED 2013 effort: online publicly available curricula. Using the curricula form

Prospective prediction of children's smoking transitions: role of parents' and older siblings' smoking.

PubMed

Bricker, Jonathan B; Peterson, Arthur V; Leroux, Brian G; Andersen, M Robyn; Rajan, K Bharat; Sarason, Irwin G

2006-01-01

To use a novel social epidemic probability model to investigate longitudinally the extent to which parents' and older siblings' smoking predict children's smoking transitions. Parents' and older siblings' smoking status was assessed when children were in 3rd grade (baseline). Three smoking transitions were assessed over the period of child/adolescent smoking acquisition (up to 12th grade): (1) transition from never smoking to trying smoking, (2) transition from trying to monthly smoking and (3) transition from monthly to daily smoking. Forty Washington State school districts participating in the long term Hutchinson Smoking Prevention Project (HSPP). Participants were the 5520 families for whom data on both parents' and older siblings' baseline smoking status, as well as on children's smoking transitions, were available. The probability that a smoking parent influenced their child to make the first transition to trying smoking was 32% (95% CI: 27%, 36%); to make the second transition from trying to monthly smoking, 15% (95% CI: 10%, 19%); and to make the third transition from monthly to daily smoking, 28% (95% CI: 21%, 34%). The probability that an older sibling influenced a child to make the first transition to trying smoking was 29% (95% CI: 17%, 39%); to make the second transition from trying to monthly smoking, 0% (95% CI: 0%, 8%); and to make the third transition from monthly to daily smoking, 20% (95% CI: 4%, 33%). In contrast to previous research, the results provide new evidence suggesting that family smoking influences both initiation and escalation of children's smoking. Results also quantify, in terms of probabilities, the importance of parents' and older siblings' smoking on children's three major smoking transitions. Parents' smoking, as well as older siblings' smoking, are important behaviors to target in preventing adolescents from making smoking transitions.

High current density ion beam obtained by a transition to a highly focused state in extremely low-energy region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirano, Y., E-mail: y.hirano@aist.go.jp, E-mail: hirano.yoichi@phys.cst.nihon-u.ac.jp; College of Science and Technologies, Nihon University, Chiyodaku, Tokyo 101-0897; Kiyama, S.

2015-11-15

A high current density (≈3 mA/cm{sup 2}) hydrogen ion beam source operating in an extremely low-energy region (E{sub ib} ≈ 150–200 eV) has been realized by using a transition to a highly focused state, where the beam is extracted from the ion source chamber through three concave electrodes with nominal focal lengths of ≈350 mm. The transition occurs when the beam energy exceeds a threshold value between 145 and 170 eV. Low-level hysteresis is observed in the transition when E{sub ib} is being reduced. The radial profiles of the ion beam current density and the low temperature ion current densitymore » can be obtained separately using a Faraday cup with a grid in front. The measured profiles confirm that more than a half of the extracted beam ions reaches the target plate with a good focusing profile with a full width at half maximum of ≈3 cm. Estimation of the particle balances in beam ions, the slow ions, and the electrons indicates the possibility that the secondary electron emission from the target plate and electron impact ionization of hydrogen may play roles as particle sources in this extremely low-energy beam after the compensation of beam ion space charge.« less

Anchoring Energy Measurements at the Aqueous Phase/Liquid Crystal Interface with Cationic Surfactants Using Magnetic Fréedericksz Transition.

PubMed

Yesil, Fatma; Suwa, Masayori; Tsukahara, Satoshi

2018-01-09

We constructed the apparatus to observe the Fréedericksz transition of liquid crystal in contact with water. The Fréedericksz transition is a distortion of nematic liquid crystals (LCs) induced by external fields. In the present system, sweeping homogeneous magnetic field was applied to the sample, and the distortion of the LC was visualized with a polarized light microscope with the crossed Nichols configuration. The anchoring energy (W AQ/LC ) at the aqueous phase/LC interface was measured in the presence of surfactant from the threshold magnetic field of the Fréedericksz transition. We studied two cationic surfactants: dodecyltrimethylammonium bromide and tetradecyltrimethylammonium bromide. A nematic LC, 4-cyano-4'-pentylbiphenyl (5CB), was examined, which was confined in a copper grid on an octadecyltrichlorosilane-treated microscope glass plate. Measured W AQ/LC were reproducible and showed consistence with the reported region for the water/LC interface. Interfacial excess of surfactants was also measured by the pendant drop method, and the relationship between the obtained W AQ/LC and the interfacial excess was investigated. Experiments showed that an increase in the anchoring energy depends on the surfactant and its interfacial excess. The region of the interfacial coverage, at which W AQ/LC increases, varied with the chain length of the surfactant. The measurement of the anchoring energy will provide new fundamental information on aqueous phase/LC interface.

Development of phonon-mediated transition-edge-sensor x-ray detectors for use in astronomy

NASA Astrophysics Data System (ADS)

Leman, Steven W.

Low temperature detectors have grown in popularity over the years for a variety of reasons. Reduced thermal noise and the associated reduction in statistical fluctuations improve signal to noise. Novel material properties at low temperature such as superconductivity can be exploited. And let us not forget easier access to cryogenic techniques, for example industry made and sold refrigerators eliminating the need for graduate students to make their own. In this thesis I discuss development of a novel phonon-mediated distributed transition-edge-sensor x-ray detector which would be useful for astrophysical studies such as magnetic recombination in the solar corona, the warm-hot intergalactic medium and surveys of clusters and groups of galaxies. The detector uses a large semiconductor absorber and Transition-Edge-Sensors (TESs) to readout the absorbed energy. Calorimetry is performed on individual photons and a partitioning of the energy between various TESs allows for position determination. Hence time varying astronomical sources can be spectroscopically studied and imaged. I will conclude with a discussion of the detector's performance and propose a next generation detector which could make significant improvements on the design discussed in this thesis.

3D Printed Potential and Free Energy Surfaces for Teaching Fundamental Concepts in Physical Chemistry

ERIC Educational Resources Information Center

Kaliakin, Danil S.; Zaari, Ryan R.; Varganov, Sergey A.

2015-01-01

Teaching fundamental physical chemistry concepts such as the potential energy surface, transition state, and reaction path is a challenging task. The traditionally used oversimplified 2D representation of potential and free energy surfaces makes this task even more difficult and often confuses students. We show how this 2D representation can be…

Calculations for energies, transition rates, and lifetimes in Al-like Kr XXIV

NASA Astrophysics Data System (ADS)

Zhang, C. Y.; Si, R.; Liu, Y. W.; Yao, K.; Wang, K.; Guo, X. L.; Li, S.; Chen, C. Y.

2018-05-01

Using the second-order many-body perturbation theory (MBPT) method, a complete and accurate data set of excitation energies, lifetimes, wavelengths, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) line strengths, transition rates, and oscillator strengths for the lowest 880 levels arising from the 3l3 (0 ≤ l ≤ 2), 3l2 4l‧ (0 ≤ l ≤ 2, 0 ≤l‧ ≤ 3), 3s2 5 l (0 ≤ l ≤ 4), 3p2 5 l (0 ≤ l ≤ 1), and 3s3p5 l (0 ≤ l ≤ 4) configurations in Al-like Kr XXIV is provided. Comparisons are made with available experimental and theoretical results. Our calculated energies are expected to be accurate enough to facilitate identifications of observed lines involving the n = 4 , 5 levels. The complete data set is also useful for modeling and diagnosing fusion plasma.

Wavelengths, Transition Probabilities, and Energy Levels for the Spectra of Strontium Ions (Sr II through Sr XXXVIII)

NASA Astrophysics Data System (ADS)

Sansonetti, J. E.

2012-03-01

Energy levels, with designations and uncertainties, have been compiled for the spectra of strontium (Z=38) ions from singly ionized to hydrogen-like. Wavelengths with classifications, intensities, and transition probabilities are also tabulated. In addition, ground states and ionization energies are listed. For many ionization stages experimental data are available; however for those for which only theoretical calculations or fitted values exist, these are reported. There are a few ionization stages for which only a calculated ionization potential is available.

Transit Technology Evaluation - A Literature Capsule

DOT National Transportation Integrated Search

1981-11-01

The report is designed to make the literature on transportation concerning promising new transit technology more accessible to users. The Transit Technology Evaluation Program investigates the technical, social, and economic factors involved in the p...

FTA real-time transit information assessment : white paper on literature review of real-time transit information systems.

DOT National Transportation Integrated Search

Real-time transit information systems are key technology applications within the transit industry designed to provide better customer service by disseminating timely and accurate information. Riders use this information to make various decisions abou...

Public Discourse in Energy Policy Decision-Making: Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Idaho Citizen; Eileen DeShazo; John Freemuth

The ground is littered with projects that failed because of strong public opposition, including natural gas and coal power plants proposed in Idaho over the past several years. This joint project , of the Idaho National Laboratory, Boise State University, Idaho State University and University of Idaho has aimed to add to the tool box to reduce project risk through encouraging the public to engage in more critical thought and be more actively involved in public or social issues. Early in a project, project managers and decision-makers can talk with no one, pro and con stakeholder groups, or members ofmore » the public. Experience has shown that talking with no one outside of the project incurs high risk because opposition stakeholders have many means to stop most (if not all) energy projects. Talking with organized stakeholder groups provides some risk reduction from mutual learning, but organized groups tend not to change positions except under conditions of a negotiated settlement. Achieving a negotiated settlement may be impossible. Furthermore, opposition often arises outside pre-existing groups. Standard public polling provides some information but does not reveal underlying motivations, intensity of attitudes, etc. Improved methods are needed that probe deeper into stakeholder (organized groups and members of the public) values and beliefs/heuristics to increase the potential for change of opinions and/or out-of-box solutions. The term “heuristics” refers to the mental short-cuts, underlying beliefs, and paradigms that everyone uses to filter and interpret information, to interpret what is around us, and to guide our actions and decisions. This document is the final report of a 3-year effort to test different public discourse methods in the subject area of energy policy decision-making. We analyzed 504 mail-in surveys and 80 participants in groups on the Boise State University campus for their preference, financial support, and evaluations of eight

Transition of surface energy budget in the Gobi Desert between spring and summer seasons

NASA Technical Reports Server (NTRS)

Smith, Eric A.; Reiter, Elmar R.; Gao, Youxi

1986-01-01

The surface energetics of the southwest Gobi Desert, including the temporal variations and diurnally averaged properties of the surface energy budget components, was investigated. The field program was conducted during the spring and summer of 1984, with the measurement system designed to monitor radiative exchange, heat/moisture storage in the soil, and sensible and latent heat exhange between the ground and the atmosphere. Results of the analysis reveal a seasonal transition feature not expected of a midlatitude desert. Namely, the differences in both surface radiation exchange and the distibution of sensible and latent heat transfer arise within a radiatively forced environment that barely deviates from spring to summer in terms of available solar energy at the surface. Both similarities and differences in the spring and summer surface energy budgets arise from differences imparted to the system by an increase in the summertime atmospheric moisture content. Changes in the near-surface mixing ratio are shown to alter the effectiveness of the desert surface in absorbing radiative energy and redistibuting it to the lower atmosphere through sensible and latent heat exchange.

Geo-portal as a planning instrument: supporting decision making and fostering market potential of Energy efficiency in buildings

NASA Astrophysics Data System (ADS)

Cuca, Branka; Brumana, Raffaella; Oreni, Daniela; Iannaccone, Giuliana; Sesana, Marta Maria

2014-03-01

Steady technological progress has led to a noticeable advancement in disciplines associated with Earth observation. This has enabled information transition regarding changing scenarios, both natural and urban, to occur in (almost) real time. In particular, the need for integration on a local scale with the wider territorial framework has occurred in analysis and monitoring of built environments over the last few decades. The progress of Geographic Information (GI) science has provided significant advancements when it comes to spatial analysis, while the almost free availability of the internet has ensured a fast and constant exchange of geo-information, even for everyday users' requirements. Due to its descriptive and semantic nature, geo-spatial information is capable of providing a complete overview of a certain phenomenon and of predicting the implications within the natural, social and economic context. However, in order to integrate geospatial data into decision making processes, it is necessary to provide a specific context, which is well supported by verified data. This paper investigates the potentials of geo-portals as planning instruments developed to share multi-temporal/multi-scale spatial data, responding to specific end-users' demands in the case of Energy efficiency in Buildings (EeB) across European countries. The case study regards the GeoCluster geo-portal and mapping tool (Project GE2O, FP7), built upon a GeoClustering methodology for mapping of indicators relevant for energy efficiency technologies in the construction sector.

ENERGY CONVERSION FOR THE TRANSITION FROM Al TO γ-Al2O3 NANOPARTICLES

NASA Astrophysics Data System (ADS)

Wang, Shulin; Li, Shengjuan; Xu, Bo; Jian, Dunliang; Zhu, Yufang

2013-07-01

We have successfully converted large volume Al particles into γ-Al2O3 nanostructures by vibration milling at room temperature and successive treatment. We show that there exist special relationships among stacking fault energy (SFE), strain energy (SRE), and surface energy (SE) of the materials, including interdependence, intercompetition, and interconversion during the phase transition. SFE and SRE perform the same changing tendency, while SE just does the opposite. However, it is not the particle size but the energy state that determines the reactivity of the materials. And it is the SE that can directly determine the physical chemical reaction and the conversion into the end product rather than SFE and SRE. When SE goes up, the material reactivity and the product yield will be enhanced; and when SE goes down, the reaction and the product yield will decay. However, the state of SE depends closely on the change tendency of the SFE and SRE. That is, when SFE and SRE goes up, SE will goes down; if SFE and SRE goes down, SE will goes up. It seems that energy conservation law may be followed in a sense in the particle system if the external input keeps constant. The work may be significant for energy conversion in nano-scale and mechanosynthesis of oxide nanoparticles.

K-shell X-ray transition energies of multi-electron ions of silicon and sulfur

DOE PAGES

Beiersdorfer, P.; Brown, G. V.; Hell, N.; ...

2017-04-20

Prompted by the detection of K-shell absorption or emission features in the spectra of plasma surrounding high mass X-ray binaries and black holes, recent measurements using the Livermore electron beam ion trap have focused on the energies of the n = 2 to n = 1 K-shell transitions in the L-shell ions of lithiumlike through fluorinelike silicon and sulfur. In parallel, we have made calculations of these transitions using the Flexible Atomic Code and the multi-reference Møller-Plesset (MRMP) atomic physics code. Using this code we have attempted to produce sets of theoretical atomic data with spectroscopic accuracy for all themore » L-shell ions of silicon and sulfur. Here, we present results of our calculations for oxygenlike and fluorinelike silicon and compare them to the recent electron beam ion trap measurements as well as previous calculations.« less

Transition between inverse and direct energy cascades in multiscale optical turbulence.

PubMed

Malkin, V M; Fisch, N J

2018-03-01

Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a single scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.

Transition between inverse and direct energy cascades in multiscale optical turbulence

NASA Astrophysics Data System (ADS)

Malkin, V. M.; Fisch, N. J.

2018-03-01

Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a single scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.

MCDM analysis of wind energy in Turkey: decision making based on environmental impact.

PubMed

Değirmenci, Sinem; Bingöl, Ferhat; Sofuoglu, Sait C

2018-05-08

Development of new wind energy projects require complex planning process involving many social, technical, economic, environmental, political concerns, and different agents such as investors, utilities, governmental agencies, or social groups. The aim of this study is to develop a tool combining Geographic Information System (GIS) and Multi-Criteria Decision-Making (MCDM) methodologies, and its application for Turkey as a case study. A variety of constraints and criteria were identified based on a literature review and regulations gathered from variety of agencies, use of which resulted in determination of infeasible sites. Then, pairwise comparisons were carried out using analytic hierarchy process as the MCDM method to estimate relative importance of the criteria, and to visualize a suitability map with three classes. As the final stage, decision making was carried out based on environmental impact where 45.5% of the Turkish territory was found as infeasible area. Sixty percent of the remaining area are covered by the moderate suitability class, followed by the highly suitable area (20.3%) and low suitable area (19.8%). The output of this study can be used by energy planners to estimate the extent that wind energy can be developed based on public perception, administrative, and environmental aspects.

Energy barriers and rates of tautomeric transitions in DNA bases: ab initio quantum chemical study.

PubMed

Basu, Soumalee; Majumdar, Rabi; Das, Gourab K; Bhattacharyya, Dhananjay

2005-12-01

Tautomeric transitions of DNA bases are proton transfer reactions, which are important in biology. These reactions are involved in spontaneous point mutations of the genetic material. In the present study, intrinsic reaction coordinates (IRC) analyses through ab initio quantum chemical calculations have been carried out for the individual DNA bases A, T, G, C and also A:T and G:C base pairs to estimate the kinetic and thermodynamic barriers using MP2/6-31G** method for tautomeric transitions. Relatively higher values of kinetic barriers (about 50-60 kcal/mol) have been observed for the single bases, indicating that tautomeric alterations of isolated single bases are quite unlikely. On the other hand, relatively lower values of the kinetic barriers (about 20-25 kcal/mol) for the DNA base pairs A:T and G:C clearly suggest that the tautomeric shifts are much more favorable in DNA base pairs than in isolated single bases. The unusual base pairing A':C, T':G, C':A or G':T in the daughter DNA molecule, resulting from a parent DNA molecule with tautomeric shifts, is found to be stable enough to result in a mutation. The transition rate constants for the single DNA bases in addition to the base pairs are also calculated by computing the free energy differences between the transition states and the reactants.

Sandia and NJ TRANSIT Authority Developing Resilient Power Grid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hanley, Charles J.; Ellis, Abraham

2014-11-01

Through the memorandum of understanding between the Depratment of Energy (DOE), the New Jersey Transit Authority (NJ Transit), and the New Jersey Board of Public Utilities, Sandia National Labs is assisting NJ Transit in developing NJ TransitGrid: an electric microgrid that will include a large-scale gas-fired generation facility and distributed energy resources (photovoltaics [PV], energy storage, electric vehicles, combined heat and power [CHP]) to supply reliable power during storms or other times of significant power failure. The NJ TransitGrid was awarded $410M from the Department of Transportation to develop a first-of-its-kind electric microgrid capable of supplying highly-reliable power.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

PubMed

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

2016-12-14

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W.; Poole, Peter H.

2016-12-01

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Supporting Energy Transitions and Miscanthus Program Development at the University of Iowa

NASA Astrophysics Data System (ADS)

Lain, Kayley Christina

Miscanthus is a highly productive, low-input biofuel crop that supports agricultural diversification with improved performance for climate commitment, energy security, and water quality over first generation biofuels. Despite its high performance, no local or regional markets for the feedstock have formed in North America, and current climate-based productivity assessment methods lack the information farmers and decision-makers need to establish commercial scale bioenergy markets, programs, and thermal co-firing plans. This study develops a Miscanthus Suitability Rating and a transferable field-scale siting method, applied at 10 m resolution across the State of Iowa to assess miscanthus production potential and identify individual farms that are highly suitable for large-scale miscanthus cultivation while maintaining a majority of existing row cropping acreage. Results show that highly suitable fields within 50 miles (84 km) of each of Iowa's coal-fired electrical generating units (EGUs) can displace up to 43% of current coal consumption. Every EGU in Iowa has land resource to produce local miscanthus to co-fire with other solid fuels at industry-leading levels without significantly impacting local row crop production. Seven of the state's smaller facilities could even operate exclusively on local miscanthus with advancements in densification technology. The energy evaluation tool developed in this work estimates the energy return on investment (EROI) of Iowa miscanthus for existing thermal generation facilities between 37 and 59, depending on transportation requirements and chemical field applications. This transition would diversify local agribusiness and energy feedstocks, reduce greenhouse gas emissions and provide a sustainable, dispatchable, in-state fuel source to complement wind and solar energy.

Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

PubMed

Wang, Jinan; Shao, Qiang; Xu, Zhijian; Liu, Yingtao; Yang, Zhuo; Cossins, Benjamin P; Jiang, Hualiang; Chen, Kaixian; Shi, Jiye; Zhu, Weiliang

2014-01-09

Large-scale conformational changes of proteins are usually associated with the binding of ligands. Because the conformational changes are often related to the biological functions of proteins, understanding the molecular mechanisms of these motions and the effects of ligand binding becomes very necessary. In the present study, we use the combination of normal-mode analysis and umbrella sampling molecular dynamics simulation to delineate the atomically detailed conformational transition pathways and the associated free-energy landscapes for three well-known protein systems, viz., adenylate kinase (AdK), calmodulin (CaM), and p38α kinase in the absence and presence of respective ligands. For each protein under study, the transient conformations along the conformational transition pathway and thermodynamic observables are in agreement with experimentally and computationally determined ones. The calculated free-energy profiles reveal that AdK and CaM are intrinsically flexible in structures without obvious energy barrier, and their ligand binding shifts the equilibrium from the ligand-free to ligand-bound conformation (population shift mechanism). In contrast, the ligand binding to p38α leads to a large change in free-energy barrier (ΔΔG ≈ 7 kcal/mol), promoting the transition from DFG-in to DFG-out conformation (induced fit mechanism). Moreover, the effect of the protonation of D168 on the conformational change of p38α is also studied, which reduces the free-energy difference between the two functional states of p38α and thus further facilitates the conformational interconversion. Therefore, the present study suggests that the detailed mechanism of ligand binding and the associated conformational transition is not uniform for all kinds of proteins but correlated to their respective biological functions.

The FFAG return loop for the CBETA Energy Recovery Linac

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berg, J. S.

2017-04-28

The CBETA energy recovery linac uses a single xed eld alternating gradient (FFAG) beam line to return the beam for electron beams with four energies, ranging from 42 MeV to 150 MeV. To keep the beam line compact, the ends of the return line have a small radius of curvature, but the central part of the return line is straight. These are connected by transition lines that adiabatically change from one to the other. We rst describe the design or the arc cell. We then describe how a straight cell is created to be a good match to this arcmore » cell. We then describe the design of the transition line between them. The design process makes use of eld maps for the desired magnets. Because we switch magnet types as we move from the arc, through the transition, and into the straight, there are discrete jumps in the elds that degrade the adiabaticity of the transition, and we describe corrections to manage that.« less

Free-Free Transitions in the Presence of Laser Fields at Very Low Incident Electron Energy

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Sinha, Chandana

2010-01-01

We study the free-free transition in electron-hydrogenic systems in ground state in presence of an external laser field at very loud incident energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen to be monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser in a nonperturbative manner by choosing a Volkov wave function for it. The scattering weave function for the electron is solved numerically by taking into account the effect of the electron exchange, short-range as well as of the long-range interactions to get the S and P wave phase shifts while for the higher angular momentum phase shifts the exchange approximation has only been considered. We calculate the laser assisted differential cross sections (LADCS) for the aforesaid free-free transition process for single photon absorption/emission. The laser intensity is chosen to be much less than the atomic field intensity. A strong suppression is noted in the LADCS as compared to the field free (FF) cross sections. Unlike the FF ones, the LADCS exhibit some oscillations having a distinct maximum at a low value of the scattering angle depending on the laser parameters as well as on the incident energies.

Free-Free Transitions in the Presence of Laser Fields at Very Low Incident Electron Energy

NASA Technical Reports Server (NTRS)

Bhatia, Anand K.; Sinha, Chandana

2009-01-01

We study the free-free transition in electron-hydrogenic systems in ground state in presence of an external laser field at very low incident energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen to be monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser in a nonperturbative manner by choosing a Volkov wave function for it The scattering wave function for the electron is solved numerically by taking into account the effect of the electron exchange, short-range as well as of the long-range interactions to get the S and P wave phase shifts while for the higher angular momentum phase shifts, the exchange approximation has only been considered. We calculate the laser-assisted differential cross sections (LADCS) for the aforesaid free-free transition process for single photon absorption/emission. The laser intensity is chosen to be much less than the atomic field intensity. A strong suppression is noted in the LADCS as compared to the field free (FF) cross sections. Unlike the FF ones, the LADCS exhibit some oscillations having a distinct maximum at a low value of the scattering angle depending on the laser parameters as well as on the incident energies.

Changes in Microbial Energy Metabolism Measured by Nanocalorimetry during Growth Phase Transitions

PubMed Central

Robador, Alberto; LaRowe, Douglas E.; Finkel, Steven E.; Amend, Jan P.; Nealson, Kenneth H.

2018-01-01

Calorimetric measurements of the change in heat due to microbial metabolic activity convey information about the kinetics, as well as the thermodynamics, of all chemical reactions taking place in a cell. Calorimetric measurements of heat production made on bacterial cultures have recorded the energy yields of all co-occurring microbial metabolic reactions, but this is a complex, composite signal that is difficult to interpret. Here we show that nanocalorimetry can be used in combination with enumeration of viable cell counts, oxygen consumption rates, cellular protein content, and thermodynamic calculations to assess catabolic rates of an isolate of Shewanella oneidensis MR-1 and infer what fraction of the chemical energy is assimilated by the culture into biomass and what fraction is dissipated in the form of heat under different limiting conditions. In particular, our results demonstrate that catabolic rates are not necessarily coupled to rates of cell division, but rather, to physiological rearrangements of S. oneidensis MR-1 upon growth phase transitions. In addition, we conclude that the heat released by growing microorganisms can be measured in order to understand the physiochemical nature of the energy transformation and dissipation associated with microbial metabolic activity in conditions approaching those found in natural systems. PMID:29449836

2D transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Manzeli, Sajedeh; Ovchinnikov, Dmitry; Pasquier, Diego; Yazyev, Oleg V.; Kis, Andras

2017-08-01

Graphene is very popular because of its many fascinating properties, but its lack of an electronic bandgap has stimulated the search for 2D materials with semiconducting character. Transition metal dichalcogenides (TMDCs), which are semiconductors of the type MX2, where M is a transition metal atom (such as Mo or W) and X is a chalcogen atom (such as S, Se or Te), provide a promising alternative. Because of its robustness, MoS2 is the most studied material in this family. TMDCs exhibit a unique combination of atomic-scale thickness, direct bandgap, strong spin-orbit coupling and favourable electronic and mechanical properties, which make them interesting for fundamental studies and for applications in high-end electronics, spintronics, optoelectronics, energy harvesting, flexible electronics, DNA sequencing and personalized medicine. In this Review, the methods used to synthesize TMDCs are examined and their properties are discussed, with particular attention to their charge density wave, superconductive and topological phases. The use of TMCDs in nanoelectronic devices is also explored, along with strategies to improve charge carrier mobility, high frequency operation and the use of strain engineering to tailor their properties.

Puckering transitions in cyclohexane: Revisited

NASA Astrophysics Data System (ADS)

Kang, Young Kee; Park, Hae Sook

2018-06-01

The interconversion pathways along the puckering transitions in cyclohexane were explored on the two-dimensional projection of the Cremer-Pople sphere using DFT methods and the CCSD(T), MP2, and dispersion-corrected DFT methods with various basis sets were assessed for the relative energies of local minima and transition states for the representative puckering transition pathways. The ωB97X-D/cc-pVTZ and ωB97X-D/def2-QZVP levels of theory well reproduced the relative energies with RMSD = 0.13 kcal/mol against the CCSD(T)/CBS-limit energies. The calculated activation parameters for chair to twist-boat interconversion of cyclohexane at the ωB97X-D/cc-pVTZ//(PCM) M06-2X/6-31+G(d) level of theory were consistent with the observed values.

23 CFR 810.204 - Application by mass transit authority.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 23 Highways 1 2011-04-01 2011-04-01 false Application by mass transit authority. 810.204 Section... MASS TRANSIT AND SPECIAL USE HIGHWAY PROJECTS Making Highway Rights-of-Way Available for Mass Transit Projects § 810.204 Application by mass transit authority. A publicly-owned mass transit authority desiring...

Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane.

PubMed

Li, Jian-Hao; Zuehlsdorff, T J; Payne, M C; Hine, N D M

2015-05-14

We show that the transition origins of electronic excitations identified by quantified natural transition orbital (QNTO) analysis can be employed to connect potential energy surfaces (PESs) according to their character across a wide range of molecular geometries. This is achieved by locating the switching of transition origins of adiabatic potential surfaces as the geometry changes. The transition vectors for analysing transition origins are provided by linear response time-dependent density functional theory (TDDFT) calculations under the Tamm-Dancoff approximation. We study the photochemical CO ring opening of oxirane as an example and show that the results corroborate the traditional Gomer-Noyes mechanism derived experimentally. The knowledge of specific states for the reaction also agrees well with that given by previous theoretical work using TDDFT surface-hopping dynamics that was validated by high-quality quantum Monte Carlo calculations. We also show that QNTO can be useful for considerably larger and more complex systems: by projecting the excitations to those of a reference oxirane molecule, the approach is able to identify and analyse specific excitations of a trans-2,3-diphenyloxirane molecule.

Extended calculations of energies, transition rates, and lifetimes for F-like Kr XXVIII

NASA Astrophysics Data System (ADS)

Zhang, C. Y.; Si, R.; Yao, K.; Gu, M. F.; Wang, K.; Chen, C. Y.

2018-02-01

The excitation energies, lifetimes, wavelengths and E1, E2, M1 and M2 transition rates for the lowest 389 levels of the 2l7, 2l63l‧, 2l64l‧, and 2l65l‧ configurations from second-order many-body perturbation theory (MBPT) calculations, and the results for the lowest 200 states of the 2l7, 2l63l‧, and 2l64l‧ configurations from multi-configuration Dirac-Hartree-Fock (MCDHF) calculations in F-like Kr XXVIII are presented in this work. The relative differences between our two sets of level energies are mostly within 0.005% for the lowest 200 levels. Comparisons are made with experimental and other available theoretical results to assess the reliability and accuracy of the present calculations. We believe them to be the most complete and accurate results for Kr XXVIII at present.

Mothers' Transition Back to Work and Infants' Transition to Child Care: Does Work-Based Child Care Make a Difference?

ERIC Educational Resources Information Center

Skouteris, Helen; McCaught, Simone; Dissanayake, Cheryl

2007-01-01

The overall aim in this study was twofold: to compare the use of work-based (WB) and non-work-based (NWB) child care on the transition back to the workplace for women after a period of maternity leave, and on the transition into child care for the infants of these women. Thirty-five mothers with infants in WB centres and 44 mothers with infants in…

Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo

DOE PAGES

Mayers, Matthew Z.; Berkelbach, Timothy C.; Hybertsen, Mark S.; ...

2015-10-09

Ground-state diffusion Monte Carlo is used to investigate the binding energies and intercarrier radial probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition-metal dichalcogenide materials. We compare these results to approximate variational calculations, as well as to analogous Monte Carlo calculations performed with simplified carrier interaction potentials. Our results highlight the successes and failures of approximate approaches as well as the physical features that determine the stability of small carrier complexes in monolayer transition-metal dichalcogenide materials. In conclusion, we discuss points of agreement and disagreement with recent experiments.

Cascade morphology transition in bcc metals