WorldWideScience

Sample records for underlying energy landscape

  1. Specificity and affinity quantification of flexible recognition from underlying energy landscape topography.

    Directory of Open Access Journals (Sweden)

    Xiakun Chu

    2014-08-01

    Full Text Available Flexibility in biomolecular recognition is essential and critical for many cellular activities. Flexible recognition often leads to moderate affinity but high specificity, in contradiction with the conventional wisdom that high affinity and high specificity are coupled. Furthermore, quantitative understanding of the role of flexibility in biomolecular recognition is still challenging. Here, we meet the challenge by quantifying the intrinsic biomolecular recognition energy landscapes with and without flexibility through the underlying density of states. We quantified the thermodynamic intrinsic specificity by the topography of the intrinsic binding energy landscape and the kinetic specificity by association rate. We found that the thermodynamic and kinetic specificity are strongly correlated. Furthermore, we found that flexibility decreases binding affinity on one hand, but increases binding specificity on the other hand, and the decreasing or increasing proportion of affinity and specificity are strongly correlated with the degree of flexibility. This shows more (less flexibility leads to weaker (stronger coupling between affinity and specificity. Our work provides a theoretical foundation and quantitative explanation of the previous qualitative studies on the relationship among flexibility, affinity and specificity. In addition, we found that the folding energy landscapes are more funneled with binding, indicating that binding helps folding during the recognition. Finally, we demonstrated that the whole binding-folding energy landscapes can be integrated by the rigid binding and isolated folding energy landscapes under weak flexibility. Our results provide a novel way to quantify the affinity and specificity in flexible biomolecular recognition.

  2. Research using energy landscape

    International Nuclear Information System (INIS)

    Kim, Hack Jin

    2007-01-01

    Energy landscape is a theoretical tool used for the study of systems where cooperative processes occur such as liquid, glass, clusters, and protein. Theoretical and experimental researches related to energy landscape are introduced in this review

  3. Monitoring Forest Change in Landscapes Under-Going Rapid Energy Development: Challenges and New Perspectives

    Directory of Open Access Journals (Sweden)

    Paul D. Pickell

    2014-07-01

    Full Text Available The accelerated development of energy resources around the world has substantially increased forest change related to oil and gas activities. In some cases, oil and gas activities are the primary catalyst of land-use change in forested landscapes. We discuss the challenges associated with characterizing ecological change related to energy resource development using North America as an exemplar. We synthesize the major impacts of energy development to forested ecosystems and offer new perspectives on how to detect and monitor anthropogenic disturbance during the Anthropocene. The disturbance of North American forests for energy development has resulted in persistent linear corridors, suppression of historical disturbance regimes, novel ecosystems, and the eradication of ecological memory. Characterizing anthropogenic disturbances using conventional patch-based disturbance measures will tend to underestimate the ecological impacts of energy development. Suitable indicators of anthropogenic impacts in forests should be derived from the integration of multi-scalar Earth observations. Relating these indicators to ecosystem condition will be a capstone in the progress toward monitoring forest change in landscapes undergoing rapid energy development.

  4. Exploring Energy Landscapes

    Science.gov (United States)

    Wales, David J.

    2018-04-01

    Recent advances in the potential energy landscapes approach are highlighted, including both theoretical and computational contributions. Treating the high dimensionality of molecular and condensed matter systems of contemporary interest is important for understanding how emergent properties are encoded in the landscape and for calculating these properties while faithfully representing barriers between different morphologies. The pathways characterized in full dimensionality, which are used to construct kinetic transition networks, may prove useful in guiding such calculations. The energy landscape perspective has also produced new procedures for structure prediction and analysis of thermodynamic properties. Basin-hopping global optimization, with alternative acceptance criteria and generalizations to multiple metric spaces, has been used to treat systems ranging from biomolecules to nanoalloy clusters and condensed matter. This review also illustrates how all this methodology, developed in the context of chemical physics, can be transferred to landscapes defined by cost functions associated with machine learning.

  5. Energy landscape Allgaeu; Energielandschaft Allgaeu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-04-01

    In tandems with questions on the energy policy turnaround, the topics cultural landscape history, morphology, actual land use, tourism, settlement development or infrastructure are summarized in regional concepts and designs to a consistent landscape. Thus, a true integration of renewable energies in the landscape enhances existing or creates completely new landscape qualities. Energy supply shall be understood as a component of the every day life world. The energy supply shall not be hidden any more, but it rather should be communicated as the brand 'Allgaeu'.

  6. Energy landscapes in a crowded world

    NARCIS (Netherlands)

    Pasqualetti, Martin; Stremke, Sven

    2018-01-01

    One of the main drivers of landscape transformation has been our demand for energy. We refer to the results of such transformations as "energy landscapes". This paper examines the definition of energy landscapes within a conceptual framework, proposes a classification of energy landscapes, and

  7. Energy Landscape of Social Balance

    Science.gov (United States)

    Marvel, Seth A.; Strogatz, Steven H.; Kleinberg, Jon M.

    2009-11-01

    We model a close-knit community of friends and enemies as a fully connected network with positive and negative signs on its edges. Theories from social psychology suggest that certain sign patterns are more stable than others. This notion of social “balance” allows us to define an energy landscape for such networks. Its structure is complex: numerical experiments reveal a landscape dimpled with local minima of widely varying energy levels. We derive rigorous bounds on the energies of these local minima and prove that they have a modular structure that can be used to classify them.

  8. Energy landscape of social balance.

    Science.gov (United States)

    Marvel, Seth A; Strogatz, Steven H; Kleinberg, Jon M

    2009-11-06

    We model a close-knit community of friends and enemies as a fully connected network with positive and negative signs on its edges. Theories from social psychology suggest that certain sign patterns are more stable than others. This notion of social "balance" allows us to define an energy landscape for such networks. Its structure is complex: numerical experiments reveal a landscape dimpled with local minima of widely varying energy levels. We derive rigorous bounds on the energies of these local minima and prove that they have a modular structure that can be used to classify them.

  9. Energy landscapes shape animal movement ecology.

    Science.gov (United States)

    Shepard, Emily L C; Wilson, Rory P; Rees, W Gareth; Grundy, Edward; Lambertucci, Sergio A; Vosper, Simon B

    2013-09-01

    The metabolic costs of animal movement have been studied extensively under laboratory conditions, although frequently these are a poor approximation of the costs of operating in the natural, heterogeneous environment. Construction of "energy landscapes," which relate animal locality to the cost of transport, can clarify whether, to what extent, and how movement properties are attributable to environmental heterogeneity. Although behavioral responses to aspects of the energy landscape are well documented in some fields (notably, the selection of tailwinds by aerial migrants) and scales (typically large), the principles of the energy landscape extend across habitat types and spatial scales. We provide a brief synthesis of the mechanisms by which environmentally driven changes in the cost of transport can modulate the behavioral ecology of animal movement in different media, develop example cost functions for movement in heterogeneous environments, present methods for visualizing these energy landscapes, and derive specific predictions of expected outcomes from individual- to population- and species-level processes. Animals modulate a suite of movement parameters (e.g., route, speed, timing of movement, and tortuosity) in relation to the energy landscape, with the nature of their response being related to the energy savings available. Overall, variation in movement costs influences the quality of habitat patches and causes nonrandom movement of individuals between them. This can provide spatial and/or temporal structure to a range of population- and species-level processes, ultimately including gene flow. Advances in animal-attached technology and geographic information systems are opening up new avenues for measuring and mapping energy landscapes that are likely to provide new insight into their influence in animal ecology.

  10. Energy transition: towards landscape devastation?

    International Nuclear Information System (INIS)

    Posokhow, Andre

    2013-09-01

    The author criticizes some aspects of the content of the French policy for energy transition. He states that the objective of reduction of greenhouse emissions is unreachable and moreover useless when China keeps on opening new coal-fired power stations. He states that temperatures do not increase any longer and that it is not sure that CO 2 emissions are responsible for past increases. He outlines that the power of wind turbines is only a quarter of their theoretical one, that replacing nuclear energy by wind energy would require the installation of 33.000 wind turbines. He states that objectives of energy saving are not credible, and that the energy mix predictions are fuzzy. He outlines contradictions about the nuclear power station life duration, states that the installation of 210 wind turbines per district would devastate the French landscape

  11. Competing Wind Energy Discourses, Contested Landscapes

    Directory of Open Access Journals (Sweden)

    Antje Otto

    2014-10-01

    Full Text Available The impairment of landscapes is a concern constantly raised against wind energy developments in Germany as in other countries. Often, landscapes or landscape types are treated in the literature as essentialist or at least as uncontested categories. We analyse two examples of local controversies about wind energy, in which “landscape” is employed by supporters and opponents alike, from a poststructuralist and discourse theoretical angle. The aim is to identify and compare landscape constructs produced in the micro discourses of wind energy objectors and proponents at local level (a within each case, (b between the two cases and (c with landscape constructs that were previously found in macro discourses. One major finding is that several different landscapes can exist at one and the same place. Furthermore there seems to be a relatively stable set of competing landscape concepts which is reproduced in specific controversies. The paper concludes by highlighting practical consequences and by identifying promising avenues of further research.

  12. Sustainable energy landscapes : designing, planning, and development

    NARCIS (Netherlands)

    Stremke, S.; Dobbelsteen, van den A.

    2013-01-01

    In the near future the appearance and spatial organization of urban and rural landscapes will be strongly influenced by the generation of renewable energy. One of the critical tasks will be the re-integration of these sustainable energy landscapes into the existing environment—which people value and

  13. Energy forest cultivation and the landscape

    International Nuclear Information System (INIS)

    Bell, Simon

    1994-01-01

    The place of energy forestry in the landscape is discussed, principally with reference to Britain and Europe. The importance of design as a means of ensuring an attractive appearance, while meeting functional and economic requirements, is stressed. Simple design principles which help energy forests, mainly short rotation arable coppice, to fit into the landscape are suggested. (author)

  14. Energy landscapes, landscapes in transition. How to prepare one's territory to the deployment of renewable energies

    International Nuclear Information System (INIS)

    2014-06-01

    This guide first defines the notion of landscape, outlines what is at stake with decentralised renewable energy production, and presents the various important aspects of a deployment of decentralised renewable energy production. It describes how to define a general strategy for the integration of this production: relationship between energy and landscape, project implementation, partnership, tools to anticipate changes, evolution of social demand through dialogue, conciliation of technical and financial constraints and landscape ambitions. An appendix proposes legal and bibliographical information: legal relationships between energy and landscape, possible arrangements for PLU (plan local d'urbanisme, local urban plan) and SCOT (schema de coherence territoriale, territorial planning document)

  15. The renewable energies: the landscape

    International Nuclear Information System (INIS)

    Acket, C.; Bacher, P.

    2005-03-01

    If one takes into account the hydroelectric power, the France is the first european country in the renewable energies domain. The position is also honorable concerning the wood energy. Meanwhile, for the solar and wind energy, France is late. To discuss this debate, the authors bring together today data on the renewable energies, offer some proposals for the next 50 years taking into account the reduction of greenhouse gases emission for 2050. (A.L.B.)

  16. Towards an Integrated Energy Landscape

    NARCIS (Netherlands)

    de Boer, Jessica; Zuidema, Christian

    2013-01-01

    In this paper, we show that an area-based approach to fostering the ‘energy transition’ has potential to help spatial planners and policy makers understand how innovative sustainable energy initiatives may contribute to the energy transition. On the basis of a desk study of research reports on

  17. Orientational dynamics and energy landscape features of ...

    Indian Academy of Sciences (India)

    WINTEC

    Energy landscape analysis of inherent structures shows that the ... to be strikingly similar to that of supercooled molecular liquids5 .... where eiα is the α-component (in the space-fixed frame) of the unit orientation vector ei along the principal symmetry axis of the ith ellipsoid of revo- ..... understand pathways of protein folding.

  18. Urban landscape architecture design under the view of sustainable development

    Science.gov (United States)

    Chen, WeiLin

    2017-08-01

    The concept of sustainable development in modern city landscape design advocates landscape architecture, which is the main development direction in the field of landscape design. They are also effective measures to promote the sustainable development of city garden. Based on this, combined with the connotation of sustainable development and sustainable design, this paper analyzes and discusses the design of urban landscape under the concept of sustainable development.

  19. Exploring the conformational energy landscape of proteins

    Energy Technology Data Exchange (ETDEWEB)

    Nienhaus, G.U. [Univ. of Illinois, Urbana, IL (United States)]|[Universitaet Ulm (Germany); Mueller, J.D.; McMahon, B.H. [Univ. of Illinois, Urbana, IL (United States)] [and others

    1997-04-01

    Proteins possess a complex energy landscape with a large number of local minima called conformational substates that are arranged in a hierarchical fashion. Here we discuss experiments aimed at the elucidation of the energy landscape in carbonmonoxy myoglobin (MbCO). In the highest tier of the hierarchy, a few taxonomic substates exist. Because of their small number, these substates are accessible to detailed structural investigations. Spectroscopic experiments are discussed that elucidate the role of protonations of amino acid side chains in creating the substates. The lower tiers of the hierarchy contain a large number of statistical substates. Substate interconversions are observed in the entire temperature range from below 1 K up to the denaturation temperature, indicating a wide spectrum of energy barriers that separate the substates.

  20. The changing geopolitical landscape of energy

    International Nuclear Information System (INIS)

    Lesourne, Jacques

    2011-08-01

    The author first discusses the impact of the financial crisis of 2008, and of the large-scale exploitation of shale gases in the USA on energy policies and on the geopolitical landscape of energy. Then, he discusses the influence that events which occurred in 2011 had on these issues: firstly, the Copenhagen and Cancun Conferences, secondly, the Fukushima accident, thirdly, the nuclear phasing-out by Germany and incidentally by Italy, and fourthly, the Arab Spring. In the next parts, he comments the consequences for the European energy policy, and the perspectives for the struggle against climate change

  1. Energy-landscape Nexus: Advancing a conceptual framework for the design of sustainable energy landscapes

    NARCIS (Netherlands)

    Stremke, S.

    2013-01-01

    For some time now, the concept of “energy landscape” is discussed in academia while more and more practising landscape architects contribute to the siting, designing, and assessment of renewable energy technologies (see Stremke et al. 2012). Yet, there remains some ambiguity what exactly is meant

  2. Fairy circle landscapes under the sea

    KAUST Repository

    Ruiz-Reynés, Daniel

    2017-08-03

    Short-scale interactions yield large-scale vegetation patterns that, in turn, shape ecosystem function across landscapes. Fairy circles, which are circular patches bare of vegetation within otherwise continuous landscapes, are characteristic features of semiarid grasslands. We report the occurrence of submarine fairy circle seascapes in seagrass meadows and propose a simple model that reproduces the diversity of seascapes observed in these ecosystems as emerging from plant interactions within the meadow. These seascapes include two extreme cases, a continuous meadow and a bare landscape, along with intermediate states that range from the occurrence of persistent but isolated fairy circles, or solitons, to seascapes with multiple fairy circles, banded vegetation, and

  3. Fairy circle landscapes under the sea

    KAUST Repository

    Ruiz-Reyné s, Daniel; Gomila, Damià ; Sintes, Tomà s; Herná ndez-Garcí a, Emilio; Marbà , Nú ria; Duarte, Carlos M.

    2017-01-01

    Short-scale interactions yield large-scale vegetation patterns that, in turn, shape ecosystem function across landscapes. Fairy circles, which are circular patches bare of vegetation within otherwise continuous landscapes, are characteristic features of semiarid grasslands. We report the occurrence of submarine fairy circle seascapes in seagrass meadows and propose a simple model that reproduces the diversity of seascapes observed in these ecosystems as emerging from plant interactions within the meadow. These seascapes include two extreme cases, a continuous meadow and a bare landscape, along with intermediate states that range from the occurrence of persistent but isolated fairy circles, or solitons, to seascapes with multiple fairy circles, banded vegetation, and

  4. New interaction paths in the energy landscape: the role of local energy initiatives

    OpenAIRE

    de Boer, Jessica; Zuidema, Christian; Gugerell, Katharina

    2018-01-01

    Energy transition is an encompassing process which not only involves the energy system but also the landscape in which the energy system is embedded. Renewable energy is triggering new interactions with local landscapes in physical, socio-economic and institutional senses. We capture these interactions using the energy landscape concept, which expresses the interdependence of the energy system with the landscape. We aim to understand whether and how local energy initiatives facilitate this in...

  5. Experimental evidence of reorganizing landscape under changing climatic forcing

    Science.gov (United States)

    Singh, A.; Tejedor, A.; Zaliapin, I. V.; Reinhardt, L.; Foufoula-Georgiou, E.

    2015-12-01

    Quantification of the dynamics of landscape reorganization under changing climatic forcing is important to understand geomorphic transport laws under transient conditions, assess response of landscapes to external perturbations for future predictive modeling, and for interpreting past climate from stratigraphic record. For such an analysis, however, real landscape observations are limited. To this end, a series of controlled laboratory experiments on evolving landscape were conducted at the St. Anthony Falls laboratory at the University of Minnesota. High resolution elevation data at a temporal resolution of 5 mins and spatial resolution of 0.5 mm were collected as the landscape approached steady state (constant uplift and precipitation rate) and in the transient state (under the same uplift and 5 times precipitation rate). Our results reveal rapid topographic re-organization under a five-fold increase in precipitation with the fluvial regime encroaching into the previously debris dominated regime, widening and aggradation of channels and valleys, and accelerated erosion happening at hillslope scales. To better understand the initiation of the observed reorganization, we perform a connectivity and clustering analysis of the erosional and depositional events, showing strikingly different spatial patterns on landscape evolution under steady-state (SS) and transient-state (TS), even when the time under SS is renormalized to match the total volume of eroded and deposited sediment in TS. Our results suggest a regime shift in the behavior of transport processes on the landscape at the intermediate scales i.e., from supply-limited to transport-limited.

  6. Improved free-energy landscape reconstruction of bacteriorhodopsin highlights local variations in unfolding energy.

    Science.gov (United States)

    Heenan, Patrick R; Yu, Hao; Siewny, Matthew G W; Perkins, Thomas T

    2018-03-28

    Precisely quantifying the energetics that drive the folding of membrane proteins into a lipid bilayer remains challenging. More than 15 years ago, atomic force microscopy (AFM) emerged as a powerful tool to mechanically extract individual membrane proteins from a lipid bilayer. Concurrently, fluctuation theorems, such as the Jarzynski equality, were applied to deduce equilibrium free energies (ΔG 0 ) from non-equilibrium single-molecule force spectroscopy records. The combination of these two advances in single-molecule studies deduced the free-energy of the model membrane protein bacteriorhodopsin in its native lipid bilayer. To elucidate this free-energy landscape at a higher resolution, we applied two recent developments. First, as an input to the reconstruction, we used force-extension curves acquired with a 100-fold higher time resolution and 10-fold higher force precision than traditional AFM studies of membrane proteins. Next, by using an inverse Weierstrass transform and the Jarzynski equality, we removed the free energy associated with the force probe and determined the molecular free-energy landscape of the molecule under study, bacteriorhodopsin. The resulting landscape yielded an average unfolding free energy per amino acid (aa) of 1.0 ± 0.1 kcal/mol, in agreement with past single-molecule studies. Moreover, on a smaller spatial scale, this high-resolution landscape also agreed with an equilibrium measurement of a particular three-aa transition in bacteriorhodopsin that yielded 2.7 kcal/mol/aa, an unexpectedly high value. Hence, while average unfolding ΔG 0 per aa is a useful metric, the derived high-resolution landscape details significant local variation from the mean. More generally, we demonstrated that, as anticipated, the inverse Weierstrass transform is an efficient means to reconstruct free-energy landscapes from AFM data.

  7. Potential energy landscapes of elemental and heterogeneous chalcogen clusters

    International Nuclear Information System (INIS)

    Mauro, John C.; Loucks, Roger J.; Balakrishnan, Jitendra; Varshneya, Arun K.

    2006-01-01

    We describe the potential energy landscapes of elemental S 8 , Se 8 , and Te 8 clusters using disconnectivity graphs. Inherent structures include both ring and chain configurations, with rings especially dominant in Se 8 . We also map the potential energy landscapes of heterogeneous Se n (S,Te) 8-n clusters, which offer insights into the structure of heterogeneous chalcogen glasses

  8. Mitigation/Adaptation: landscape architecture meets sustainable energy transition

    NARCIS (Netherlands)

    Stremke, S.

    2009-01-01

    Mitigation of climate change and adaptation to renewable energy sources are among the emerging fields of activity in landscape architecture. If landscape architects recognize the need for sustainable development on the basis of renewable energy sources, then how can we contribute to sustainable and

  9. Using Landscape metrics to analyze the landscape evolution under land abandonment

    Science.gov (United States)

    Pelorosso, Raffaele; Della Chiesa, Stefano; Gobattoni, Federica; Leone, Antonio

    2010-05-01

    The human actions and the human-linked land use changes are the main responsible of the present landscapes and vegetation patterns (Antrop, 2005; Pelorosso et al., 2009). Hence, revised concept of potential natural vegetation has been developed in landscape ecology. In fact, it cannot more be considered as the optimum for a certain landscape, but only as a general indication never widely reached. In particular Ingegnoli and Pignatti (2007) introduced the concept of fittest vegetation as "the most suitable or suited vegetation for the specific climate and geomorphic conditions, in a limited period of time and in a certain defined place with a particular range of incorporable disturbances (including man's) under natural or not natural conditions". Anthropic exploitation of land and its resources to obtain goods and services (Willemen et al, 2008) can be considered therefore the main cause of landscape change as an integrant part of nature, not external. The abandon of the land by farmers or other users it is one of the more felt problems for the marginal territories of Mediterranean basin. It is therefore caused by socio-economic changes of last decades and cause several impact on biodiversity (Geri et al. 2010) and hydro-geological assessment. A mountain landscape has however the capacity to provide goods like timber and services like aesthetic pleasure or regulation of water system. The necessity of a conservation strategy and the development of sustainable socio-economic management plan play a very important role in governing land and quality of life for people and ecosystems also for marginal territory. After a land abandonment, soil conditions and several climatic and orographic characteristic plus human disturbance affect the length of time required by secondary succession, throwing the establishment of vegetation with different association, structure and composition until a (stable or meta-stable) equilibrium is reached (Ingegnoli and Pignatti, 2007). In this

  10. Energy landscapes in proteins and glasses

    Science.gov (United States)

    Singh, Sadanand

    Soft materials are ubiquitous in our day-to-day life. They include liquids, colloids, polymers, foams, gels, granular systems, and a number of biological materials. While these materials exhibit a wide range of textures and morphologies, many of their properties have common physicochemical origins. A better understanding of such origins would lead to rational design and engineering of functional soft materials. A common feature of soft materials is the wide range of time and length scales that characterizes their behavior. Unfortunately, available molecular modeling techniques are often ill-suited for problems that exhibit multiple length and time scales. In this thesis, we introduce and implement new simulation methods that have enabled molecular-level studies of soft materials. Such methods permit calculation of free energy surfaces, and we demonstrate their usefulness in the context of proteins and glasses, both of which exhibit rugged free energy landscapes. A first application is concerned with human amylin, a protein associated with Type II diabetes. Patients with Type II diabetes exhibit fibrillar deposits of human amylin protein in the pancreas. By applying the advanced simulation methods and algorithms developed in this work, we investigate the structure and folding dynamics of human amylin. A detailed mechanism is presented at the atomic-level for the nucleation and aggregation of the peptide. The results presented in this work could help in development of therapeutic strategies for Type II diabetes. The second application is concerned with the study of vapor-deposited ultrastable glasses. These stable glasses have, far below the conventional glass transition temperature, the properties expected from the equilibrium supercooled liquid state. Our results indicate that optimal stability is attained when deposition occurs near the Kauzmann temperature. We also show that the extraordinary stability of model vapor deposited glasses is associated with distinct

  11. How animals distribute themselves in space: variable energy landscapes

    OpenAIRE

    Masello, Juan F.; Kato, Akiko; Sommerfeld, Julia; Mattern, Thomas; Quillfeldt, Petra

    2017-01-01

    Background Foraging efficiency determines whether animals will be able to raise healthy broods, maintain their own condition, avoid predators and ultimately increase their fitness. Using accelerometers and GPS loggers, features of the habitat and the way animals deal with variable conditions can be translated into energetic costs of movement, which, in turn, can be translated to energy landscapes.We investigated energy landscapes in Gentoo Penguins Pygoscelis papua from two colonies at New Is...

  12. Ideal glass transitions in thin films: An energy landscape perspective

    OpenAIRE

    Truskett, Thomas M.; Ganesan, Venkat

    2003-01-01

    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 temperatu...

  13. Ideal glass transitions in thin films: An energy landscape perspective

    Science.gov (United States)

    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.

  14. The effects of landscaping on the residential cooling energy

    Science.gov (United States)

    Misni, A.

    2018-02-01

    This paper examines the effectiveness of landscaping on the air-conditioning energy saving of houses in a tropical environment. This case study involved looking at the construction and landscaping of three single-family houses in three sections of Shah Alam, Selangor, Malaysia. The houses ranged in age from 5 to 30 years old, which provided different examples of construction and maturity levels of the surrounding landscaping. Landscaping affects the thermal performance as well as on the air-conditioning energy of houses, in how it provides shade, channels wind, and evapotranspiration. While the construction of the three houses was similar, they were different in size and design, including their landscape design. These houses were chosen because they are representative of single-family tropical houses and landscaping styles in Malaysia since 30 years ago. Three houses were chosen; the 30-year-old house, the 10-year-old house, and the 5-year-old house. In a tropical country, landscaping is used to reduce the effects of the hot and humid climate. The houses spent 15-45% of the electricity cost on cooling. These results were influenced by human factors and the surrounding landscaping. Every type of vegetation, such as trees, grass, shrubs, groundcover, and turf, contributes to reducing air temperatures near the house and providing evaporative cooling.

  15. Random versus Deterministic Descent in RNA Energy Landscape Analysis

    Directory of Open Access Journals (Sweden)

    Luke Day

    2016-01-01

    Full Text Available Identifying sets of metastable conformations is a major research topic in RNA energy landscape analysis, and recently several methods have been proposed for finding local minima in landscapes spawned by RNA secondary structures. An important and time-critical component of such methods is steepest, or gradient, descent in attraction basins of local minima. We analyse the speed-up achievable by randomised descent in attraction basins in the context of large sample sets where the size has an order of magnitude in the region of ~106. While the gain for each individual sample might be marginal, the overall run-time improvement can be significant. Moreover, for the two nongradient methods we analysed for partial energy landscapes induced by ten different RNA sequences, we obtained that the number of observed local minima is on average larger by 7.3% and 3.5%, respectively. The run-time improvement is approximately 16.6% and 6.8% on average over the ten partial energy landscapes. For the large sample size we selected for descent procedures, the coverage of local minima is very high up to energy values of the region where the samples were randomly selected from the partial energy landscapes; that is, the difference to the total set of local minima is mainly due to the upper area of the energy landscapes.

  16. Potential energy landscape of TIP4P/2005 water

    Science.gov (United States)

    Handle, Philip H.; Sciortino, Francesco

    2018-04-01

    We report a numerical study of the statistical properties of the potential energy landscape of TIP4P/2005, one of the most accurate rigid water models. We show that, in the region where equilibrated configurations can be generated, a Gaussian landscape description is able to properly describe the model properties. We also find that the volume dependence of the landscape properties is consistent with the existence of a locus of density maxima in the phase diagram. The landscape-based equation of state accurately reproduces the TIP4P/2005 pressure-vs-volume curves, providing a sound extrapolation of the free-energy at low T. A positive-pressure liquid-liquid critical point is predicted by the resulting free-energy.

  17. New interaction paths in the energy landscape: the role of local energy initiatives

    NARCIS (Netherlands)

    de Boer, Jessica; Zuidema, Christian; Gugerell, Katharina

    2018-01-01

    Energy transition is an encompassing process which not only involves the energy system but also the landscape in which the energy system is embedded. Renewable energy is triggering new interactions with local landscapes in physical, socio-economic and institutional senses. We capture these

  18. Energy landscapes for a machine learning application to series data

    Energy Technology Data Exchange (ETDEWEB)

    Ballard, Andrew J.; Stevenson, Jacob D.; Das, Ritankar; Wales, David J., E-mail: dw34@cam.ac.uk [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2016-03-28

    Methods developed to explore and characterise potential energy landscapes are applied to the corresponding landscapes obtained from optimisation of a cost function in machine learning. We consider neural network predictions for the outcome of local geometry optimisation in a triatomic cluster, where four distinct local minima exist. The accuracy of the predictions is compared for fits using data from single and multiple points in the series of atomic configurations resulting from local geometry optimisation and for alternative neural networks. The machine learning solution landscapes are visualised using disconnectivity graphs, and signatures in the effective heat capacity are analysed in terms of distributions of local minima and their properties.

  19. Energy landscapes for a machine learning application to series data

    International Nuclear Information System (INIS)

    Ballard, Andrew J.; Stevenson, Jacob D.; Das, Ritankar; Wales, David J.

    2016-01-01

    Methods developed to explore and characterise potential energy landscapes are applied to the corresponding landscapes obtained from optimisation of a cost function in machine learning. We consider neural network predictions for the outcome of local geometry optimisation in a triatomic cluster, where four distinct local minima exist. The accuracy of the predictions is compared for fits using data from single and multiple points in the series of atomic configurations resulting from local geometry optimisation and for alternative neural networks. The machine learning solution landscapes are visualised using disconnectivity graphs, and signatures in the effective heat capacity are analysed in terms of distributions of local minima and their properties.

  20. Inflation in random landscapes with two energy scales

    Science.gov (United States)

    Blanco-Pillado, Jose J.; Vilenkin, Alexander; Yamada, Masaki

    2018-02-01

    We investigate inflation in a multi-dimensional landscape with a hierarchy of energy scales, motivated by the string theory, where the energy scale of Kahler moduli is usually assumed to be much lower than that of complex structure moduli and dilaton field. We argue that in such a landscape, the dynamics of slow-roll inflation is governed by the low-energy potential, while the initial condition for inflation are determined by tunneling through high-energy barriers. We then use the scale factor cutoff measure to calculate the probability distribution for the number of inflationary e-folds and the amplitude of density fluctuations Q, assuming that the low-energy landscape is described by a random Gaussian potential with a correlation length much smaller than M pl. We find that the distribution for Q has a unique shape and a preferred domain, which depends on the parameters of the low-energy landscape. We discuss some observational implications of this distribution and the constraints it imposes on the landscape parameters.

  1. Chemical Denaturants Smoothen Ruggedness on the Free Energy Landscape of Protein Folding.

    Science.gov (United States)

    Malhotra, Pooja; Jethva, Prashant N; Udgaonkar, Jayant B

    2017-08-08

    To characterize experimentally the ruggedness of the free energy landscape of protein folding is challenging, because the distributed small free energy barriers are usually dominated by one, or a few, large activation free energy barriers. This study delineates changes in the roughness of the free energy landscape by making use of the observation that a decrease in ruggedness is accompanied invariably by an increase in folding cooperativity. Hydrogen exchange (HX) coupled to mass spectrometry was used to detect transient sampling of local energy minima and the global unfolded state on the free energy landscape of the small protein single-chain monellin. Under native conditions, local noncooperative openings result in interconversions between Boltzmann-distributed intermediate states, populated on an extremely rugged "uphill" energy landscape. The cooperativity of these interconversions was increased by selectively destabilizing the native state via mutations, and further by the addition of a chemical denaturant. The perturbation of stability alone resulted in seven backbone amide sites exchanging cooperatively. The size of the cooperatively exchanging and/or unfolding unit did not depend on the extent of protein destabilization. Only upon the addition of a denaturant to a destabilized mutant variant did seven additional backbone amide sites exchange cooperatively. Segmentwise analysis of the HX kinetics of the mutant variants further confirmed that the observed increase in cooperativity was due to the smoothing of the ruggedness of the free energy landscape of folding of the protein by the chemical denaturant.

  2. Integrated visions (part II): Envisioning Sustainable Energy Landscapes

    NARCIS (Netherlands)

    Stremke, S.; Koh, J.; Neven, C.T.; Boekel, A.

    2012-01-01

    ABSTRACT Climate change and resource depletion are driving the transition to renewable energy sources. Both the supply of renewables and the demand for energy are influenced by the physical environment and therefore concern spatial planning and landscape design. Envisioning the longterm development

  3. Inflation, Dark Matter, and Dark Energy in the String Landscape

    OpenAIRE

    Liddle, Andrew R; Ureña-López, L Arturo

    2006-01-01

    We consider the conditions needed to unify the description of dark matter, dark energy and inflation in the context of the string landscape. We find that incomplete decay of the inflaton field gives the possibility that a single field is responsible for all three phenomena. By contrast, unifying dark matter and dark energy into a single field, separate from the inflaton, appears rather difficult.

  4. Energy Landscapes for the Self-Assembly of Supramolecular Polyhedra

    Science.gov (United States)

    Russell, Emily R.; Menon, Govind

    2016-06-01

    We develop a mathematical model for the energy landscape of polyhedral supramolecular cages recently synthesized by self-assembly (Sun et al. in Science 328:1144-1147, 2010). Our model includes two essential features of the experiment: (1) geometry of the organic ligands and metallic ions; and (2) combinatorics. The molecular geometry is used to introduce an energy that favors square-planar vertices (modeling {Pd}^{2+} ions) and bent edges with one of two preferred opening angles (modeling boomerang-shaped ligands of two types). The combinatorics of the model involve two-colorings of edges of polyhedra with four-valent vertices. The set of such two-colorings, quotiented by the octahedral symmetry group, has a natural graph structure and is called the combinatorial configuration space. The energy landscape of our model is the energy of each state in the combinatorial configuration space. The challenge in the computation of the energy landscape is a combinatorial explosion in the number of two-colorings of edges. We describe sampling methods based on the symmetries of the configurations and connectivity of the configuration graph. When the two preferred opening angles encompass the geometrically ideal angle, the energy landscape exhibits a very low-energy minimum for the most symmetric configuration at equal mixing of the two angles, even when the average opening angle does not match the ideal angle.

  5. Discrete kinetic models from funneled energy landscape simulations.

    Directory of Open Access Journals (Sweden)

    Nicholas P Schafer

    Full Text Available A general method for facilitating the interpretation of computer simulations of protein folding with minimally frustrated energy landscapes is detailed and applied to a designed ankyrin repeat protein (4ANK. In the method, groups of residues are assigned to foldons and these foldons are used to map the conformational space of the protein onto a set of discrete macrobasins. The free energies of the individual macrobasins are then calculated, informing practical kinetic analysis. Two simple assumptions about the universality of the rate for downhill transitions between macrobasins and the natural local connectivity between macrobasins lead to a scheme for predicting overall folding and unfolding rates, generating chevron plots under varying thermodynamic conditions, and inferring dominant kinetic folding pathways. To illustrate the approach, free energies of macrobasins were calculated from biased simulations of a non-additive structure-based model using two structurally motivated foldon definitions at the full and half ankyrin repeat resolutions. The calculated chevrons have features consistent with those measured in stopped flow chemical denaturation experiments. The dominant inferred folding pathway has an "inside-out", nucleation-propagation like character.

  6. Learning free energy landscapes using artificial neural networks.

    Science.gov (United States)

    Sidky, Hythem; Whitmer, Jonathan K

    2018-03-14

    Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to varied free energy landscapes. Further, user-specified parameters are in general non-intuitive yet significantly affect the convergence rate and accuracy of the free energy estimate. Here we propose a novel method, wherein artificial neural networks (ANNs) are used to develop an adaptive biasing potential which learns free energy landscapes. We demonstrate that this method is capable of rapidly adapting to complex free energy landscapes and is not prone to boundary or oscillation problems. The method is made robust to hyperparameters and overfitting through Bayesian regularization which penalizes network weights and auto-regulates the number of effective parameters in the network. ANN sampling represents a promising innovative approach which can resolve complex free energy landscapes in less time than conventional approaches while requiring minimal user input.

  7. Learning free energy landscapes using artificial neural networks

    Science.gov (United States)

    Sidky, Hythem; Whitmer, Jonathan K.

    2018-03-01

    Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to varied free energy landscapes. Further, user-specified parameters are in general non-intuitive yet significantly affect the convergence rate and accuracy of the free energy estimate. Here we propose a novel method, wherein artificial neural networks (ANNs) are used to develop an adaptive biasing potential which learns free energy landscapes. We demonstrate that this method is capable of rapidly adapting to complex free energy landscapes and is not prone to boundary or oscillation problems. The method is made robust to hyperparameters and overfitting through Bayesian regularization which penalizes network weights and auto-regulates the number of effective parameters in the network. ANN sampling represents a promising innovative approach which can resolve complex free energy landscapes in less time than conventional approaches while requiring minimal user input.

  8. The German energy landscape in 2015

    International Nuclear Information System (INIS)

    Lauer, Hartmut

    2016-01-01

    This article proposes a brief overview of the German energy sector: stagnation of primary energy consumption, shares of the different energy sources (renewable, coal, lignite, oil, gas, nuclear), shares of the different electric power production sources and their recent evolution. It evokes issues related to the objectives defined for energy transition, the high level of renewable energy production and the high level of power exports. It outlines that consumption must be reduced to reach the objectives defined for 2020. It notices a stagnation of the energy system de-carbonation, and comments the evolution of electricity prices

  9. Sustainable energy landscapes: The power of imagination

    NARCIS (Netherlands)

    Stremke, S.

    2012-01-01

    Resource depletion and climate change motivate a transition to sustainable energy systems that make effective use of renewable sources. Sustainable energy transition necessitates a transformation of large parts of the existing built environment and presents one of the great challenges of present-day

  10. Membranes: A Variety of Energy Landscapes for Many Transfer Opportunities.

    Science.gov (United States)

    Bacchin, Patrice

    2018-02-22

    A membrane can be represented by an energy landscape that solutes or colloids must cross. A model accounting for the momentum and the mass balances in the membrane energy landscape establishes a new way of writing for the Darcy law. The counter-pressure in the Darcy law is no longer written as the result of an osmotic pressure difference but rather as a function of colloid-membrane interactions. The ability of the model to describe the physics of the filtration is discussed in detail. This model is solved in a simplified energy landscape to derive analytical relationships that describe the selectivity and the counter-pressure from ab initio operating conditions. The model shows that the stiffness of the energy landscape has an impact on the process efficiency: a gradual increase in interactions (such as with hourglass pore shape) can reduce the separation energetic cost. It allows the introduction of a new paradigm to increase membrane efficiency: the accumulation that is inherent to the separation must be distributed across the membrane. Asymmetric interactions thus lead to direction-dependent transfer properties and the membrane exhibits diode behavior. These new transfer opportunities are discussed.

  11. Quantifying the topography of the intrinsic energy landscape of flexible biomolecular recognition

    Science.gov (United States)

    Chu, Xiakun; Gan, Linfeng; Wang, Erkang; Wang, Jin

    2013-01-01

    Biomolecular functions are determined by their interactions with other molecules. Biomolecular recognition is often flexible and associated with large conformational changes involving both binding and folding. However, the global and physical understanding for the process is still challenging. Here, we quantified the intrinsic energy landscapes of flexible biomolecular recognition in terms of binding–folding dynamics for 15 homodimers by exploring the underlying density of states, using a structure-based model both with and without considering energetic roughness. By quantifying three individual effective intrinsic energy landscapes (one for interfacial binding, two for monomeric folding), the association mechanisms for flexible recognition of 15 homodimers can be classified into two-state cooperative “coupled binding–folding” and three-state noncooperative “folding prior to binding” scenarios. We found that the association mechanism of flexible biomolecular recognition relies on the interplay between the underlying effective intrinsic binding and folding energy landscapes. By quantifying the whole global intrinsic binding–folding energy landscapes, we found strong correlations between the landscape topography measure Λ (dimensionless ratio of energy gap versus roughness modulated by the configurational entropy) and the ratio of the thermodynamic stable temperature versus trapping temperature, as well as between Λ and binding kinetics. Therefore, the global energy landscape topography determines the binding–folding thermodynamics and kinetics, crucial for the feasibility and efficiency of realizing biomolecular function. We also found “U-shape” temperature-dependent kinetic behavior and a dynamical cross-over temperature for dividing exponential and nonexponential kinetics for two-state homodimers. Our study provides a unique way to bridge the gap between theory and experiments. PMID:23754431

  12. Evaluating the landscape impact of renewable energy plants

    Science.gov (United States)

    Ioannidis, Romanos; Koutsoyiannis, Demetris

    2017-04-01

    Different types of renewable energy have been on an ongoing competition with each other. There has been a lot of research comparing the most common types of renewable energy plants in relation with their efficiency, cost and environmental impact. However, few papers so far have attempted to analyse their impact on landscape and there has never been in depth research on which type of renewable energy causes the least impact on the natural, cultural and aesthetic characteristics of a landscape. This seems to be a significant omission given the vast areas of land already covered with renewable energy plants and the worldwide plans for many more renewable energy projects in the future. Meanwhile, the low aesthetic quality of renewable energy plants has already been an obstacle to their further development, with several relevant examples from countries such as Spain and the Netherlands. There have even been cases where aesthetic degradation is the primary or even the single argument of the opposition to proposed plants. In any case, the aesthetic design and the integration of renewable energy plants into the landscape should really be important design parameters if we plan those projects to truly be sustainable and to be considered complete works of engineering. To initiate dialogue over those aspects of renewable energy, we provide a first comparison on hydro, solar and wind energy. To materialize this comparison, we use data from existing dams, photovoltaic and wind farms. Initially, the average area per MW covered by each type of energy plant is calculated and then evaluated qualitatively from a landscape-impact perspective. Although the area affected is comparable in these three cases, the analysis of the data suggests that dams offer a considerable amount of advantages compared to the other two types of plants. This conclusion arises from the fact that dams, whose basic impact to the landscape is the creation of an artificial lake, contribute much less to the

  13. Computational design of RNAs with complex energy landscapes.

    Science.gov (United States)

    Höner zu Siederdissen, Christian; Hammer, Stefan; Abfalter, Ingrid; Hofacker, Ivo L; Flamm, Christoph; Stadler, Peter F

    2013-12-01

    RNA has become an integral building material in synthetic biology. Dominated by their secondary structures, which can be computed efficiently, RNA molecules are amenable not only to in vitro and in vivo selection, but also to rational, computation-based design. While the inverse folding problem of constructing an RNA sequence with a prescribed ground-state structure has received considerable attention for nearly two decades, there have been few efforts to design RNAs that can switch between distinct prescribed conformations. We introduce a user-friendly tool for designing RNA sequences that fold into multiple target structures. The underlying algorithm makes use of a combination of graph coloring and heuristic local optimization to find sequences whose energy landscapes are dominated by the prescribed conformations. A flexible interface allows the specification of a wide range of design goals. We demonstrate that bi- and tri-stable "switches" can be designed easily with moderate computational effort for the vast majority of compatible combinations of desired target structures. RNAdesign is freely available under the GPL-v3 license. Copyright © 2013 Wiley Periodicals, Inc.

  14. Peptide Free Energy Landscapes Calibrated by Molecular Orbital Calculations

    OpenAIRE

    Ono, S.; Kuroda, M.; Higo, J.; Kamiya, N.; Nakajima, N.; Nakamura, H.

    2002-01-01

    Free energy landscapes of peptide conformations werecalibrated by ab initiomolecular orbital calculations, after enhancedconformational sampling using the multicanonical molecular dynamicssimulations. Three different potentials of mean force for an isolateddipeptide were individually obtained using the conventional force fields,AMBER parm94, AMBER parm96, and CHARMm22. Each potential ofmean force was calibrated based on the umbrella sampling algorithm fromthe adiabatic energy map that was cal...

  15. Free-energy landscape of a hyperstable RNA tetraloop.

    Science.gov (United States)

    Miner, Jacob C; Chen, Alan A; García, Angel E

    2016-06-14

    We report the characterization of the energy landscape and the folding/unfolding thermodynamics of a hyperstable RNA tetraloop obtained through high-performance molecular dynamics simulations at microsecond timescales. Sampling of the configurational landscape is conducted using temperature replica exchange molecular dynamics over three isochores at high, ambient, and negative pressures to determine the thermodynamic stability and the free-energy landscape of the tetraloop. The simulations reveal reversible folding/unfolding transitions of the tetraloop into the canonical A-RNA conformation and the presence of two alternative configurations, including a left-handed Z-RNA conformation and a compact purine Triplet. Increasing hydrostatic pressure shows a stabilizing effect on the A-RNA conformation and a destabilization of the left-handed Z-RNA. Our results provide a comprehensive description of the folded free-energy landscape of a hyperstable RNA tetraloop and highlight the significant advances of all-atom molecular dynamics in describing the unbiased folding of a simple RNA secondary structure motif.

  16. Physics landscape-fixed target energies

    International Nuclear Information System (INIS)

    Berger, E.L.

    1989-10-01

    An introductory review is presented of physics issues and opportunities at Fermilab fixed-target energies. Included are discussions of precision electroweak studies; deep inelastic lepton scattering; heavy quark production, spectroscopy, and decays; perturbative QCD; prompt photon production; massive lepton production; and spin dependence. 79 refs., 7 figs

  17. Energy landscape reveals that the budding yeast cell cycle is a robust and adaptive multi-stage process.

    Directory of Open Access Journals (Sweden)

    Cheng Lv

    2015-03-01

    Full Text Available Quantitatively understanding the robustness, adaptivity and efficiency of cell cycle dynamics under the influence of noise is a fundamental but difficult question to answer for most eukaryotic organisms. Using a simplified budding yeast cell cycle model perturbed by intrinsic noise, we systematically explore these issues from an energy landscape point of view by constructing an energy landscape for the considered system based on large deviation theory. Analysis shows that the cell cycle trajectory is sharply confined by the ambient energy barrier, and the landscape along this trajectory exhibits a generally flat shape. We explain the evolution of the system on this flat path by incorporating its non-gradient nature. Furthermore, we illustrate how this global landscape changes in response to external signals, observing a nice transformation of the landscapes as the excitable system approaches a limit cycle system when nutrients are sufficient, as well as the formation of additional energy wells when the DNA replication checkpoint is activated. By taking into account the finite volume effect, we find additional pits along the flat cycle path in the landscape associated with the checkpoint mechanism of the cell cycle. The difference between the landscapes induced by intrinsic and extrinsic noise is also discussed. In our opinion, this meticulous structure of the energy landscape for our simplified model is of general interest to other cell cycle dynamics, and the proposed methods can be applied to study similar biological systems.

  18. Connecting the kinetics and energy landscape of tRNA translocation on the ribosome.

    Directory of Open Access Journals (Sweden)

    Paul C Whitford

    Full Text Available Functional rearrangements in biomolecular assemblies result from diffusion across an underlying energy landscape. While bulk kinetic measurements rely on discrete state-like approximations to the energy landscape, single-molecule methods can project the free energy onto specific coordinates. With measures of the diffusion, one may establish a quantitative bridge between state-like kinetic measurements and the continuous energy landscape. We used an all-atom molecular dynamics simulation of the 70S ribosome (2.1 million atoms; 1.3 microseconds to provide this bridge for specific conformational events associated with the process of tRNA translocation. Starting from a pre-translocation configuration, we identified sets of residues that collectively undergo rotary rearrangements implicated in ribosome function. Estimates of the diffusion coefficients along these collective coordinates for translocation were then used to interconvert between experimental rates and measures of the energy landscape. This analysis, in conjunction with previously reported experimental rates of translocation, provides an upper-bound estimate of the free-energy barriers associated with translocation. While this analysis was performed for a particular kinetic scheme of translocation, the quantitative framework is general and may be applied to energetic and kinetic descriptions that include any number of intermediates and transition states.

  19. Energy landscapes of resting-state brain networks

    Directory of Open Access Journals (Sweden)

    Takamitsu eWatanabe

    2014-02-01

    Full Text Available During rest, the human brain performs essential functions such as memory maintenance, which are associated with resting-state brain networks (RSNs including the default-mode network (DMN and frontoparietal network (FPN. Previous studies based on spiking-neuron network models and their reduced models, as well as those based on imaging data, suggest that resting-state network activity can be captured as attractor dynamics, i.e., dynamics of the brain state toward an attractive state and transitions between different attractors. Here, we analyze the energy landscapes of the RSNs by applying the maximum entropy model, or equivalently the Ising spin model, to human RSN data. We use the previously estimated parameter values to define the energy landscape, and the disconnectivity graph method to estimate the number of local energy minima (equivalent to attractors in attractor dynamics, the basin size, and hierarchical relationships among the different local minima. In both of the DMN and FPN, low-energy local minima tended to have large basins. A majority of the network states belonged to a basin of one of a few local minima. Therefore, a small number of local minima constituted the backbone of each RSN. In the DMN, the energy landscape consisted of two groups of low-energy local minima that are separated by a relatively high energy barrier. Within each group, the activity patterns of the local minima were similar, and different minima were connected by relatively low energy barriers. In the FPN, all dominant energy were separated by relatively low energy barriers such that they formed a single coarse-grained global minimum. Our results indicate that multistable attractor dynamics may underlie the DMN, but not the FPN, and assist memory maintenance with different memory states.

  20. Comparing the Folding and Misfolding Energy Landscapes of Phosphoglycerate Kinase

    OpenAIRE

    Agocs, Gergely; Szabo, Bence T.; Koehler, Gottfried; Osvath, Szabolcs

    2012-01-01

    Partitioning of polypeptides between protein folding and amyloid formation is of outstanding pathophysiological importance. Using yeast phosphoglycerate kinase as model, here we identify the features of the energy landscape that decide the fate of the protein: folding or amyloidogenesis. Structure formation was initiated from the acid-unfolded state, and monitored by fluorescence from 10 ms to 20 days. Solvent conditions were gradually shifted between folding and amyloidogenesis, and the prop...

  1. Accelerated weight histogram method for exploring free energy landscapes

    Energy Technology Data Exchange (ETDEWEB)

    Lindahl, V.; Lidmar, J.; Hess, B. [Department of Theoretical Physics and Swedish e-Science Research Center, KTH Royal Institute of Technology, 10691 Stockholm (Sweden)

    2014-07-28

    Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies from these simulations remains a major challenge. Fully exploring the free energy landscape of, say, a biological macromolecule typically requires sampling large conformational changes and slow transitions. Often, the only feasible way to study such a system is to simulate it using an enhanced sampling method. The accelerated weight histogram (AWH) method is a new, efficient extended ensemble sampling technique which adaptively biases the simulation to promote exploration of the free energy landscape. The AWH method uses a probability weight histogram which allows for efficient free energy updates and results in an easy discretization procedure. A major advantage of the method is its general formulation, making it a powerful platform for developing further extensions and analyzing its relation to already existing methods. Here, we demonstrate its efficiency and general applicability by calculating the potential of mean force along a reaction coordinate for both a single dimension and multiple dimensions. We make use of a non-uniform, free energy dependent target distribution in reaction coordinate space so that computational efforts are not wasted on physically irrelevant regions. We present numerical results for molecular dynamics simulations of lithium acetate in solution and chignolin, a 10-residue long peptide that folds into a β-hairpin. We further present practical guidelines for setting up and running an AWH simulation.

  2. Polyomaviridae Assembly Polymorphism from an Energy Landscape Perspective

    Directory of Open Access Journals (Sweden)

    Karim M. ElSawy

    2008-01-01

    Full Text Available Polyomaviridae assemble in vitro into different aggregates depending on experimental conditions. We use an energy landscape approach using empirical energy calculations to quantify how the formation of these different aggregates depends on pH, the presence of bound calcium ions and disulfide linkages. Computations are carried out for SV40, a member of the Polyomaviridae family and are based on the binding free energy landscape of three distinct trimers of pentamers that correspond to the different bonding configurations between the capsid proteins observed in its crystal structure. Our computational analysis shows that the energetics of one of these environments is pivotal for the polymorphic assembly behaviour of SV40, whilst the binding energy landscapes of the other two environments are broadly funnel-shaped and thus contribute little to the formation of particles other than virus-like particles (VLP. We have quantified how the existence of bound calcium ions in the absence of disulfide linkages enhances the binding free energies of all three environments and hence, favours the assembly of VLPs. Moreover, estimation of the relative binding free energies of the three environments at pH 5 and pH 8 reveals that they are destabilized at pH 5 relative to pH 8. The extent of this destabilization is dependent on the presence of disulfide linkages and bound calcium ions and accounts for the experimentally observed polymorphic behaviour of VP1 proteins at pH 5. Interestingly, concurrent existence of bound calcium ions and disulfide linkages is found to be destabilizing and thus may disrupt the assembly of VLPs at pH 8.

  3. Spatial resilience of forested landscapes under climate change and management

    Science.gov (United States)

    Melissa S. Lucash; Robert M. Scheller; Eric J. Gustafson; Brian R. Sturtevant

    2017-01-01

    Context Resilience, the ability to recover from disturbance, has risen to the forefront of scientific policy, but is difficult to quantify, particularly in large, forested landscapes subject to disturbances, management, and climate change. Objectives Our objective was to determine which spatial drivers will control landscape...

  4. Characterizing structural transitions using localized free energy landscape analysis.

    Directory of Open Access Journals (Sweden)

    Nilesh K Banavali

    Full Text Available Structural changes in molecules are frequently observed during biological processes like replication, transcription and translation. These structural changes can usually be traced to specific distortions in the backbones of the macromolecules involved. Quantitative energetic characterization of such distortions can greatly advance the atomic-level understanding of the dynamic character of these biological processes.Molecular dynamics simulations combined with a variation of the Weighted Histogram Analysis Method for potential of mean force determination are applied to characterize localized structural changes for the test case of cytosine (underlined base flipping in a GTCAGCGCATGG DNA duplex. Free energy landscapes for backbone torsion and sugar pucker degrees of freedom in the DNA are used to understand their behavior in response to the base flipping perturbation. By simplifying the base flipping structural change into a two-state model, a free energy difference of upto 14 kcal/mol can be attributed to the flipped state relative to the stacked Watson-Crick base paired state. This two-state classification allows precise evaluation of the effect of base flipping on local backbone degrees of freedom.The calculated free energy landscapes of individual backbone and sugar degrees of freedom expectedly show the greatest change in the vicinity of the flipping base itself, but specific delocalized effects can be discerned upto four nucleotide positions away in both 5' and 3' directions. Free energy landscape analysis thus provides a quantitative method to pinpoint the determinants of structural change on the atomic scale and also delineate the extent of propagation of the perturbation along the molecule. In addition to nucleic acids, this methodology is anticipated to be useful for studying conformational changes in all macromolecules, including carbohydrates, lipids, and proteins.

  5. A varied subglacial landscape under Thwaites Glacier, West Antarctica

    Science.gov (United States)

    Christianson, K. A.; Holschuh, N.; Paden, J. D.; Sprick, J.; Peters, L. E.; Anandakrishnan, S.; Alley, R. B.

    2017-12-01

    Deglaciated landscapes, whether subaerial or submarine, are often host to a rich panoply of subglacial landforms, such as drumlims, crags, megascale glacial lineations, grounding-line wedges, deep meltwater channels, and more. These landforms are formed and shaped by interactions between the ice and underlying substrate, and thus have implications for the flow of the overlying ice. Robust interpretations of the relationship between the ice and its substrate based on subglacial landforms that remain after deglaciation have been inhibited by a dearth of high-resolution observations of currently glaciated subglacial landscapes, where ice flow speed is known and where subglacial conditions can be ascertained using geophysical methods. Past direct observations of landforms under currently fast-flowing ice have been limited to a few ice streams, where relatively homogeneous, thick dilatant till layers may favor formation of specific subglacial features, i.e., megascale glacial lineations and grounding-zone wedges. Here we present two detailed gridded subglacial topographies, obtained from ice-penetrating radar measurements, from Thwaites Glacier, West Antarctica, where ice flows over a highly variable bed (in both topography and model-inferred basal shear stress). One grid is located ˜170 km downstream from the ice divide where ice is moving ˜100 m/yr. Here the ice advects over a broad basin and then flows into a subglacial ridge (of several hundred meters amplitude) oriented orthogonally to flow. A deep canyon ( 400 m) that cuts through this ridge in roughly the ice-flow direction and relatively soft sediments on the downstream side of the basin (immediately upstream of the canyon) suggest that a large subglacial lake may have formed in this location and drained catastrophically, as has been hypothesized as the formation mechanism for the deep canyons observed on the Amundsen Sea continental shelf. Numerous multiscale glacial lineations are also observed in the

  6. Optimization of landscape services under uncoordinated management by multiple landowners.

    Science.gov (United States)

    Porto, Miguel; Correia, Otília; Beja, Pedro

    2014-01-01

    Landscapes are often patchworks of private properties, where composition and configuration patterns result from cumulative effects of the actions of multiple landowners. Securing the delivery of services in such multi-ownership landscapes is challenging, because it is difficult to assure tight compliance to spatially explicit management rules at the level of individual properties, which may hinder the conservation of critical landscape features. To deal with these constraints, a multi-objective simulation-optimization procedure was developed to select non-spatial management regimes that best meet landscape-level objectives, while accounting for uncoordinated and uncertain response of individual landowners to management rules. Optimization approximates the non-dominated Pareto frontier, combining a multi-objective genetic algorithm and a simulator that forecasts trends in landscape pattern as a function of management rules implemented annually by individual landowners. The procedure was demonstrated with a case study for the optimum scheduling of fuel treatments in cork oak forest landscapes, involving six objectives related to reducing management costs (1), reducing fire risk (3), and protecting biodiversity associated with mid- and late-successional understories (2). There was a trade-off between cost, fire risk and biodiversity objectives, that could be minimized by selecting management regimes involving ca. 60% of landowners clearing the understory at short intervals (around 5 years), and the remaining managing at long intervals (ca. 75 years) or not managing. The optimal management regimes produces a mosaic landscape dominated by stands with herbaceous and low shrub understories, but also with a satisfactory representation of old understories, that was favorable in terms of both fire risk and biodiversity. The simulation-optimization procedure presented can be extended to incorporate a wide range of landscape dynamic processes, management rules and quantifiable

  7. Optimization of landscape services under uncoordinated management by multiple landowners.

    Directory of Open Access Journals (Sweden)

    Miguel Porto

    Full Text Available Landscapes are often patchworks of private properties, where composition and configuration patterns result from cumulative effects of the actions of multiple landowners. Securing the delivery of services in such multi-ownership landscapes is challenging, because it is difficult to assure tight compliance to spatially explicit management rules at the level of individual properties, which may hinder the conservation of critical landscape features. To deal with these constraints, a multi-objective simulation-optimization procedure was developed to select non-spatial management regimes that best meet landscape-level objectives, while accounting for uncoordinated and uncertain response of individual landowners to management rules. Optimization approximates the non-dominated Pareto frontier, combining a multi-objective genetic algorithm and a simulator that forecasts trends in landscape pattern as a function of management rules implemented annually by individual landowners. The procedure was demonstrated with a case study for the optimum scheduling of fuel treatments in cork oak forest landscapes, involving six objectives related to reducing management costs (1, reducing fire risk (3, and protecting biodiversity associated with mid- and late-successional understories (2. There was a trade-off between cost, fire risk and biodiversity objectives, that could be minimized by selecting management regimes involving ca. 60% of landowners clearing the understory at short intervals (around 5 years, and the remaining managing at long intervals (ca. 75 years or not managing. The optimal management regimes produces a mosaic landscape dominated by stands with herbaceous and low shrub understories, but also with a satisfactory representation of old understories, that was favorable in terms of both fire risk and biodiversity. The simulation-optimization procedure presented can be extended to incorporate a wide range of landscape dynamic processes, management rules

  8. Sustainable Energy Landscape: Implementing Energy Transition in the Physical Realm

    NARCIS (Netherlands)

    Stremke, S.

    2015-01-01

    Since the beginning of the new millennium, the concept of “energy landscape” is being discussed by academia from the environmental design domain while more and more practitioners have been contributing to sustainable energy transition. Yet, there remains some ambiguity as to what exactly is meant

  9. New Energy Landscapes of Pennsylvania: Forests to Farms to Fracking

    Science.gov (United States)

    Johnson, Deborah A.

    This dissertation adds to the literature on energy needed by industry, government, and citizens for decision-making. The pursuit to access or create new energy resources spawns new landscapes of energy in the early 21st century. The combination of hydraulic fracturing and horizontal drilling technologies---popularly called "fracking"---enables entry into previously inaccessible natural gas reserves such as the Marcellus shale much of which lies beneath Pennsylvania. Although this unconventional method offers a promising source of domestic energy and job growth, the potential for negative impacts raises concerns and questions. The questions include: What is the controversy about fracking in Pennsylvania? What are the impacts of fracking? What costs is Pennsylvania paying as it shifts to shale gas extraction? Are there activities taking place or material signs that point to the emerging new landscapes? Are the individuals and organizations that resist shale gas extraction---the so-called "Green Forces"---and others who live within the region of development more or less attuned to these costs? A mixed methods approach consists of landscape and stakeholder analyses including visual examination of GIS-generated maps, satellite images, and photos taken in the field specifically from four counties: Washington, Warren, McKean, and Bradford. Research captures stakeholders' voices across the public, government, and private sectors at different scales. A stakeholder matrix facilitates data organization and analysis. Data include 114 individual statements from an EPA Public Meeting, texts from 40 online-newspaper articles or blogs, and face-to-face interviews or focus group participation of 36 individuals. Further data come from a public health conference, industry convention, and public protest. The new energy landscape covers spaces in Pennsylvania where oil and gas development previously had not been present. It obscures as well as exposes the legacy of past energy

  10. The mechanisms for filling carbon nanotubes with molten salts: carbon nanotubes as energy landscape filters

    International Nuclear Information System (INIS)

    Bishop, Clare L; Wilson, Mark

    2009-01-01

    The mechanisms for filling carbon nanotubes with molten salts are investigated using molecular dynamics computer simulation. Inorganic nanotubular structures, whose morphologies can be rationalized in terms of the folding, or the removal of sections from, planes of square nets are found to form. The formation mechanisms are found to follow a 'chain-by-chain' motif in which the structures build systematically from charge neutral M-X-M-Xc chains. The formation mechanisms are rationalized in terms of the ion-ion interactions (intra-chain and inter-chain terms). In addition, the mechanisms of filling are discussed in terms of a 'hopping' between basins on the underlying energy landscape. The role of the carbon nanotube as an energy landscape filter is discussed.

  11. Hydrogen: energy transition under way

    International Nuclear Information System (INIS)

    Franc, Pierre-Etienne; Mateo, Pascal

    2015-01-01

    Written by a representative of Air Liquide with the help of a free lance journalist, this book proposes an overview of the technological developments for the use of hydrogen as a clean energy with its ability to store primary energy (notably that produced by renewable sources), and its capacity of energy restitution in combination with a fuel cell with many different applications (notably mobility-related applications). The authors outline that these developments are very important in a context of energy transition. They also outline what is left to be done, notably economically and financially, for hydrogen to play its role in the energy revolution which is now under way

  12. Multiscale coarse-graining of the protein energy landscape.

    Directory of Open Access Journals (Sweden)

    Ronald D Hills

    2010-06-01

    Full Text Available A variety of coarse-grained (CG models exists for simulation of proteins. An outstanding problem is the construction of a CG model with physically accurate conformational energetics rivaling all-atom force fields. In the present work, atomistic simulations of peptide folding and aggregation equilibria are force-matched using multiscale coarse-graining to develop and test a CG interaction potential of general utility for the simulation of proteins of arbitrary sequence. The reduced representation relies on multiple interaction sites to maintain the anisotropic packing and polarity of individual sidechains. CG energy landscapes computed from replica exchange simulations of the folding of Trpzip, Trp-cage and adenylate kinase resemble those of other reduced representations; non-native structures are observed with energies similar to those of the native state. The artifactual stabilization of misfolded states implies that non-native interactions play a deciding role in deviations from ideal funnel-like cooperative folding. The role of surface tension, backbone hydrogen bonding and the smooth pairwise CG landscape is discussed. Ab initio folding aside, the improved treatment of sidechain rotamers results in stability of the native state in constant temperature simulations of Trpzip, Trp-cage, and the open to closed conformational transition of adenylate kinase, illustrating the potential value of the CG force field for simulating protein complexes and transitions between well-defined structural states.

  13. Protein energy landscapes determined by five-dimensional crystallography

    International Nuclear Information System (INIS)

    Schmidt, Marius; Srajer, Vukica; Henning, Robert; Ihee, Hyotcherl; Purwar, Namrta; Tenboer, Jason; Tripathi, Shailesh

    2013-01-01

    Barriers of activation within the photocycle of a photoactive protein were extracted from comprehensive time courses of time resolved crystallographic data collected at multiple temperature settings. Free-energy landscapes decisively determine the progress of enzymatically catalyzed reactions [Cornish-Bowden (2012 ▶), Fundamentals of Enzyme Kinetics, 4th ed.]. Time-resolved macromolecular crystallography unifies transient-state kinetics with structure determination [Moffat (2001 ▶), Chem. Rev.101, 1569–1581; Schmidt et al. (2005 ▶), Methods Mol. Biol.305, 115–154; Schmidt (2008 ▶), Ultrashort Laser Pulses in Medicine and Biology] because both can be determined from the same set of X-ray data. Here, it is demonstrated how barriers of activation can be determined solely from five-dimensional crystallography, where in addition to space and time, temperature is a variable as well [Schmidt et al. (2010 ▶), Acta Cryst. A66, 198–206]. Directly linking molecular structures with barriers of activation between them allows insight into the structural nature of the barrier to be gained. Comprehensive time series of crystallographic data at 14 different temperature settings were analyzed and the entropy and enthalpy contributions to the barriers of activation were determined. One hundred years after the discovery of X-ray scattering, these results advance X-ray structure determination to a new frontier: the determination of energy landscapes

  14. Technology assessment in energy landscapes. Agent-based modeling of energy conflicts

    International Nuclear Information System (INIS)

    Scheffran, Juergen; Link, P. Michael; Shaaban, Mostafa; Suesser, Diana

    2017-01-01

    The risks and conflicts of the fossil-nuclear age are in contrast to the effects of renewable energies which appear in a largely positive light. However, the transformation towards a low-carbon energy supply creates new energy landscapes with a high demand for suitable land areas - which may also provoke energy conflicts. Technology assessment can contribute to reducing such energy conflicts and increasing public acceptance by using spatial agent-based models that represent dynamic decisions and interactions of stakeholders regarding energy alternatives and land-use options. Northern Germany serves as a case study region where farmers and communities are local actors of the energy transition.

  15. Landscape of Future Accelerators at the Energy and Intensity Frontier

    Energy Technology Data Exchange (ETDEWEB)

    Syphers, M. J. [Northern Illinois U.; Chattopadhyay, S. [Northern Illinois U.

    2016-11-21

    An overview is provided of the currently envisaged landscape of charged particle accelerators at the energy and intensity frontiers to explore particle physics beyond the standard model via 1-100 TeV-scale lepton and hadron colliders and multi-Megawatt proton accelerators for short- and long- baseline neutrino experiments. The particle beam physics, associated technological challenges and progress to date for these accelerator facilities (LHC, HL-LHC, future 100 TeV p-p colliders, Tev-scale linear and circular electron-positron colliders, high intensity proton accelerator complex PIP-II for DUNE and future upgrade to PIP-III) are outlined. Potential and prospects for advanced “nonlinear dynamic techniques” at the multi-MW level intensity frontier and advanced “plasma- wakefield-based techniques” at the TeV-scale energy frontier and are also described.

  16. Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling.

    Science.gov (United States)

    Shaffer, Patrick; Valsson, Omar; Parrinello, Michele

    2016-12-13

    In recent work, we demonstrated that it is possible to obtain approximate representations of high-dimensional free energy surfaces with variationally enhanced sampling ( Shaffer, P.; Valsson, O.; Parrinello, M. Proc. Natl. Acad. Sci. , 2016 , 113 , 17 ). The high-dimensional spaces considered in that work were the set of backbone dihedral angles of a small peptide, Chignolin, and the high-dimensional free energy surface was approximated as the sum of many two-dimensional terms plus an additional term which represents an initial estimate. In this paper, we build on that work and demonstrate that we can calculate high-dimensional free energy surfaces of very high accuracy by incorporating additional terms. The additional terms apply to a set of collective variables which are more coarse than the base set of collective variables. In this way, it is possible to build hierarchical free energy surfaces, which are composed of terms that act on different length scales. We test the accuracy of these free energy landscapes for the proteins Chignolin and Trp-cage by constructing simple coarse-grained models and comparing results from the coarse-grained model to results from atomistic simulations. The approach described in this paper is ideally suited for problems in which the free energy surface has important features on different length scales or in which there is some natural hierarchy.

  17. Free energy landscape and molecular pathways of gas hydrate nucleation

    International Nuclear Information System (INIS)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-01-01

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  18. Free energy landscape and molecular pathways of gas hydrate nucleation.

    Science.gov (United States)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  19. Free energy landscape and molecular pathways of gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu, E-mail: tsli@gwu.edu [Department of Civil and Environmental Engineering, George Washington University, Washington DC 20052 (United States)

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p{sub B} histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p{sub B} histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  20. Pest-suppression potential of midwestern landscapes under contrasting bioenergy scenarios.

    Directory of Open Access Journals (Sweden)

    Timothy D Meehan

    Full Text Available Biomass crops grown on marginal soils are expected to fuel an emerging bioenergy industry in the United States. Bioenergy crop choice and position in the landscape could have important impacts on a range of ecosystem services, including natural pest-suppression (biocontrol services provided by predatory arthropods. In this study we use predation rates of three sentinel crop pests to develop a biocontrol index (BCI summarizing pest-suppression potential in corn and perennial grass-based bioenergy crops in southern Wisconsin, lower Michigan, and northern Illinois. We show that BCI is higher in perennial grasslands than in corn, and increases with the amount of perennial grassland in the surrounding landscape. We develop an empirical model for predicting BCI from information on energy crop and landscape characteristics, and use the model in a qualitative assessment of changes in biocontrol services for annual croplands on prime agricultural soils under two contrasting bioenergy scenarios. Our analysis suggests that the expansion of annual energy crops onto 1.2 million ha of existing perennial grasslands on marginal soils could reduce BCI between -10 and -64% for nearly half of the annual cropland in the region. In contrast, replacement of the 1.1 million ha of existing annual crops on marginal land with perennial energy crops could increase BCI by 13 to 205% on over half of the annual cropland in the region. Through comparisons with other independent studies, we find that our biocontrol index is negatively related to insecticide use across the Midwest, suggesting that strategically positioned, perennial bioenergy crops could reduce insect damage and insecticide use on neighboring food and forage crops. We suggest that properly validated environmental indices can be used in decision support systems to facilitate integrated assessments of the environmental and economic impacts of different bioenergy policies.

  1. Sustaining forest landscape connectivity under different land cover change scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Rubio, L.; Rodriguez-Freire, M.; Mateo-Sanchez, M. C.; Estreguil, C.; Saura, S.

    2012-11-01

    Managing forest landscapes to sustain functional connectivity is considered one of the key strategies to counteract the negative effects of climate and human-induced changes in forest species pools. With this objective, we evaluated whether a robust network of forest connecting elements can be identified so that it remains efficient when facing different types of potential land cover changes that may affect forest habitat networks and ecological fluxes. For this purpose we considered changes both in the forested areas and in the non-forest intervening landscape matrix. We combined some of the most recent developments in graph theory with models of land cover permeability and least-cost analysis through the forest landscape. We focused on a case of study covering the habitat of a forest dwelling bird (nuthatch, Sitta europaea) in the region of Galicia (NW Spain). Seven land-use change scenarios were analysed for their effects on connecting forest elements (patches and links): one was the simplest case in which the landscape is represented as a binary forest/non-forest pattern (and where matrix heterogeneity is disregarded), four scenarios in which forest lands were converted to other cover types (to scrubland due to wildfires, to extensive and intensive agriculture, and to urban areas), and two scenarios that only involved changes in the non-forested matrix (re naturalization and intensification). Our results show that while the network of connecting elements for the species was very robust to the conversion of the forest habitat patches to different cover types, the different change scenarios in the landscape matrix could more significantly weaken its long-term validity and effectiveness. This is particularly the case when most of the key connectivity providers for the nuthatch are located outside the protected areas or public forests in Galicia, where biodiversity-friendly measures might be more easily implemented. We discuss how the methodology can be applied to

  2. Trp-cage: Folding free energy landscape in explicit water

    Science.gov (United States)

    Zhou, Ruhong

    2003-11-01

    Trp-cage is a 20-residue miniprotein, which is believed to be the fastest folder known so far. In this study, the folding free energy landscape of Trp-cage has been explored in explicit solvent by using an OPLSAA force field with periodic boundary condition. A highly parallel replica exchange molecular dynamics method is used for the conformation space sampling, with the help of a recently developed efficient molecular dynamics algorithm P3ME/RESPA (particle-particle particle-mesh Ewald/reference system propagator algorithm). A two-step folding mechanism is proposed that involves an intermediate state where two correctly formed partial hydrophobic cores are separated by an essential salt-bridge between residues Asp-9 and Arg-16 near the center of the peptide. This metastable intermediate state provides an explanation for the superfast folding process. The free energy landscape is found to be rugged at low temperatures, and then becomes smooth and funnel-like above 340 K. The lowest free energy structure at 300 K is only 1.50 Å C-RMSD (C-rms deviation) from the NMR structures. The simulated nuclear Overhauser effect pair distances are in excellent agreement with the raw NMR data. The temperature dependence of the Trp-cage population, however, is found to be significantly different from experiment, with a much higher melting transition temperature above 400 K (experimental 315 K), indicating that the current force fields, parameterized at room temperature, need to be improved to correctly predict the temperature dependence.

  3. Multivariable extrapolation of grand canonical free energy landscapes

    Science.gov (United States)

    Mahynski, Nathan A.; Errington, Jeffrey R.; Shen, Vincent K.

    2017-12-01

    We derive an approach for extrapolating the free energy landscape of multicomponent systems in the grand canonical ensemble, obtained from flat-histogram Monte Carlo simulations, from one set of temperature and chemical potentials to another. This is accomplished by expanding the landscape in a Taylor series at each value of the order parameter which defines its macrostate phase space. The coefficients in each Taylor polynomial are known exactly from fluctuation formulas, which may be computed by measuring the appropriate moments of extensive variables that fluctuate in this ensemble. Here we derive the expressions necessary to define these coefficients up to arbitrary order. In principle, this enables a single flat-histogram simulation to provide complete thermodynamic information over a broad range of temperatures and chemical potentials. Using this, we also show how to combine a small number of simulations, each performed at different conditions, in a thermodynamically consistent fashion to accurately compute properties at arbitrary temperatures and chemical potentials. This method may significantly increase the computational efficiency of biased grand canonical Monte Carlo simulations, especially for multicomponent mixtures. Although approximate, this approach is amenable to high-throughput and data-intensive investigations where it is preferable to have a large quantity of reasonably accurate simulation data, rather than a smaller amount with a higher accuracy.

  4. A data-driven analysis of energy balance closure across FLUXNET research sites: The role of landscape scale heterogeneity

    DEFF Research Database (Denmark)

    Stoy, Paul C.; Mauder, Matthias; Foken, Thomas

    2013-01-01

    approached 1. These results suggest that landscape-level heterogeneity in vegetation and topography cannot be ignored as a contributor to incomplete energy balance closure at the flux network level, although net radiation measurements, biological energy assimilation, unmeasured storage terms......The energy balance at most surface-atmosphere flux research sites remains unclosed. The mechanisms underlying the discrepancy between measured energy inputs and outputs across the global FLUXNET tower network are still under debate. Recent reviews have identified exchange processes and turbulent...... motions at large spatial and temporal scales in heterogeneous landscapes as the primary cause of the lack of energy balance closure at some intensively-researched sites, while unmeasured storage terms cannot be ruled out as a dominant contributor to the lack of energy balance closure at many other sites...

  5. Fitness landscapes among many options under social influence.

    Science.gov (United States)

    Caiado, Camila C S; Brock, William A; Bentley, R Alexander; O'Brien, Michael J

    2016-09-21

    Cultural learning represents a novel problem in that an optimal decision depends not only on intrinsic utility of the decision/behavior but also on transparency of costs and benefits, the degree of social versus individual learning, and the relative popularity of each possible choice in a population. In terms of a fitness-landscape function, this recursive relationship means that multiple equilibria can exist. Here we use discrete-choice theory to construct a fitness-landscape function for a bi-axial decision-making map that plots the magnitude of social influence in the learning process against the costs and payoffs of decisions. Specifically, we use econometric and statistical methods to estimate not only the fitness function but also movements along the map axes. To search for these equilibria, we employ a hill-climbing algorithm that leads to the expected values of optimal decisions, which we define as peaks on the fitness landscape. We illustrate how estimation of a measure of transparency, a measure of social influence, and the associated fitness landscape can be accomplished using panel data sets. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Approximate scaling properties of RNA free energy landscapes

    Science.gov (United States)

    Baskaran, S.; Stadler, P. F.; Schuster, P.

    1996-01-01

    RNA free energy landscapes are analysed by means of "time-series" that are obtained from random walks restricted to excursion sets. The power spectra, the scaling of the jump size distribution, and the scaling of the curve length measured with different yard stick lengths are used to describe the structure of these "time series". Although they are stationary by construction, we find that their local behavior is consistent with both AR(1) and self-affine processes. Random walks confined to excursion sets (i.e., with the restriction that the fitness value exceeds a certain threshold at each step) exhibit essentially the same statistics as free random walks. We find that an AR(1) time series is in general approximately self-affine on timescales up to approximately the correlation length. We present an empirical relation between the correlation parameter rho of the AR(1) model and the exponents characterizing self-affinity.

  7. Experimental evidence of dynamic re-organization of evolving landscapes under changing climatic forcing

    Science.gov (United States)

    Singh, Arvind; Tejedor, Alejandro; Zaliapin, Ilya; Reinhardt, Liam; Foufoula-Georgiou, Efi

    2015-04-01

    The aim of this study is to better understand the dynamic re-organization of an evolving landscape under a scenario of changing climatic forcing for improving our knowledge of geomorphic transport laws under transient conditions and developing predictive models of landscape response to external perturbations. Real landscape observations for long-term analysis are limited and to this end a high resolution controlled laboratory experiment was conducted at the St. Anthony Falls laboratory at the University of Minnesota. Elevation data were collected at temporal resolution of 5 mins and spatial resolution of 0.5 mm as the landscape approached steady state (constant uplift and precipitation rate) and in the transient state (under the same uplift and 5x precipitation). The results reveal rapid topographic re-organization under a five-fold precipitation increase with the fluvial regime expanding into the previously debris dominated regime, accelerated erosion happening at hillslope scales, and rivers shifting from an erosion-limited to a transport-limited regime. From a connectivity and clustering analysis of the erosional and depositional events, we demonstrate the strikingly different spatial patterns of landscape evolution under steady-state (SS) and transient-state (TS), even when the time under SS is "stretched" compared to that under TS such as to match the total volume and PDF of erosional and depositional amounts. We quantify the spatial coupling of hillslopes and channels and demonstrate that hillslopes lead and channels follow in re-organizing the whole landscape under such an amplified precipitation regime.

  8. Temporal disconnectivity of the energy landscape in glassy systems

    Science.gov (United States)

    Lempesis, Nikolaos; Boulougouris, Georgios C.; Theodorou, Doros N.

    2013-03-01

    An alternative graphical representation of the potential energy landscape (PEL) has been developed and applied to a binary Lennard-Jones glassy system, providing insight into the unique topology of the system's potential energy hypersurface. With the help of this representation one is able to monitor the different explored basins of the PEL, as well as how - and mainly when - subsets of basins communicate with each other via transitions in such a way that details of the prior temporal history have been erased, i.e., local equilibration between the basins in each subset has been achieved. In this way, apart from detailed information about the structure of the PEL, the system's temporal evolution on the PEL is described. In order to gather all necessary information about the identities of two or more basins that are connected with each other, we consider two different approaches. The first one is based on consideration of the time needed for two basins to mutually equilibrate their populations according to the transition rate between them, in the absence of any effect induced by the rest of the landscape. The second approach is based on an analytical solution of the master equation that explicitly takes into account the entire explored landscape. It is shown that both approaches lead to the same result concerning the topology of the PEL and dynamical evolution on it. Moreover, a "temporal disconnectivity graph" is introduced to represent a lumped system stemming from the initial one. The lumped system is obtained via a specially designed algorithm [N. Lempesis, D. G. Tsalikis, G. C. Boulougouris, and D. N. Theodorou, J. Chem. Phys. 135, 204507 (2011), 10.1063/1.3663207]. The temporal disconnectivity graph provides useful information about both the lumped and the initial systems, including the definition of "metabasins" as collections of basins that communicate with each other via transitions that are fast relative to the observation time. Finally, the two examined

  9. Energy Landscape and Pathways for Transitions between Watson-Crick and Hoogsteen Base Pairing in DNA.

    Science.gov (United States)

    Chakraborty, Debayan; Wales, David J

    2018-01-04

    The recent discovery that Hoogsteen (HG) base pairs are widespread in DNA across diverse sequences and positional contexts could have important implications for understanding DNA replication and DNA-protein recognition. While evidence is emerging that the Hoogsteen conformation could be a thermodynamically accessible conformation of the DNA duplex and provide a means to expand its functionality, relatively little is known about the molecular mechanism underlying the Watson-Crick (WC) to HG transition. In this Perspective, we describe pathways and kinetics for this transition at an atomic level of detail, using the energy landscape perspective. We show that competition between the duplex conformations results in a double funnel landscape, which explains some recent experimental observations. The interconversion pathways feature a number of intermediates, with a variable number of WC and HG base pairs. The relatively slow kinetics, with possible deviations from two-state behavior, suggest that this conformational switch is likely to be a challenging target for both simulation and experiment.

  10. Energy landscapes shape microbial communities in hydrothermal systems on the Arctic Mid-Ocean Ridge.

    Science.gov (United States)

    Dahle, Håkon; Økland, Ingeborg; Thorseth, Ingunn H; Pederesen, Rolf B; Steen, Ida H

    2015-07-01

    Methods developed in geochemical modelling combined with recent advances in molecular microbial ecology provide new opportunities to explore how microbial communities are shaped by their chemical surroundings. Here, we present a framework for analyses of how chemical energy availability shape chemotrophic microbial communities in hydrothermal systems through an investigation of two geochemically different basalt-hosted hydrothermal systems on the Arctic Mid-Ocean Ridge: the Soria Moria Vent field (SMVF) and the Loki's Castle Vent Field (LCVF). Chemical energy landscapes were evaluated through modelling of the Gibbs energy from selected redox reactions under different mixing ratios between seawater and hydrothermal fluids. Our models indicate that the sediment-influenced LCVF has a much higher potential for both anaerobic and aerobic methane oxidation, as well as aerobic ammonium and hydrogen oxidation, than the SMVF. The modelled energy landscapes were used to develop microbial community composition models, which were compared with community compositions in environmental samples inside or on the exterior of hydrothermal chimneys, as assessed by pyrosequencing of partial 16S rRNA genes. We show that modelled microbial communities based solely on thermodynamic considerations can have a high predictive power and provide a framework for analyses of the link between energy availability and microbial community composition.

  11. Free energy landscape of a minimalist salt bridge model.

    Science.gov (United States)

    Li, Xubin; Lv, Chao; Corbett, Karen M; Zheng, Lianqing; Wu, Dongsheng; Yang, Wei

    2016-01-01

    Salt bridges are essential to protein stability and dynamics. Despite the importance, there has been scarce of detailed discussion on how salt bridge partners interact with each other in distinct solvent exposed environments. In this study, employing a recent generalized orthogonal space tempering (gOST) method, we enabled efficient molecular dynamics simulation of repetitive breaking and reforming of salt bridge structures within a minimalist salt-bridge model, the Asp-Arg dipeptide and thereby were able to map its detailed free energy landscape in aqueous solution. Free energy surface analysis shows that although individually-solvated states are more favorable, salt-bridge states still occupy a noticeable portion of the overall population. Notably, the competing forces, e.g. intercharge attractions that drive the formation of salt bridges and solvation forces that pull the charged groups away from each other, are energetically comparable. As the result, the salt bridge stability is highly tunable by local environments; for instance when local water molecules are perturbed to interact more strongly with each other, the population of the salt-bridge states is likely to increase. Our results reveal the critical role of local solvent structures in modulating salt-bridge partner interactions and imply the importance of water fluctuations on conformational dynamics that involves solvent accessible salt bridge formations. © 2015 The Protein Society.

  12. Potential energy landscape and robustness of a gene regulatory network: toggle switch.

    Directory of Open Access Journals (Sweden)

    Keun-Young Kim

    2007-03-01

    Full Text Available Finding a multidimensional potential landscape is the key for addressing important global issues, such as the robustness of cellular networks. We have uncovered the underlying potential energy landscape of a simple gene regulatory network: a toggle switch. This was realized by explicitly constructing the steady state probability of the gene switch in the protein concentration space in the presence of the intrinsic statistical fluctuations due to the small number of proteins in the cell. We explored the global phase space for the system. We found that the protein synthesis rate and the unbinding rate of proteins to the gene were small relative to the protein degradation rate; the gene switch is monostable with only one stable basin of attraction. When both the protein synthesis rate and the unbinding rate of proteins to the gene are large compared with the protein degradation rate, two global basins of attraction emerge for a toggle switch. These basins correspond to the biologically stable functional states. The potential energy barrier between the two basins determines the time scale of conversion from one to the other. We found as the protein synthesis rate and protein unbinding rate to the gene relative to the protein degradation rate became larger, the potential energy barrier became larger. This also corresponded to systems with less noise or the fluctuations on the protein numbers. It leads to the robustness of the biological basins of the gene switches. The technique used here is general and can be applied to explore the potential energy landscape of the gene networks.

  13. Bayesian energy landscape tilting: towards concordant models of molecular ensembles.

    Science.gov (United States)

    Beauchamp, Kyle A; Pande, Vijay S; Das, Rhiju

    2014-03-18

    Predicting biological structure has remained challenging for systems such as disordered proteins that take on myriad conformations. Hybrid simulation/experiment strategies have been undermined by difficulties in evaluating errors from computational model inaccuracies and data uncertainties. Building on recent proposals from maximum entropy theory and nonequilibrium thermodynamics, we address these issues through a Bayesian energy landscape tilting (BELT) scheme for computing Bayesian hyperensembles over conformational ensembles. BELT uses Markov chain Monte Carlo to directly sample maximum-entropy conformational ensembles consistent with a set of input experimental observables. To test this framework, we apply BELT to model trialanine, starting from disagreeing simulations with the force fields ff96, ff99, ff99sbnmr-ildn, CHARMM27, and OPLS-AA. BELT incorporation of limited chemical shift and (3)J measurements gives convergent values of the peptide's α, β, and PPII conformational populations in all cases. As a test of predictive power, all five BELT hyperensembles recover set-aside measurements not used in the fitting and report accurate errors, even when starting from highly inaccurate simulations. BELT's principled framework thus enables practical predictions for complex biomolecular systems from discordant simulations and sparse data. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  14. The environmental benefits of cellulosic energy crops at a landscape scale

    International Nuclear Information System (INIS)

    Graham, R.L.; Liu, W.; English, B.C.

    1995-01-01

    The objective of this paper is to present a broad overview of the potential environmental impacts of biomass energy from energy crops--particularly the cellulosic energy crops current under development. For this discussion, the term energy crop refers to a crop grown primarily to create feedstock for either making biofuels such as ethanol or burning in a heat or electricity generation facility. Cellulosic energy crops are designed to be used in cellulose-based ethanol conversion processes (as opposed to starch or sugar-based ethanol conversion processes). As more cellulose can be produced per hectare of land than can sugar or starch, the cellulose-based ethanol conversion process is a more efficient sue of land for ethanol production. Assessing the environmental impacts of biomass energy from energy crops is complex because the environmental impact of using biomass for energy must be considered in the context of alternative energy options while the environmental impact of producing biomass from energy crops must be considered in the context of alternative land-uses. Using biomass-derived energy can reduce greenhouse gas emissions or increase them; growing biomass energy crops can enhance soil fertility or degrade it. Without knowing the context of the biomass energy, one can say little about its specific environmental impacts. The primary focus of this paper is an evaluation of the environmental impacts of growing cellulosic energy crops especially at the landscape or regional scale. However, to set the stage for this discussion, the authors begin by comparing the environmental advantages and disadvantages of biomass-derived energy relative to other energy alternatives such as coal, hydropower, nuclear power, oil/gasoline, natural gas and photovoltaics

  15. Habitat and landscape characteristics underlying anuran community structure along an urban-rural gradient.

    Science.gov (United States)

    Pillsbury, Finn C; Miller, James R

    2008-07-01

    Urbanization has been cited as an important factor in worldwide amphibian declines, and although recent work has illustrated the important influence of broad-scale ecological patterns and processes on amphibian populations, little is known about the factors structuring amphibian communities in urban landscapes. We therefore examined amphibian community responses to wetland habitat availability and landscape characteristics along an urban-rural gradient in central Iowa, USA, a region experiencing rapid suburban growth. We conducted call surveys at 61 wetlands to estimate anuran calling activity, and quantified wetland habitat structure and landscape context. We used canonical correspondence analysis (CCA) to examine patterns in anuran community structure and identify the most important variables associated with those patterns. Urban density at the landscape scale had a significant negative influence on overall anuran abundance and diversity. While every species exhibited a decrease in abundance with increasing urban density, this pattern was especially pronounced for species requiring post-breeding upland habitats. Anurans most affected by urbanization were those associated with short hydroperiods, early breeding activity, and substantial upland habitat use. We suggest that broad-scale landscape fragmentation is an important factor underlying anuran community structure in this region, possibly due to limitations on the accessibility of otherwise suitable habitat in fragmented urban landscapes. This study underscores the importance of a regional approach to amphibian conservation in urban and urbanizing areas; in fragmented landscapes, a network of interconnected wetland and upland habitats may be more likely to support a successful, diverse anuran community than will isolated sites.

  16. Relationship between energy landscape and low-temperature dynamics of ±J spin glasses

    International Nuclear Information System (INIS)

    Kobe, S.; Krawczyk, J.

    2004-01-01

    Clusters and valleys in the exact low-energy landscape of finite Edwards-Anderson ±J spin glasses are related to the distribution of spin domains and free spins in the ground states. The time evolution of the spin correlation function reflects a walk through the landscape at a given temperature and shows typical glassy behaviour

  17. Landscape and Energy%景观和能源

    Institute of Scientific and Technical Information of China (English)

    德克·西蒙斯; 李佳怿(译); 吴晓彤(校)

    2016-01-01

    research-through-design projects. The Rotterdam case is produced with local stakeholders for the 2014 ‘Landscape and Energy’ book publication. This land-oriented case is complemented by a project on the seascape of the North Sea as a future energy landscape in the IABR-2016 project 2050: An Energetic Odyssey. Especialy the last case not only justifies the conclusion that landscape architecture can play a role but also that research-by-design is a strong instrument to help in policy making.

  18. Conference on landscape impacts of wind energy and local acceptance: France-Germany crossed views

    International Nuclear Information System (INIS)

    Bouscatel, Jerome; Olagne, Regis; Derkenne, Chantal; Galiano, Mila; Mayer, Joerg; Ratzbor, Guenter; Laborgne, Pia; Nadai, Alain; Ratouis, Marie-Odile; Schoebel-Rutschmann, Soeren; Petit, Jean-Francois; Guennewig, Dieter; Portales, David

    2008-01-01

    The French-German office for Renewable energies (OFAEnR) organised a conference on the landscape impacts of wind energy. In the framework of this French-German exchange of experience, more than 100 participants exchanged views on the environmental impact of wind farms and the opinion of residents. This document brings together the available presentations (slides) made during this event: 1 - French people and wind energy (Mila Galiano); 2 - Wind energy acceptance in Germany: an essential factor for the wind industry development (Joerg Mayer); 3 - Taking into account landscapes and residents in the development of wind farms: a France-Germany comparison (Pia Laborgne, Alain Nadai); 3 - Wind energy development supervision thanks to territorial planning in Germany (Guenter Ratzbor); 4 - Landscape challenges in wind energy development: point of view and role of a state decentralised department (Marie-Odile Ratouis); 5 - Park or landscape - Wind turbines as elements of the cultural landscape (Soeren Schoebel-Rutschmann); 6 - How should a developer approach the 'landscape' aspect when foreseeing a wind energy project installation (Jean-Francois Petit); 7 - More consensual wind energy projects along highways, railways and overhead power lines? (Dieter Guennewig); 8 - The 'wings top': un example of participatory and citizen's project (David Portales)

  19. The free energy landscape of small molecule unbinding.

    Directory of Open Access Journals (Sweden)

    Danzhi Huang

    2011-02-01

    Full Text Available The spontaneous dissociation of six small ligands from the active site of FKBP (the FK506 binding protein is investigated by explicit water molecular dynamics simulations and network analysis. The ligands have between four (dimethylsulphoxide and eleven (5-diethylamino-2-pentanone non-hydrogen atoms, and an affinity for FKBP ranging from 20 to 0.2 mM. The conformations of the FKBP/ligand complex saved along multiple trajectories (50 runs at 310 K for each ligand are grouped according to a set of intermolecular distances into nodes of a network, and the direct transitions between them are the links. The network analysis reveals that the bound state consists of several subbasins, i.e., binding modes characterized by distinct intermolecular hydrogen bonds and hydrophobic contacts. The dissociation kinetics show a simple (i.e., single-exponential time dependence because the unbinding barrier is much higher than the barriers between subbasins in the bound state. The unbinding transition state is made up of heterogeneous positions and orientations of the ligand in the FKBP active site, which correspond to multiple pathways of dissociation. For the six small ligands of FKBP, the weaker the binding affinity the closer to the bound state (along the intermolecular distance are the transition state structures, which is a new manifestation of Hammond behavior. Experimental approaches to the study of fragment binding to proteins have limitations in temporal and spatial resolution. Our network analysis of the unbinding simulations of small inhibitors from an enzyme paints a clear picture of the free energy landscape (both thermodynamics and kinetics of ligand unbinding.

  20. Changes of Bulgarian Coastal Dune Landscape under Anthropogenic Impact

    Science.gov (United States)

    Palazov, A.; Young, R.; Stancheva, M.; Stanchev, H.

    2012-04-01

    At one time large sand dune formations were widely distributed along the Bulgarian coast. However, due to increased urbanization in the coastal zone, the areas of total dune landscape has been constantly reduced. Dunes presently comprise only 10% of the entire 412 km long coastline of Bulgaria: they embrace a total length of 38.57 km and a total area of 8.78 km2 Important tasks in dune protection are identification of landscape changes for a certain period of time and accurate delineation of sand dune areas. The present research traces sand dune changes along the Bulgarian Black Sea coast over a 27 year period (1983-2010). This period includes also the time of expanded tourist boom and overbuilding of the coastal zone, and respectively presents the largest dune changes and reductions. Based on the landscape change analyst in GIS environment the study also aims to explore the importance of different natural and human factors in driving the observed dune alterations and destruction. To detect and assess dune changes during the last 3 decades, we used data for sand dunes derived from several sources at different time periods in order to compare changes in shoreline positions, dune contours and areas: i) Topographic maps in 1:5,000 scale from 1983; ii) Modern Very High Resolution orthophotographs from 2006 and 2010; iii) QuickBird Very High Resolution satellite images from 2009; iv) Statistical information for population and tourist infrastructure is also used to consider the influence of human pressure and hotel developments on the dune dynamics. In addition, for more detailed description and visualization of main dune types, digital photos have been taken at many parts of the Bulgarian coast. The study was performed in GIS environment. Based on the results obtained the dunes along the Bulgarian coast were divided into three main groups with relation to the general factors responsible for their alterations: i) Dunes that have decreased in result of shoreline retreat

  1. Dynamic energy landscapes of riboswitches help interpret conformational rearrangements and function.

    Directory of Open Access Journals (Sweden)

    Giulio Quarta

    Full Text Available Riboswitches are RNAs that modulate gene expression by ligand-induced conformational changes. However, the way in which sequence dictates alternative folding pathways of gene regulation remains unclear. In this study, we compute energy landscapes, which describe the accessible secondary structures for a range of sequence lengths, to analyze the transcriptional process as a given sequence elongates to full length. In line with experimental evidence, we find that most riboswitch landscapes can be characterized by three broad classes as a function of sequence length in terms of the distribution and barrier type of the conformational clusters: low-barrier landscape with an ensemble of different conformations in equilibrium before encountering a substrate; barrier-free landscape in which a direct, dominant "downhill" pathway to the minimum free energy structure is apparent; and a barrier-dominated landscape with two isolated conformational states, each associated with a different biological function. Sharing concepts with the "new view" of protein folding energy landscapes, we term the three sequence ranges above as the sensing, downhill folding, and functional windows, respectively. We find that these energy landscape patterns are conserved in various riboswitch classes, though the order of the windows may vary. In fact, the order of the three windows suggests either kinetic or thermodynamic control of ligand binding. These findings help understand riboswitch structure/function relationships and open new avenues to riboswitch design.

  2. Numerical evaluation of the statistical properties of a potential energy landscape

    International Nuclear Information System (INIS)

    Nave, E La; Sciortino, F; Tartaglia, P; Michele, C De; Mossa, S

    2003-01-01

    The techniques which allow the numerical evaluation of the statistical properties of the potential energy landscape for models of simple liquids are reviewed and critically discussed. Expressions for the liquid free energy and its vibrational and configurational components are reported. Finally, a possible model for the statistical properties of the landscape, which appears to describe correctly fragile liquids in the region where equilibrium simulations are feasible, is discussed

  3. Threshold Research on Highway Length under Typical Landscape Patterns Based on Drivers’ Physiological Performance

    Directory of Open Access Journals (Sweden)

    Xia Zhao

    2015-01-01

    Full Text Available The appropriately landscaped highway scenes may not only help improve road safety and comfort but also help protect ecological environment. Yet there is very little research data on highway length threshold with consideration of distinctive landscape patterns. Against this backdrop, the paper aims to quantitatively analyze highway landscape’s effect on driving behavior based on drivers’ physiological performance and quantify highway length thresholds under three typical landscape patterns, namely, “open,” “semiopen,” and “vertical” ones. The statistical analysis was based on data collected in a driving simulator and electrocardiograph. Specifically, vehicle-related data, ECG data, and supplemental subjective stress perception were collected. The study extracted two characteristic indices, lane deviation and LF/HF, and extrapolated the drivers’ U-shaped physiological response to landscape patterns. Models on highway length were built based on LF/HF’s variation trend with highway length. The results revealed that the theoretical highway length threshold tended to increase when the landscape pattern was switched to open, semiopen, and vertical ones. And the reliability and accuracy of the results were validated by questionnaires and field operational tests. Findings from this research will assist practitioners in taking active environmental countermeasures pertaining to different roadside landscape patterns.

  4. Emergent reorganization of an evolving experimental landscape under changing climatic forcing

    Science.gov (United States)

    Singh, A.; Tejedor, A.; Zaliapin, I. V.; Reinhardt, L.; Foufoula-Georgiou, E.

    2014-12-01

    Understanding landscape re-organization under changing climatic forcing is fundamental to advancing our understanding of geomorphic transport laws under transient conditions, developing predictive models of landscape response to external perturbations, and interpreting the stratigraphic record for past climates by incorporating possible regime shifts. Real landscape observations for long-term analysis are limited and to this end a high resolution controlled laboratory experiment was conducted at the St. Anthony Falls laboratory at the University of Minnesota. Elevation data were collected at temporal resolution of 5 mins and spatial resolution of 0.5 mm as the landscape approached steady state (for a constant uplift and precipitation rate) and in the transient state (under the same uplift and 5x precipitation). The results reveal rapid topographic re-organization under a five-fold precipitation increase with the fluvial regime expanding into previously debris dominated regime, accelerated erosion happening at hillslope scales, and rivers shifting from an erosion-limited to a transport-limited regime. By studying the space-time structure of the individual erosional and depositional events in terms of their size, location, clustering, and total volume we report complex space-time patterns of change which are scale-dependent and bounded by the river network topology. At the same time, the river network topology itself adjusts at smaller scales, with new channels added to accommodate increased hillslope erosional transport, further adjusting the landscape. Some new ideas related to landscape variability and entropy evolution at different scales during steady and transient states and the possibility of analyzing the self-organization with Optimal Mass Transport (OMT) metrics to infer possible underlying "optimality" principles governing the re-organization will also be presented.

  5. Energy Transition: Missed Opportunities and Emerging Challenges for Landscape Planning and Designing

    Directory of Open Access Journals (Sweden)

    Renée M. de Waal

    2014-07-01

    Full Text Available Making the shift from fossil fuels to renewable energy seems inevitable. Because energy transition poses new challenges and opportunities to the discipline of landscape architecture, the questions addressed in this paper are: (1 what landscape architects can learn from successful energy transitions in Güssing, Jühnde and Samsø; and (2 to what extent landscape architecture (or other spatial disciplines contributed to energy transition in the aforementioned cases. An exploratory, comparative case study was conducted to identify differences and similarities among the cases, to answer the research questions, and to formulate recommendations for further research and practice. The comparison indicated that the realized renewable energy systems are context-dependent and, therefore, specifically designed to meet the respective energy demand, making use of the available potentials for renewable energy generation and efficiency. Further success factors seemed to be the presence of (local frontrunners and a certain degree of citizen participation. The relatively smooth implementation of renewable energy technologies in Jühnde and on Samsø may indicate the importance of careful and (partly institutionalized consideration of landscape impact, siting and design. Comparing the cases against the literature demonstrated that landscape architects were not as involved as they, theoretically, could have been. However, particularly when the aim is sustainable development, rather than “merely” renewable energy provision, the integrative concept of “sustainable energy landscapes” can be the arena where landscape architecture and other disciplines meet to pursue global sustainability goals, while empowering local communities and safeguarding landscape quality.

  6. Preservation of a Preglacial Landscape Under the Center of the Greenland Ice Sheet

    Science.gov (United States)

    Bierman, Paul R.; Corbett, Lee B.; Graly, Joseph A.; Neumann, Thomas Allen; Lini, Andrea; Crosby, Benjamin T.; Rood, Dylan H.

    2014-01-01

    Continental ice sheets typically sculpt landscapes via erosion; under certain conditions, ancient landscapes can be preserved beneath ice and can survive extensive and repeated glaciation. We used concentrations of atmospherically produced cosmogenic beryllium-10, carbon, and nitrogen to show that ancient soil has been preserved in basal ice for millions of years at the center of the ice sheet at Summit, Greenland. This finding suggests ice sheet stability through the Pleistocene (i.e., the past 2.7 million years). The preservation of this soil implies that the ice has been non-erosive and frozen to the bed for much of that time, that there was no substantial exposure of central Greenland once the ice sheet became fully established, and that preglacial landscapes can remain preserved for long periods under continental ice sheets

  7. Reliable protein folding on non-funneled energy landscapes: the free energy reaction path

    OpenAIRE

    Lois, Gregg; Blawzdziewicz, Jerzy; O'Hern, Corey S.

    2008-01-01

    A theoretical framework is developed to study the dynamics of protein folding. The key insight is that the search for the native protein conformation is influenced by the rate r at which external parameters, such as temperature, chemical denaturant or pH, are adjusted to induce folding. A theory based on this insight predicts that (1) proteins with non-funneled energy landscapes can fold reliably to their native state, (2) reliable folding can occur as an equilibrium or out-of-equilibrium pro...

  8. Incorporating Renewable Energy Science in Regional Landscape Design: Results from a Competition in The Netherlands

    Directory of Open Access Journals (Sweden)

    Renée M. de Waal

    2015-04-01

    Full Text Available Energy transition is expected to make an important contribution to sustainable development. Although it is argued that landscape design could foster energy transition, there is scant empirical research on how practitioners approach this new challenge. The research question central to this study is: To what extent and how is renewable energy science incorporated in regional landscape design? To address this knowledge gap, a case study of a regional landscape design competition in the Netherlands, held from 2010–2012, is presented. Its focus was on integral, strategic landscape transformation with energy transition as a major theme. Content analysis of the 36 competition entries was supplemented and triangulated with a survey among the entrants, observation of the process and a study of the competition documents and website. Results indicated insufficient use of key-strategies elaborated by renewable energy science. If landscape design wants to adopt a supportive role towards energy transition, a well-informed and evidence-based approach is highly recommended. Nevertheless, promising strategies for addressing the complex process of ensuring sustainable energy transition also emerged. They include the careful cultivation of public support by developing inclusive and bottom-up processes, and balancing energy-conscious interventions with other land uses and interests.

  9. PolyUbiquitin chain linkage topology selects the functions from the underlying binding landscape.

    Directory of Open Access Journals (Sweden)

    Yong Wang

    2014-07-01

    Full Text Available Ubiquitin (Ub can generate versatile molecular signals and lead to different celluar fates. The functional poly-valence of Ub is believed to be resulted from its ability to form distinct polymerized chains with eight linkage types. To provide a full picture of ubiquitin code, we explore the binding landscape of two free Ub monomers and also the functional landscapes of of all eight linkage types by theoretical modeling. Remarkably, we found that most of the compact structures of covalently connected dimeric Ub chains (diUbs pre-exist on the binding landscape. These compact functional states were subsequently validated by corresponding linkage models. This leads to the proposal that the folding architecture of Ub monomer has encoded all functional states into its binding landscape, which is further selected by different topologies of polymeric Ub chains. Moreover, our results revealed that covalent linkage leads to symmetry breaking of interfacial interactions. We further propose that topological constraint not only limits the conformational space for effective switching between functional states, but also selects the local interactions for realizing the corresponding biological function. Therefore, the topological constraint provides a way for breaking the binding symmetry and reaching the functional specificity. The simulation results also provide several predictions that qualitatively and quantitatively consistent with experiments. Importantly, the K48 linkage model successfully predicted intermediate states. The resulting multi-state energy landscape was further employed to reconcile the seemingly contradictory experimental data on the conformational equilibrium of K48-diUb. Our results further suggest that hydrophobic interactions are dominant in the functional landscapes of K6-, K11-, K33- and K48 diUbs, while electrostatic interactions play a more important role in the functional landscapes of K27, K29, K63 and linear linkages.

  10. PolyUbiquitin chain linkage topology selects the functions from the underlying binding landscape.

    Science.gov (United States)

    Wang, Yong; Tang, Chun; Wang, Erkang; Wang, Jin

    2014-07-01

    Ubiquitin (Ub) can generate versatile molecular signals and lead to different celluar fates. The functional poly-valence of Ub is believed to be resulted from its ability to form distinct polymerized chains with eight linkage types. To provide a full picture of ubiquitin code, we explore the binding landscape of two free Ub monomers and also the functional landscapes of of all eight linkage types by theoretical modeling. Remarkably, we found that most of the compact structures of covalently connected dimeric Ub chains (diUbs) pre-exist on the binding landscape. These compact functional states were subsequently validated by corresponding linkage models. This leads to the proposal that the folding architecture of Ub monomer has encoded all functional states into its binding landscape, which is further selected by different topologies of polymeric Ub chains. Moreover, our results revealed that covalent linkage leads to symmetry breaking of interfacial interactions. We further propose that topological constraint not only limits the conformational space for effective switching between functional states, but also selects the local interactions for realizing the corresponding biological function. Therefore, the topological constraint provides a way for breaking the binding symmetry and reaching the functional specificity. The simulation results also provide several predictions that qualitatively and quantitatively consistent with experiments. Importantly, the K48 linkage model successfully predicted intermediate states. The resulting multi-state energy landscape was further employed to reconcile the seemingly contradictory experimental data on the conformational equilibrium of K48-diUb. Our results further suggest that hydrophobic interactions are dominant in the functional landscapes of K6-, K11-, K33- and K48 diUbs, while electrostatic interactions play a more important role in the functional landscapes of K27, K29, K63 and linear linkages.

  11. Energy landscape of defects in body-centered cubic metals

    International Nuclear Information System (INIS)

    Alexander, Rebecca

    2016-01-01

    20 interstitials. The experiments involving iron show that depending on the irradiation temperature, highly mobile dislocation loops of Burgers vector 1/2 or loops with Burgers vector are formed. Considering formation mechanisms under irradiation as a function of temperature, formation of the -type clusters lacked an acceptable theoretical explanation for about 50 years. In this thesis, the accuracy of our energy model enabled validation of several theories proposed in the last 50 years. In particular we have shown that the formation of loops at high temperatures can be formed from C15 clusters which may be created directly in the irradiation process. These clusters are immobile and can grow. Beyond a certain size, the C15 clusters dissociate into loops 1/2 or . We have extended our model to free energy calculation of defect formation allowing for finite temperature predictions which is further compared to atomic simulations. The laws established in this thesis using our model to calculate the free energy of formation of the cluster size functions were then used in a cluster dynamics simulation. On comparison with experiments involving post-irradiation Oswald ripening in a sample of iron exposed to an atmosphere of helium, our energy model showed significant improvements over older energy laws, such as the capillary law widely-used in multi-scale computation cluster dynamics or Monte Carlo kinetics. We conclude that the new laws established from our calculations are essential to predict the concentration of dislocation loop under irradiation, depending on their sizes. The success of such an approach encourages extension of a similar study in more complex materials. (author) [fr

  12. Golf-course and funnel energy landscapes: Protein folding concepts in martensites

    Science.gov (United States)

    Shankaraiah, N.

    2017-06-01

    We use protein folding energy landscape concepts such as golf course and funnel to study re-equilibration in athermal martensites under systematic temperature quench Monte Carlo simulations. On quenching below a transition temperature, the seeded high-symmetry parent-phase austenite that converts to the low-symmetry product-phase martensite, through autocatalytic twinning or elastic photocopying, has both rapid conversions and incubation delays in the temperature-time-transformation phase diagram. We find the rapid (incubation delays) conversions at low (high) temperatures arises from the presence of large (small) size of golf-course edge that has the funnel inside for negative energy states. In the incubating state, the strain structure factor enters into the Brillouin-zone golf course through searches for finite transitional pathways which close off at the transition temperature with Vogel-Fulcher divergences that are insensitive to Hamiltonian energy scales and log-normal distributions, as signatures of dominant entropy barriers. The crossing of the entropy barrier is identified through energy occupancy distributions, Monte Carlo acceptance fractions, heat emission, and internal work.

  13. Impacts of renewable energy on landscape. Alternative of offshore wind in marine areas

    Directory of Open Access Journals (Sweden)

    Francesca Moraci

    2014-01-01

    Full Text Available The effects determined in the landscape by plants powered by renewable sources represent some unresolved issues in terms of visual and landscape impact mitigation in general. These aspects relate to the landscape are recognized in all types of impact with due attention to the various components and dynamics involved identifiable in the landscape of reference.The wind power plants, in particular, while making unquestionable environmental benefits thanks to the production of energy from renewable sources, but imposes a significant cost to the landscape with the installation of wind turbines in contexts necessarily favorable to impact,  interrupting the skyline, creating territorial discontinuities, "subtracting" and altering the landscape in the absence of effective mitigation works.The environmental compatibility of the proposed solutions depends primarily on the location of wind farms.Is necessary indicate  an overall strategy, a shared model of planning and land management, as in other European countries such as Denmark, Germany, France and the United Kingdom where the choice of locating wind farms has resulted in a new draft territory, construction and redesign of the landscape.

  14. Is the fenamate group a polymorphophore?: contrasting the crystal energy landscapes of fenamic and tolfenamic acids

    NARCIS (Netherlands)

    Uzoh, O.G.; Cruz-Cabeza, A.J.; Price, S. L.

    2012-01-01

    The concept of a polymorphophore was investigated by contrasting the crystal energy landscapes of monomorphic fenamic acid (2-(phenylamino)-benzoic acid, FA) and one of its highly polymorphic derivatives, tolfenamic acid (2-[(3-chloro-2-methylphenyl)amino]-benzoic acid, TA). The crystal energy

  15. Linking habitat selection to fitness-related traits in herbivores: the role of the energy landscape

    Science.gov (United States)

    Ryan A. Long; R. T. Bowyer; Warren P. Porter; Paul Mathewson; Kevin L. Monteith; Scott L. Findholt; Brian L. Dick; John G. Kie

    2016-01-01

    Animals may partially overcome environmental constraints on fitness by behaviorally adjusting their exposure to costs and supplies of energy. Few studies, however, have linked spatiotemporal variation in the energy landscape to behaviorally mediated measures of performance that ostensibly influence individual fitness. We hypothesized that strength of selection by North...

  16. Physical mechanism of mind changes and tradeoffs among speed, accuracy, and energy cost in brain decision making: Landscape, flux, and path perspectives

    International Nuclear Information System (INIS)

    Yan Han; Wang Jin; Zhang Kun

    2016-01-01

    Cognitive behaviors are determined by underlying neural networks. Many brain functions, such as learning and memory, have been successfully described by attractor dynamics. For decision making in the brain, a quantitative description of global attractor landscapes has not yet been completely given. Here, we developed a theoretical framework to quantify the landscape associated with the steady state probability distributions and associated steady state curl flux, measuring the degree of non-equilibrium through the degree of detailed balance breaking for decision making. We quantified the decision-making processes with optimal paths from the undecided attractor states to the decided attractor states, which are identified as basins of attractions, on the landscape. Both landscape and flux determine the kinetic paths and speed. The kinetics and global stability of decision making are explored by quantifying the landscape topography through the barrier heights and the mean first passage time. Our theoretical predictions are in agreement with experimental observations: more errors occur under time pressure. We quantitatively explored two mechanisms of the speed-accuracy tradeoff with speed emphasis and further uncovered the tradeoffs among speed, accuracy, and energy cost. Our results imply that there is an optimal balance among speed, accuracy, and the energy cost in decision making. We uncovered the possible mechanisms of changes of mind and how mind changes improve performance in decision processes. Our landscape approach can help facilitate an understanding of the underlying physical mechanisms of cognitive processes and identify the key factors in the corresponding neural networks. (paper)

  17. Energy pricing under uncertain supply

    International Nuclear Information System (INIS)

    Serra, P.J.

    1997-01-01

    This paper introduces a new pricing system - based on the Chilean tariff regulations - to deal with an uncertain energy supply. It consists of a basic rate for each unit actually consumed and a compensation that the utilities pay their customers for each unit of energy that they voluntarily reduce below their normal consumption during an energy shortage. Within the framework of a model that portrays the stylized facts of the Chilean electric system, and assumes risk-neutral agents, this paper shows the equivalency of the new pricing system with both contingent pricing and priority pricing. (Author)

  18. The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments.

    Science.gov (United States)

    Granata, Daniele; Baftizadeh, Fahimeh; Habchi, Johnny; Galvagnion, Celine; De Simone, Alfonso; Camilloni, Carlo; Laio, Alessandro; Vendruscolo, Michele

    2015-10-26

    The free energy landscape theory has been very successful in rationalizing the folding behaviour of globular proteins, as this representation provides intuitive information on the number of states involved in the folding process, their populations and pathways of interconversion. We extend here this formalism to the case of the Aβ40 peptide, a 40-residue intrinsically disordered protein fragment associated with Alzheimer's disease. By using an advanced sampling technique that enables free energy calculations to reach convergence also in the case of highly disordered states of proteins, we provide a precise structural characterization of the free energy landscape of this peptide. We find that such landscape has inverted features with respect to those typical of folded proteins. While the global free energy minimum consists of highly disordered structures, higher free energy regions correspond to a large variety of transiently structured conformations with secondary structure elements arranged in several different manners, and are not separated from each other by sizeable free energy barriers. From this peculiar structure of the free energy landscape we predict that this peptide should become more structured and not only more compact, with increasing temperatures, and we show that this is the case through a series of biophysical measurements.

  19. Control of the Effective Free-Energy Landscape in a Frustrated Magnet by a Field Pulse

    Science.gov (United States)

    Wan, Yuan; Moessner, Roderich

    2017-10-01

    Thermal fluctuations can lift the degeneracy of a ground state manifold, producing a free-energy landscape without accidentally degenerate minima. In a process known as order by disorder, a subset of states incorporating symmetry breaking may be selected. Here, we show that such a free-energy landscape can be controlled in a nonequilibrium setting as the slow motion within the ground state manifold is governed by the fast modes out of it. For the paradigmatic case of the classical pyrochlore X Y antiferromagnet, we show that a uniform magnetic field pulse can excite these fast modes to generate a tunable effective free-energy landscape with minima at thermodynamically unstable portions of the ground state manifold.

  20. Uncovering the underlying physical mechanisms of biological systems via quantification of landscape and flux

    International Nuclear Information System (INIS)

    Xu Li; Chu Xiakun; Yan Zhiqiang; Zheng Xiliang; Zhang Kun; Zhang Feng; Yan Han; Wu Wei; Wang Jin

    2016-01-01

    In this review, we explore the physical mechanisms of biological processes such as protein folding and recognition, ligand binding, and systems biology, including cell cycle, stem cell, cancer, evolution, ecology, and neural networks. Our approach is based on the landscape and flux theory for nonequilibrium dynamical systems. This theory provides a unifying principle and foundation for investigating the underlying mechanisms and physical quantification of biological systems. (topical review)

  1. The forgotten D : challenges of addressing forest degradation in complex mosaic landscapes under REDD

    OpenAIRE

    Mertz, O.; Muller, D.; Sikor, T.; Hett, C.; Heinimann, A.; Castella, Jean-Christophe; Lestrelin, Guillaume; Ryan, C. M.; Reay, D. S.; Schmidt-Vogt, D.; Danielsen, F.; Theilade, I.; van Noordwijk, M.; Verchot, L. V.; Burgess, N. D.

    2012-01-01

    International climate negotiations have stressed the importance of considering emissions from forest degradation under the planned REDD+ (Reducing Emissions from Deforestation and forest Degradation + enhancing forest carbon stocks) mechanism. However, most research, pilot-REDD+ projects and carbon certification agencies have focused on deforestation and there appears to be a gap in knowledge on complex mosaic landscapes containing degraded forests, smallholder agriculture, agroforestry and p...

  2. Frustration in the energy landscapes of multidomain protein misfolding.

    Science.gov (United States)

    Zheng, Weihua; Schafer, Nicholas P; Wolynes, Peter G

    2013-01-29

    Frustration from strong interdomain interactions can make misfolding a more severe problem in multidomain proteins than in single-domain proteins. On the basis of bioinformatic surveys, it has been suggested that lowering the sequence identity between neighboring domains is one of nature's solutions to the multidomain misfolding problem. We investigate folding of multidomain proteins using the associative-memory, water-mediated, structure and energy model (AWSEM), a predictive coarse-grained protein force field. We find that reducing sequence identity not only decreases the formation of domain-swapped contacts but also decreases the formation of strong self-recognition contacts between β-strands with high hydrophobic content. The ensembles of misfolded structures that result from forming these amyloid-like interactions are energetically disfavored compared with the native state, but entropically favored. Therefore, these ensembles are more stable than the native ensemble under denaturing conditions, such as high temperature. Domain-swapped contacts compete with self-recognition contacts in forming various trapped states, and point mutations can shift the balance between the two types of interaction. We predict that multidomain proteins that lack these specific strong interdomain interactions should fold reliably.

  3. Another possible energy landscape; Un autre paysage energetique possible

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-06-01

    This analysis presents the national energy balances from the national energy accounting. The first part presents the accounting analysis on the electric power consumption and production in France. The second part deals with the global energy accounting, for the energy sources and utilization, together. From these analysis the authors show how the global energy efficiency of production and utilization is possible. Solutions allowing the reduction of the non renewable energies consumption and solution for the nuclear power phaseout are also proposed. (A.L.B.)

  4. Exploring the free energy landscape: from dynamics to networks and back.

    Directory of Open Access Journals (Sweden)

    Diego Prada-Gracia

    2009-06-01

    Full Text Available Knowledge of the Free Energy Landscape topology is the essential key to understanding many biochemical processes. The determination of the conformers of a protein and their basins of attraction takes a central role for studying molecular isomerization reactions. In this work, we present a novel framework to unveil the features of a Free Energy Landscape answering questions such as how many meta-stable conformers there are, what the hierarchical relationship among them is, or what the structure and kinetics of the transition paths are. Exploring the landscape by molecular dynamics simulations, the microscopic data of the trajectory are encoded into a Conformational Markov Network. The structure of this graph reveals the regions of the conformational space corresponding to the basins of attraction. In addition, handling the Conformational Markov Network, relevant kinetic magnitudes as dwell times and rate constants, or hierarchical relationships among basins, completes the global picture of the landscape. We show the power of the analysis studying a toy model of a funnel-like potential and computing efficiently the conformers of a short peptide, dialanine, paving the way to a systematic study of the Free Energy Landscape in large peptides.

  5. Energy network dispatch optimization under emergency of local energy shortage

    International Nuclear Information System (INIS)

    Cai, Tianxing; Zhao, Chuanyu; Xu, Qiang

    2012-01-01

    The consequence of short-time energy shortage under extreme conditions, such as earthquake, tsunami, and hurricane, may cause local areas to suffer from delayed rescues, widespread power outages, tremendous economic losses, and even public safety threats. In such urgent events of local energy shortage, agile energy dispatching through an effective energy transportation network, targeting the minimum energy recovery time, should be a top priority. In this paper, a novel methodology is developed for energy network dispatch optimization under emergency of local energy shortage, which includes four stages of work. First, emergency-area-centered energy network needs to be characterized, where the capacity, quantity, and availability of various energy sources are determined. Second, the energy initial situation under emergency conditions needs to be identified. Then, the energy dispatch optimization is conducted based on a developed MILP (mixed-integer linear programming) model in the third stage. Finally, the sensitivity of the minimum dispatch time with respect to uncertainty parameters is characterized by partitioning the entire space of uncertainty parameters into multiple subspaces. The efficacy of the developed methodology is demonstrated via a case study with in-depth discussions. -- Highlights: ► Address the energy network dispatch problem under emergency of local energy shortage. ► Minimize the energy restoration time for the entire energy network under emergency events. ► Develop a new MILP model and a sensitivity analysis method with respect to uncertainties.

  6. Deciphering hierarchical features in the energy landscape of adenylate kinase folding/unfolding

    Science.gov (United States)

    Taylor, J. Nicholas; Pirchi, Menahem; Haran, Gilad; Komatsuzaki, Tamiki

    2018-03-01

    Hierarchical features of the energy landscape of the folding/unfolding behavior of adenylate kinase, including its dependence on denaturant concentration, are elucidated in terms of single-molecule fluorescence resonance energy transfer (smFRET) measurements in which the proteins are encapsulated in a lipid vesicle. The core in constructing the energy landscape from single-molecule time-series across different denaturant concentrations is the application of rate-distortion theory (RDT), which naturally considers the effects of measurement noise and sampling error, in combination with change-point detection and the quantification of the FRET efficiency-dependent photobleaching behavior. Energy landscapes are constructed as a function of observation time scale, revealing multiple partially folded conformations at small time scales that are situated in a superbasin. As the time scale increases, these denatured states merge into a single basin, demonstrating the coarse-graining of the energy landscape as observation time increases. Because the photobleaching time scale is dependent on the conformational state of the protein, possible nonequilibrium features are discussed, and a statistical test for violation of the detailed balance condition is developed based on the state sequences arising from the RDT framework.

  7. Jointly optimizing selection of fuel treatments and siting of forest biomass-based energy production facilities for landscape-scale fire hazard reduction.

    Science.gov (United States)

    Peter J. Daugherty; Jeremy S. Fried

    2007-01-01

    Landscape-scale fuel treatments for forest fire hazard reduction potentially produce large quantities of material suitable for biomass energy production. The analytic framework FIA BioSum addresses this situation by developing detailed data on forest conditions and production under alternative fuel treatment prescriptions, and computes haul costs to alternative sites...

  8. Direct design of an energy landscape with bistable DNA origami mechanisms.

    Science.gov (United States)

    Zhou, Lifeng; Marras, Alexander E; Su, Hai-Jun; Castro, Carlos E

    2015-03-11

    Structural DNA nanotechnology provides a feasible technique for the design and fabrication of complex geometries even exhibiting controllable dynamic behavior. Recently we have demonstrated the possibility of implementing macroscopic engineering design approaches to construct DNA origami mechanisms (DOM) with programmable motion and tunable flexibility. Here, we implement the design of compliant DNA origami mechanisms to extend from prescribing motion to prescribing an energy landscape. Compliant mechanisms facilitate motion via deformation of components with tunable stiffness resulting in well-defined mechanical energy stored in the structure. We design, fabricate, and characterize a DNA origami nanostructure with an energy landscape defined by two stable states (local energy minima) separated by a designed energy barrier. This nanostructure is a four-bar bistable mechanism with two undeformed states. Traversing between those states requires deformation, and hence mechanical energy storage, in a compliant arm of the linkage. The energy barrier for switching between two states was obtained from the conformational distribution based on a Boltzmann probability function and closely follows a predictive mechanical model. Furthermore, we demonstrated the ability to actuate the mechanism into one stable state via additional DNA inputs and then release the actuation via DNA strand displacement. This controllable multistate system establishes a foundation for direct design of energy landscapes that regulate conformational dynamics similar to biomolecular complexes.

  9. Free-energy landscape of protein oligomerization from atomistic simulations

    Science.gov (United States)

    Barducci, Alessandro; Bonomi, Massimiliano; Prakash, Meher K.; Parrinello, Michele

    2013-01-01

    In the realm of protein–protein interactions, the assembly process of homooligomers plays a fundamental role because the majority of proteins fall into this category. A comprehensive understanding of this multistep process requires the characterization of the driving molecular interactions and the transient intermediate species. The latter are often short-lived and thus remain elusive to most experimental investigations. Molecular simulations provide a unique tool to shed light onto these complex processes complementing experimental data. Here we combine advanced sampling techniques, such as metadynamics and parallel tempering, to characterize the oligomerization landscape of fibritin foldon domain. This system is an evolutionarily optimized trimerization motif that represents an ideal model for experimental and computational mechanistic studies. Our results are fully consistent with previous experimental nuclear magnetic resonance and kinetic data, but they provide a unique insight into fibritin foldon assembly. In particular, our simulations unveil the role of nonspecific interactions and suggest that an interplay between thermodynamic bias toward native structure and residual conformational disorder may provide a kinetic advantage. PMID:24248370

  10. Designing sustainable energy landscapes : concepts, principles and procedures

    NARCIS (Netherlands)

    Stremke, S.

    2010-01-01

    The depletion of fossil fuels, in combination with climate change, necessitates a transition to sustainable energy systems. Such systems are characterized by a decreased energy demand and an increase in the use of renewables. The objective of this dissertation is to advance the planning and design

  11. Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation.

    Science.gov (United States)

    Iida, Shinji; Nakamura, Haruki; Higo, Junichi

    2016-06-15

    We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein-protein or protein-ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, where the biomolecules are treated as flexible molecules expressed by an all-atom model in an explicit solvent. Sampling produces an ensemble of conformations (snapshots) that are thermodynamically probable at room temperature. Then, projection of those conformations to an abstract low-dimensional space generates a free-energy landscape. As an example, we show a landscape of homo-dimer formation of an endothelin-1-like molecule computed using a generalized ensemble method. The lowest free-energy cluster at room temperature coincided precisely with the experimentally determined complex structure. Two minor clusters were also found in the landscape, which were largely different from the native complex form. Although those clusters were isolated at room temperature, with rising temperature a pathway emerged linking the lowest and second-lowest free-energy clusters, and a further temperature increment connected all the clusters. This exemplifies that the generalized ensemble method is a powerful tool for computing the free-energy landscape, by which one can discuss the thermodynamic stability of clusters and the temperature dependence of the cluster networks. © 2016 The Author(s).

  12. Relaxation height in energy landscapes : an application to multiple metastable states

    NARCIS (Netherlands)

    Cirillo, E.N.M.; Nardi, F.R.

    2012-01-01

    The study of systems with multiple (not necessarily degenerate) metastable states presents subtle difficulties from the mathematical point of view related to the variational problem that has to be solved in these cases. We introduce the notion of relaxation height in a general energy landscape and

  13. Probing the Free Energy Landscape of the FBP28 WW Domain Using Multiple Techniques

    NARCIS (Netherlands)

    Periole, Xavier; Allen, Lucy R.; Tamiola, Kamil; Mark, Alan E.; Paci, Emanuele

    The free-energy landscape of a small protein, the FBP 28 WW domain, has been explored using molecular dynamics (MD) simulations with alternative descriptions of the molecule. The molecular models used range from coarse-grained to all-atom with either an implicit or explicit treatment of the solvent.

  14. Energy provision under Obama administration

    Energy Technology Data Exchange (ETDEWEB)

    Gale, J. [IEA Greenhouse Gas R & D Programme, Cheltenham (United Kingdom)

    2009-03-15

    The new bill before the Senate, the American Recovery and Reinvestment Act of 2009, allows for an additional amount for 'Fossil Energy Research and Development' of $4.6 billion, to be available until 30 September 2010 and that $2 billion of that is available for one or more near zero emissions power plant(s). Two further provisions allow for an additional $1 billion for the Department's Clean Coal Power Initiative Round III and a further $1.5 billion for a competitive solicitations for projects that demonstrate carbon capture from industrial sources. Awards for such projects may include plant efficiency improvements for integration with carbon capture technology. The press seems to be divided whether this money will help revive the FutureGen project. The financial commitment should help the G8 achieve its objective of seeing 20 CCS demonstration projects around the world by 2020. An economic stimulus package proposed by the incoming Barack Obama administration include $150 billion to be spent over 10 years to spur next generation biofuels, plug in hybrid vehicles, a new digital electrical grid and new low emission coal plants. The proposal is intended to create jobs and address critical infrastructure in the US.

  15. Conjugate gradient filtering of instantaneous normal modes, saddles on the energy landscape, and diffusion in liquids.

    Science.gov (United States)

    Chowdhary, J; Keyes, T

    2002-02-01

    Instantaneous normal modes (INM's) are calculated during a conjugate-gradient (CG) descent of the potential energy landscape, starting from an equilibrium configuration of a liquid or crystal. A small number (approximately equal to 4) of CG steps removes all the Im-omega modes in the crystal and leaves the liquid with diffusive Im-omega which accurately represent the self-diffusion constant D. Conjugate gradient filtering appears to be a promising method, applicable to any system, of obtaining diffusive modes and facilitating INM theory of D. The relation of the CG-step dependent INM quantities to the landscape and its saddles is discussed.

  16. From Extraction of Local Structures of Protein Energy Landscapes to Improved Decoy Selection in Template-Free Protein Structure Prediction.

    Science.gov (United States)

    Akhter, Nasrin; Shehu, Amarda

    2018-01-19

    Due to the essential role that the three-dimensional conformation of a protein plays in regulating interactions with molecular partners, wet and dry laboratories seek biologically-active conformations of a protein to decode its function. Computational approaches are gaining prominence due to the labor and cost demands of wet laboratory investigations. Template-free methods can now compute thousands of conformations known as decoys, but selecting native conformations from the generated decoys remains challenging. Repeatedly, research has shown that the protein energy functions whose minima are sought in the generation of decoys are unreliable indicators of nativeness. The prevalent approach ignores energy altogether and clusters decoys by conformational similarity. Complementary recent efforts design protein-specific scoring functions or train machine learning models on labeled decoys. In this paper, we show that an informative consideration of energy can be carried out under the energy landscape view. Specifically, we leverage local structures known as basins in the energy landscape probed by a template-free method. We propose and compare various strategies of basin-based decoy selection that we demonstrate are superior to clustering-based strategies. The presented results point to further directions of research for improving decoy selection, including the ability to properly consider the multiplicity of native conformations of proteins.

  17. From Extraction of Local Structures of Protein Energy Landscapes to Improved Decoy Selection in Template-Free Protein Structure Prediction

    Directory of Open Access Journals (Sweden)

    Nasrin Akhter

    2018-01-01

    Full Text Available Due to the essential role that the three-dimensional conformation of a protein plays in regulating interactions with molecular partners, wet and dry laboratories seek biologically-active conformations of a protein to decode its function. Computational approaches are gaining prominence due to the labor and cost demands of wet laboratory investigations. Template-free methods can now compute thousands of conformations known as decoys, but selecting native conformations from the generated decoys remains challenging. Repeatedly, research has shown that the protein energy functions whose minima are sought in the generation of decoys are unreliable indicators of nativeness. The prevalent approach ignores energy altogether and clusters decoys by conformational similarity. Complementary recent efforts design protein-specific scoring functions or train machine learning models on labeled decoys. In this paper, we show that an informative consideration of energy can be carried out under the energy landscape view. Specifically, we leverage local structures known as basins in the energy landscape probed by a template-free method. We propose and compare various strategies of basin-based decoy selection that we demonstrate are superior to clustering-based strategies. The presented results point to further directions of research for improving decoy selection, including the ability to properly consider the multiplicity of native conformations of proteins.

  18. The relative importance of physical and biological energy in landscape evolution

    Science.gov (United States)

    Turowski, J. M.; Schwanghart, W.

    2017-12-01

    Landscapes are formed by the interplay of uplift and geomorphic processes, including interacting and competing physical and biological processes. For example, roots re-inforce soil and thereby stabilize hillslopes and the canopy cover of the forest may mediate the impact of precipitation. Furthermore, plants and animals act as geomorphic agents, directly altering landscape response and dynamics by their actions: tree roots may crack rocks, thus changing subsurface water flows and exposing fresh material for denudation; fungi excrete acids that accelerate rates of chemical weathering, and burrowing animals displace soil and rocks while digging holes for shelter or in search of food. Energetically, landscapes can be viewed as open systems in which topography stores potential energy above a base level. Tectonic processes add energy to the system by uplift and mechanically altering rock properties. Especially in unvegetated regions, erosion and transport by wind can be an important geomorphic process. Advection of atmospheric moisture in high altitudes provides potential energy that is converted by water fluxes through catchments. At the same time, the conversion of solar energy through atmospheric and biological processes drives primary production of living organisms. If we accept that biota influence geomorphic processes, then what is their energetic contribution to landscape evolution relative to physical processes? Using two case studies, we demonstrate that all components of energy input are negligible apart from biological production, quantified by net primary productivity (NPP) and potential energy conversion by water that is placed high up in the landscape as rainfall and leaves it as runoff. Assuming that the former is representative for biological energy and the latter for physical energy, we propose that the ratio of these two values can be used as a proxy for the relative importance of biological and physical processes in landscape evolution. All necessary

  19. The Landscape of Renewable Energies in Europe in 2030

    International Nuclear Information System (INIS)

    Cruciani, Michel

    2017-06-01

    The study analyses the European rules designed to promote renewable energy, highlighting their innovations and the difficulties they will raise. The study highlights the consequences of some of the measures envisaged and pays particular attention to the electricity market. On 30 November 2016, the European Commission issued a new set of proposals, the 'Clean Energy Package', covering a wide spectrum of activities. This study analyses the provisions of this package which aim at improving energy efficiency by 30% and giving renewable energy a share of 27% of consumption by 2030. In 2014, Member States had called for these objectives to be assessed for the entire European Union. Nevertheless the Commission wishes to obtain a mandate to check that each State makes an honest contribution to the collective effort. The study stresses that the 30% target for energy efficiency weakens the role of the CO_2 market. The simulations reveal that this weakness will benefit coal, which keeps in 2030 a higher share than it would have occupied with a target of 27%, whereas natural gas is penalized by a low CO_2 price. It also appears that by remaining too low, the price of CO_2 will discourage certain investments in favour of renewable energies that would have naturally emerged with a high price. Therefore it will be necessary to roll out costly public policies to trigger these investments, so that the share of these energies totals 27% by 2030. The simulations also show that the renewable energy target will be largely achieved through very rapid growth of wind and solar power. The proposals of 30 November 2016 hence are drafted to encourage the development of these two sectors by reforming the electricity market so that it establishes a price that is remunerative and reduces the need for public aid, while clearly reflecting the burdens generated by the different actors. It seems unlikely that the Member States will accept such a profound market reform as the Commission envisages

  20. Global optimization of proteins using a dynamical lattice model: Ground states and energy landscapes

    OpenAIRE

    Dressel, F.; Kobe, S.

    2004-01-01

    A simple approach is proposed to investigate the protein structure. Using a low complexity model, a simple pairwise interaction and the concept of global optimization, we are able to calculate ground states of proteins, which are in agreement with experimental data. All possible model structures of small proteins are available below a certain energy threshold. The exact lowenergy landscapes for the trp cage protein (1L2Y) is presented showing the connectivity of all states and energy barriers.

  1. Energy Landscape of Pentapeptides in a Higher-Order (ϕ,ψ Conformational Subspace

    Directory of Open Access Journals (Sweden)

    Karim M. ElSawy

    2016-01-01

    Full Text Available The potential energy landscape of pentapeptides was mapped in a collective coordinate principal conformational subspace derived from principal component analysis of a nonredundant representative set of protein structures from the PDB. Three pentapeptide sequences that are known to be distinct in terms of their secondary structure characteristics, (Ala5, (Gly5, and Val.Asn.Thr.Phe.Val, were considered. Partitioning the landscapes into different energy valleys allowed for calculation of the relative propensities of the peptide secondary structures in a statistical mechanical framework. The distribution of the observed conformations of pentapeptide data showed good correspondence to the topology of the energy landscape of the (Ala5 sequence where, in accord with reported trends, the α-helix showed a predominant propensity at 298 K. The topography of the landscapes indicates that the stabilization of the α-helix in the (Ala5 sequence is enthalpic in nature while entropic factors are important for stabilization of the β-sheet in the Val.Asn.Thr.Phe.Val sequence. The results indicate that local interactions within small pentapeptide segments can lead to conformational preference of one secondary structure over the other where account of conformational entropy is important in order to reveal such preference. The method, therefore, can provide critical structural information for ab initio protein folding methods.

  2. Energy sustainability under the framework of telecoupling

    International Nuclear Information System (INIS)

    Fang, Baling; Tan, Yi; Li, Canbing; Cao, Yijia; Liu, Jianguo; Schweizer, Pia-Johanna; Shi, Haiqing; Zhou, Bin; Chen, Hao; Hu, Zhuangli

    2016-01-01

    Energy systems, which include energy production, conversion, transportation, distribution and utilization, are key infrastructures in modern society. Interactions among energy systems are generally studied under the framework of energy trade. Although such studies have generated important insights, there are limitations. Many distant interactions (e.g. those due to the Fukushima nuclear crisis) are not in the form of trade, but affect energy sustainability. Even when distant interactions are related to energy trade, they are not systematically analyzed. Environmental impacts of trade are often not integrated with economic analysis of trade. In this paper, to identify and fill important knowledge gaps, we apply an integrated framework of telecoupling (socioeconomic and environmental interactions over distances). The framework of telecoupling, which is more comprehensive and cross-disciplinary than the energy trade framework, is a useful theoretical and methodological tool for analyzing distant interactions among coupled human and natural systems (including energy systems). Telecouplings widely exist in energy systems with various forms and link energy sustainability of different countries closely, so we proposed some methods for energy sustainability analysis under the framework of telecoupling. From the aspect of causes, a method is proposed to judge whether the telecoupling driven by economic factors is conducive to energy sustainability. From the aspect of effects, a method is proposed to assess whether an event is conducive to energy sustainability. The telecoupling framework presents opportunities for more profound and comprehensive understanding of energy sustainability. - Highlights: • A new perspective to study energy sustainability under telecoupling is proposed. • Methods for assessing the causes and effects of energy sustainability are proposed. • Some specific examples of telecoupling in the energy systems are demonstrated.

  3. Calculation of the Local Free Energy Landscape in the Restricted Region by the Modified Tomographic Method.

    Science.gov (United States)

    Chen, Changjun

    2016-03-31

    The free energy landscape is the most important information in the study of the reaction mechanisms of the molecules. However, it is difficult to calculate. In a large collective variable space, a molecule must take a long time to obtain the sufficient sampling during the simulation. To save the calculation quantity, decreasing the sampling region and constructing the local free energy landscape is required in practice. However, the restricted region in the collective variable space may have an irregular shape. Simply restricting one or more collective variables of the molecule cannot satisfy the requirement. In this paper, we propose a modified tomographic method to perform the simulation. First, it divides the restricted region by some hyperplanes and connects the centers of hyperplanes together by a curve. Second, it forces the molecule to sample on the curve and the hyperplanes in the simulation and calculates the free energy data on them. Finally, all the free energy data are combined together to form the local free energy landscape. Without consideration of the area outside the restricted region, this free energy calculation can be more efficient. By this method, one can further optimize the path quickly in the collective variable space.

  4. Pollution Under Environmental Regulation in Energy Markets

    CERN Document Server

    Gullì, Francesco

    2013-01-01

    Pollution Under Environmental Regulation in Energy Markets provides a study of environmental regulation when energy markets are imperfectly competitive. This theoretical treatment focuses on three relevant cases of energy markets. First, the residential space heating sector where hybrid regulation such as taxation and emissions trading together are possible. Second, the electricity market where transactions are organized in the form of multi-period auctions. Third, namely natural gas (input) and electricity (output) markets where there is combined imperfect competition in vertical related energy markets.   The development of free or low carbon technologies supported by energy policies, aiming at increasing security of supply, is also explored whilst considering competition policies that reduce market power in energy markets thus improving market efficiency. Pollution Under Environmental Regulation in Energy Markets discusses the key issues of whether imperfect competition can lessen the ability of environmen...

  5. Low Energy Supersymmetry from the Heterotic String Landscape

    CERN Document Server

    Lebedev, O; Raby, S; Ramos-Sanchez, S; Ratz, M; Vaudrevange, P K S; Wingerter, A; Lebedev, Oleg; Nilles, Hans-Peter; Raby, Stuart; Ramos-Sanchez, Saul; Ratz, Michael; Vaudrevange, Patrick K. S.; Wingerter, Akin

    2007-01-01

    We study possible correlations between properties of the observable and hidden sectors in heterotic string theory. Specifically, we analyze the case of the Z6-II orbifold compactification which produces a significant number of models with the spectrum of the supersymmetric standard model. We find that requiring realistic features does affect the hidden sector such that hidden sector gauge group factors SU(4) and SO(8) are favoured. In the context of gaugino condensation, this implies low energy supersymmetry breaking.

  6. Landscape management for sustainable supplies of bio energy feedstock and enhanced soil quality

    International Nuclear Information System (INIS)

    Douglas, K.; Muth, D.

    2013-01-01

    Agriculture can simultaneously address global food, feed, fiber, and energy challenges provided our soil, water, and air resources are not compromised in doing so. Our objective is to present a landscape management concept as an approach for integrating multiple bio energy feedstock sources into current crop production systems. This is done to show how multiple, increasing global challenges can be met in a sustainable manner. We discuss how collaborative research among Usda-Agricultural Research Service (ARS), US Department of Energy (DOE) Idaho National Laboratory (INL), several university extension and research partners, and industry representatives [known as the Renewable Energy Assessment Project (Reap) team] has led to the development of computer-based decision aids for guiding sustainable bio energy feedstock production. The decision aids, known initially as the Corn Stover Tool and more recently as the Landscape Environmental Assessment Framework (Leaf) are tools designed to recognize the importance of nature s diversity and can therefore be used to guide sustainable feedstock production without having negative impacts on critical ecosystem services. Using a 57 ha farm site in central Iowa, USA, we show how producer decisions regarding corn (Zea mays L.) stover harvest within the US Corn Belt can be made in a more sustainable manner. This example also supports Reap team conclusions that stover should not be harvested if average grain yields are less than 11 Mg ha-1 unless more balanced landscape management practices are implemented. The tools also illustrate the importance of sub-field management and site-specific stover harvest strategies

  7. Modeling energy fluxes in heterogeneous landscapes employing a mosaic approach

    Science.gov (United States)

    Klein, Christian; Thieme, Christoph; Priesack, Eckart

    2015-04-01

    Recent studies show that uncertainties in regional and global climate and weather simulations are partly due to inadequate descriptions of the energy flux exchanges between the land surface and the atmosphere. One major shortcoming is the limitation of the grid-cell resolution, which is recommended to be about at least 3x3 km² in most models due to limitations in the model physics. To represent each individual grid cell most models select one dominant soil type and one dominant land use type. This resolution, however, is often too coarse in regions where the spatial diversity of soil and land use types are high, e.g. in Central Europe. An elegant method to avoid the shortcoming of grid cell resolution is the so called mosaic approach. This approach is part of the recently developed ecosystem model framework Expert-N 5.0. The aim of this study was to analyze the impact of the characteristics of two managed fields, planted with winter wheat and potato, on the near surface soil moistures and on the near surface energy flux exchanges of the soil-plant-atmosphere interface. The simulated energy fluxes were compared with eddy flux tower measurements between the respective fields at the research farm Scheyern, North-West of Munich, Germany. To perform these simulations, we coupled the ecosystem model Expert-N 5.0 to an analytical footprint model. The coupled model system has the ability to calculate the mixing ratio of the surface energy fluxes at a given point within one grid cell (in this case at the flux tower between the two fields). This approach accounts for the differences of the two soil types, of land use managements, and of canopy properties due to footprint size dynamics. Our preliminary simulation results show that a mosaic approach can improve modeling and analyzing energy fluxes when the land surface is heterogeneous. In this case our applied method is a promising approach to extend weather and climate models on the regional and on the global scale.

  8. Renewable energy policy and landscape management in Andalusia, Spain: The facts

    International Nuclear Information System (INIS)

    Prados, Maria-Jose

    2010-01-01

    Renewable energy has developed spectacularly in Spain since the European Union started a process of energy policy reform. A review of Spanish State legislation on renewable energies confirms that the success in installing renewable energy is attributable to public aid. Andalusia is one of the autonomous communities, which has simultaneously developed the legal framework and very successfully implemented the introduction of renewable power. When implementing the central government's policy, the Andalusian regional government prioritised increases in both surface cover by wind and solar plants (thermal and photovoltaic energy) and in the number of companies involved. However, this development of renewable energies took place without any proper integration into regional spatial and landscape planning. This paper explores renewable power implementation in Andalusia through regulatory measures put in place over the last decade to develop renewable energy systems and the way they can be managed alongside planning issues. The location of large-scale renewable plants has had consequences for territory in the socio-political context of renewable energy promotion. The main findings focus on renewable energy plant sprawl throughout rural areas in Andalusia with no clear effect on landscape management and no firm backing from the local population.

  9. Free Energy Landscapes of Alanine Oligopeptides in Rigid-Body and Hybrid Water Models.

    Science.gov (United States)

    Nayar, Divya; Chakravarty, Charusita

    2015-08-27

    Replica exchange molecular dynamics is used to study the effect of different rigid-body (mTIP3P, TIP4P, SPC/E) and hybrid (H1.56, H3.00) water models on the conformational free energy landscape of the alanine oligopeptides (acAnme and acA5nme), in conjunction with the CHARMM22 force field. The free energy landscape is mapped out as a function of the Ramachandran angles. In addition, various secondary structure metrics, solvation shell properties, and the number of peptide-solvent hydrogen bonds are monitored. Alanine dipeptide is found to have similar free energy landscapes in different solvent models, an insensitivity which may be due to the absence of possibilities for forming i-(i + 4) or i-(i + 3) intrapeptide hydrogen bonds. The pentapeptide, acA5nme, where there are three intrapeptide backbone hydrogen bonds, shows a conformational free energy landscape with a much greater degree of sensitivity to the choice of solvent model, though the three rigid-body water models differ only quantitatively. The pentapeptide prefers nonhelical, non-native PPII and β-sheet populations as the solvent is changed from SPC/E to the less tetrahedral liquid (H1.56) to an LJ-like liquid (H3.00). The pentapeptide conformational order metrics indicate a preference for open, solvent-exposed, non-native structures in hybrid solvent models at all temperatures of study. The possible correlations between the properties of solvent models and secondary structure preferences of alanine oligopeptides are discussed, and the competition between intrapeptide, peptide-solvent, and solvent-solvent hydrogen bonding is shown to be crucial in the relative free energies of different conformers.

  10. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films.

    Science.gov (United States)

    Kim, Tae Heon; Yoon, Jong-Gul; Baek, Seung Hyub; Park, Woong-kyu; Yang, Sang Mo; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Noh, Tae Won

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  11. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films

    Science.gov (United States)

    Heon Kim, Tae; Yoon, Jong-Gul; Hyub Baek, Seung; Park, Woong-Kyu; Mo Yang, Sang; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Won Noh, Tae

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  12. Relationship between energy systems and landscapes. Guidelines and tools for design and management

    Directory of Open Access Journals (Sweden)

    Elisabetta Ginelli

    2014-10-01

    Full Text Available Landscapes undergoing conservation, valorisation, management and reconstruction policies, become a fundamental factor for the local/global development of natural, cultural, human and social potentials of territories. With the contribution of technological design culture, the research, having a strong multidisciplinary character, focuses on managing the relationship between energy systems and landscapes with the general aim of subverting and transforming apparent conflicts in synergies, in order to overcome a sectorial and segmented approach barely based on energy performances. Through the introduction of a complex multidimensional methodology of analysis and evaluation the goal of this work, is to develop standards of acceptability, meta-design criteria and guidelines for design, intro- ducing a methodology for multidimen- sional complex analysis and evaluation, to support Public Authorities.

  13. Autonomously folding protein fragments reveal differences in the energy landscapes of homologous RNases H.

    Directory of Open Access Journals (Sweden)

    Laura E Rosen

    Full Text Available An important approach to understanding how a protein sequence encodes its energy landscape is to compare proteins with different sequences that fold to the same general native structure. In this work, we compare E. coli and T. thermophilus homologs of the protein RNase H. Using protein fragments, we create equilibrium mimics of two different potential partially-folded intermediates (I(core and I(core+1 hypothesized to be present on the energy landscapes of these two proteins. We observe that both T. thermophilus RNase H (ttRNH fragments are folded and have distinct stabilities, indicating that both regions are capable of autonomous folding and that both intermediates are present as local minima on the ttRNH energy landscape. In contrast, the two E. coli RNase H (ecRNH fragments have very similar stabilities, suggesting that the presence of additional residues in the I(core+1 fragment does not affect the folding or structure as compared to I(core. NMR experiments provide additional evidence that only the I(core intermediate is populated by ecRNH. This is one of the biggest differences that has been observed between the energy landscapes of these two proteins. Additionally, we used a FRET experiment in the background of full-length ttRNH to specifically monitor the formation of the I(core+1 intermediate. We determine that the ttRNH I(core+1 intermediate is likely the intermediate populated prior to the rate-limiting barrier to global folding, in contrast to E. coli RNase H for which I(core is the folding intermediate. This result provides new insight into the nature of the rate-limiting barrier for the folding of RNase H.

  14. Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch

    Science.gov (United States)

    Cragnolini, Tristan; Chakraborty, Debayan; Šponer, Jiří; Derreumaux, Philippe; Pasquali, Samuela; Wales, David J.

    2017-10-01

    We explore the energy landscape for a four-fold telomere repeat, obtaining interconversion pathways between six experimentally characterised G-quadruplex topologies. The results reveal a multi-funnel system, with a variety of intermediate configurations and misfolded states. This organisation is identified with the intrinsically multi-functional nature of the system, suggesting a new paradigm for the classification of such biomolecules and clarifying issues regarding apparently conflicting experimental results.

  15. A new approach to quantify semiochemical effects on insects based on energy landscapes.

    Directory of Open Access Journals (Sweden)

    Rory P Wilson

    Full Text Available Our ability to document insect preference for semiochemicals is pivotal in pest control as these agents can improve monitoring and be deployed within integrated pest management programmes for more efficacious control of pest species. However, methods used to date have drawbacks that limit their utility. We present and test a new concept for determining insect motivation to move towards, or away from, semiochemicals by noting direction and speed of movement as animals work against a defined energy landscape (environmentally dependent variation in the cost of transport requiring different powers to negotiate. We conducted trials with the pine weevils Hylobius abietis and peach-potato aphids Myzus persicae exposed to various attractants and repellents and placed so that they either moved up defined slopes against gravity or had to travel over variously rough surfaces.Linear Mixed Models demonstrated clear reductions in travel speed by insects moving along increasingly energetically taxing energy landscapes but also that responses varied according to different semiochemicals, thus highlighting the value of energy landscapes as a new concept to help measure insect motivation to access or avoid different attractants or repellents across individuals.New sensitive, detailed indicators of insect motivation derived from this approach should prove important in pest control across the world.

  16. Evidence and opportunities for integrating landscape ecology into natural resource planning across multiple-use landscapes

    Science.gov (United States)

    Trammel, E. Jamie; Carter, Sarah; Haby, Travis S.; Taylor, Jason J.

    2018-01-01

    Enhancing natural resource management has been a focus of landscape ecology since its inception, but numerous authors argue that landscape ecology has not yet been effective in achieving the underlying goal of planning and designing sustainable landscapes. We developed nine questions reflecting the application of fundamental research topics in landscape ecology to the landscape planning process and reviewed two recent landscape-scale plans in western North America for evidence of these concepts in plan decisions. Both plans considered multiple resources, uses, and values, including energy development, recreation, conservation, and protection of cultural and historic resources. We found that land use change and multiscale perspectives of resource uses and values were very often apparent in planning decisions. Pattern-process relationships, connectivity and fragmentation, ecosystem services, landscape history, and climate change were reflected less frequently. Landscape sustainability was considered only once in the 295 decisions reviewed, and outputs of landscape models were not referenced. We suggest six actionable opportunities for further integrating landscape ecology concepts into landscape planning efforts: 1) use landscape sustainability as an overarching goal, 2) adopt a broad ecosystem services framework, 3) explore the role of landscape history more comprehensively, 4) regularly consider and accommodate potential effects of climate change, 5) use landscape models to support plan decisions, and 6) promote a greater presence of landscape ecologists within agencies that manage large land bases and encourage active involvement in agency planning efforts. Together these actions may improve the defensibility, durability, and sustainability of landscape plan decisions.

  17. Energy landscape of all-atom protein-protein interactions revealed by multiscale enhanced sampling.

    Directory of Open Access Journals (Sweden)

    Kei Moritsugu

    2014-10-01

    Full Text Available Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape.

  18. The elastic free energy of a tandem modular protein under force.

    Science.gov (United States)

    Valle-Orero, Jessica; Eckels, Edward C; Stirnemann, Guillaume; Popa, Ionel; Berkovich, Ronen; Fernandez, Julio M

    2015-05-01

    Recent studies have provided a theoretical framework for including entropic elasticity in the free energy landscape of proteins under mechanical force. Accounting for entropic elasticity using polymer physics models has helped explain the hopping behavior seen in single molecule experiments in the low force regime. Here, we expand on the construction of the free energy of a single protein domain under force proposed by Berkovich et al. to provide a free energy landscape for N tandem domains along a continuous polypeptide. Calculation of the free energy of individual domains followed by their concatenation provides a continuous free energy landscape whose curvature is dominated by the worm-like chain at forces below 20 pN. We have validated our free energy model using Brownian dynamics and reproduce key features of protein folding. This free energy model can predict the effects of changes in the elastic properties of a multidomain protein as a consequence of biological modifications such as phosphorylation or the formation of disulfide bonds. This work lays the foundations for the modeling of tissue elasticity, which is largely determined by the properties of tandem polyproteins. Copyright © 2015. Published by Elsevier Inc.

  19. The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation

    DEFF Research Database (Denmark)

    Ruggiero, Michael T; Krynski, Marcin; Kissi, Eric Ofosu

    2017-01-01

    clear experimental and computational evidence in support of a theory that proposes that the shape and structure of the potential-energy surface (PES) is the fundamental factor underlying the glass-transition processes, regardless of the frequency that experimental methods probe. Whilst this has been....... Combined, these findings provide compelling evidence that the PES landscape, and the corresponding energy barriers, are the ultimate controlling feature behind the atomic and molecular dynamics of disordered solids, regardless of the frequency at which they occur....... proposed previously, we demonstrate, using ab initio molecular-dynamics (AIMD) simulations, that it is of critical importance to carefully consider the complete PES - both the intra-molecular and inter-molecular features - in order to fully understand the entire range of atomic-dynamical processes...

  20. Energy landscape, structure and rate effects on strength properties of alpha-helical proteins

    International Nuclear Information System (INIS)

    Bertaud, Jeremie; Hester, Joshua; Jimenez, Daniel D; Buehler, Markus J

    2010-01-01

    The strength of protein domains is crucial to identify the mechanical role of protein domains in biological processes such as mechanotransduction, tissue mechanics and tissue remodeling. Whereas the concept of strength has been widely investigated for engineered materials, the strength of fundamental protein material building blocks and how it depends on structural parameters such as the chemical bonding, the protein filament length and the timescale of observation or deformation velocity remains poorly understood. Here we report a systematic analysis of the influence of key parameters that define the energy landscape of the strength properties of alpha-helical protein domains, including energy barriers, unfolding and refolding distances, the locations of folded and unfolded states, as well as variations of the length and pulling velocity of alpha-helical protein filaments. The analysis is facilitated by the development of a double-well mesoscale potential formulation, utilized here to carry out a systematic numerical analysis of the behavior of alpha-helices. We compare the results against widely used protein strength models based on the Bell model, one of the simplest models used to characterize the strength of protein filaments. We find that, whereas Bell-type models are a reasonable approximation to describe the rupture of alpha-helical protein domains for a certain range of pulling speeds and values of energy barriers, the model ceases to hold for very large energy barriers and for very small pulling speeds, in agreement with earlier findings. We conclude with an application of our mesoscale model to investigate the effect of the length of alpha-helices on their mechanical strength. We find a weakening effect as the length of alpha-helical proteins increases, followed by an asymptotic regime in which the strength remains constant. We compare strand lengths found in biological proteins with the scaling law of strength versus alpha-helix filament length. The

  1. The potential energy landscape in the Lennard-Jones binary mixture model

    International Nuclear Information System (INIS)

    Sampoli, M; Benassi, P; Eramo, R; Angelani, L; Ruocco, G

    2003-01-01

    The potential energy landscape in the Kob-Andersen Lennard-Jones binary mixture model has been studied carefully from the liquid down to the supercooled regime, from T = 2 down to 0.46. One thousand independent configurations along the time evolution locus have been examined at each temperature investigated. From the starting configuration, we searched for the nearest saddle (or quasi-saddle) and minimum of the potential energy. The vibrational densities of states for the starting and the two derived configurations have been evaluated. Besides the number of negative eigenvalues of the saddles other quantities show some signature of the approach of the dynamical arrest temperature

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

  4. Simple solvable energy-landscape model that shows a thermodynamic phase transition and a glass transition.

    Science.gov (United States)

    Naumis, Gerardo G

    2012-06-01

    When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy-landscape models. Here, a model is provided in which two key ingredients are considered in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit for slow cooling, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable states.

  5. Specific Energy of Hard Coal Under Load

    Directory of Open Access Journals (Sweden)

    Bogusz Anna

    2015-03-01

    Full Text Available The article presents results of experimental tests of energy parameters of hard coals under loading, collected from research sites located within five main geologic structures of Upper Silesian Coal Basin (GZW - Main Trough, Main Anticline, Bytom Trough, Rybnik Trough and Chwałowice Trough. Coals from12 mines were analysed, starting with seams of group 200, through groups 400, 500, 600 and, finally, seams of group 700. Coal of each of the groups of seams underwent uniaxial compression stress of the energy parameters, in a servo-controlled testing machine MTS-810NEW, for the full range of strain of the tested coal samples. Based on the tests the dependence of different types of specific energy of longitudinal strain of coals on the value of uniaxial compression strength was determined. The dependence of the value of dissipated energy and kinetic energy of coals on the uniaxial compression strength was described with a linear function, both for coals which due to their age belong to various bed sand for various lithotypes of coal. An increase in the value of dissipated energy and in kinetic energy was observed, which was correlated with an increase in uniaxial compression strength of coal. The share of dissipated energy is dominant in the total energy of strain. Share of recoverable energy in the total energy of strain is small, independent of the compression strength of coals and is at most a few per cent high. In coals of low strength and dominant share of dissipated energy, share of recoverable energy is the biggest among the tested coals. It was shown that following an increase in compression strength the share of recoverable energy decreases, while the share of dissipated energy in the total energy increases. Further studies of specific energy of longitudinal strain of rocks in the full-range strain will be the next step inperfecting methodology of research into natural rock burst susceptibility of Carboniferous rock mass and changes in the

  6. An energy landscape based approach for studying supercooled liquid and glassy thin films

    Science.gov (United States)

    Shah, Pooja; Mittal, Jeetain; Truskett, Thomas M.

    2004-03-01

    Materials in confined spaces are important in science and technology. Examples include biological fluids in membranes, liquids trapped in porous rocks, and thin-film materials used in high-resolution patterning technologies. However, few reliable rules exist to predict how the properties of materials will be affected by thin-film confinement. We have recently shown that the potential energy landscape formalism can be used to study, by both theory [1] and simulation [2], how the behavior of thin-film materials depends on sample dimensions and film-substrate interactions. Our landscape-based mean-field theory [1] can be used to study both the thermodynamic properties and the ideal glass transition of thin films. It predicts that, in the case of neutral or repulsive walls, the ideal glass transition temperature is lowered by decreasing film thickness. This is in qualitative agreement with experimental trends for the kinetic glass transition in confined fluids. Landscape-based approaches are also valuable for understanding the structural and mechanical properties of thin-film glasses. We demonstrate how the concept of an "equation of state of the energy landscape" [3] can be generalized to thin films [1, 2], where it gives insights into potential molecular mechanisms of tensile strength. [1] T. M. Truskett and V. Ganesan, J. Chem. Phys. 119, 1897-1900(2003); J. Mittal, P. Shah and T. M. Truskett, to be submitted to Langmuir. [2] P. Shah and T. M. Truskett, to be submitted to J. Phys. Chem. B. [3] S. Sastry, P. G. Debenedetti and F. H. Stillinger, Phys. Rev. E 56, 5533 (1997)

  7. Free energy landscapes of electron transfer system in dipolar environment below and above the rotational freezing temperature

    International Nuclear Information System (INIS)

    Suzuki, Yohichi; Tanimura, Yoshitaka

    2007-01-01

    Electron transfer reaction in a polar solvent is modeled by a solute dipole surrounded by dipolar molecules with simple rotational dynamics posted on the three-dimensional distorted lattice sites. The interaction energy between the solute and solvent dipoles as a reaction coordinate is adopted and free energy landscapes are calculated by generating all possible states for a 26 dipolar system and by employing Wang-Landau sampling algorithm for a 92 dipolar system. For temperatures higher than the energy scale of dipole-dipole interactions, the free energy landscapes for the small reaction coordinate region have quadratic shape as predicted by Marcus [Rev. Mod. Phys. 65, 599 (1993)] whereas for the large reaction coordinate region, the landscapes exhibit a nonquadratic shape. When the temperature drops, small notched structures appear on the free energy profiles because of the frustrated interactions among dipoles. The formation of notched structure is analyzed with statistical approach and it is shown that the amplitude of notched structure depend upon the segment size of the reaction coordinate and is characterized by the interaction energy among the dipoles. Using simulated free energy landscapes, the authors calculate the reaction rates as a function of the energy gap for various temperatures. At high temperature, the reactions rates follow a bell shaped (inverted parabolic) energy gap law in the small energy gap regions, while it becomes steeper than the parabolic shape in a large energy gap regions due to the nonquadratic shape of the free energy landscape. The peak position of parabola also changes as the function of temperature. At low temperature, the profile of the reaction rates is no longer smooth because of the many local minima of the free energy landscape

  8. Maximal energy extraction under discrete diffusive exchange

    Energy Technology Data Exchange (ETDEWEB)

    Hay, M. J., E-mail: hay@princeton.edu [Department of Astrophysical Sciences, Princeton University, Princeton, New Jersey 08544 (United States); Schiff, J. [Department of Mathematics, Bar-Ilan University, Ramat Gan 52900 (Israel); Fisch, N. J. [Department of Astrophysical Sciences, Princeton University, Princeton, New Jersey 08544 (United States); Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)

    2015-10-15

    Waves propagating through a bounded plasma can rearrange the densities of states in the six-dimensional velocity-configuration phase space. Depending on the rearrangement, the wave energy can either increase or decrease, with the difference taken up by the total plasma energy. In the case where the rearrangement is diffusive, only certain plasma states can be reached. It turns out that the set of reachable states through such diffusive rearrangements has been described in very different contexts. Building upon those descriptions, and making use of the fact that the plasma energy is a linear functional of the state densities, the maximal extractable energy under diffusive rearrangement can then be addressed through linear programming.

  9. Dry forest resilience varies under simulated climate‐management scenarios in a central Oregon, USA landscape.

    Science.gov (United States)

    Halofsky, Joshua S; Halofsky, Jessica E; Burcsu, Theresa; Hemstrom, Miles A

    Determining appropriate actions to create or maintain landscapes resilient to climate change is challenging because of uncertainty associated with potential effects of climate change and their interactions with land management. We used a set of climate-informed state-and-transition models to explore the effects of management and natural disturbances on vegetation composition and structure under different future climates. Models were run for dry forests of central Oregon under a fire suppression scenario (i.e., no management other than the continued suppression of wildfires) and an active management scenario characterized by light to moderate thinning from below and some prescribed fire, planting, and salvage logging. Without climate change, area in dry province forest types remained constant. With climate change, dry mixed-conifer forests increased in area (by an average of 21–26% by 2100), and moist mixed-conifer forests decreased in area (by an average of 36–60% by 2100), under both management scenarios. Average area in dry mixed-conifer forests varied little by management scenario, but potential decreases in the moist mixed-conifer forest were lower with active management. With changing climate in the dry province of central Oregon, our results suggest the likelihood of sustaining current levels of dense, moist mixed-conifer forests with large-diameter, old trees is low (less than a 10% chance) irrespective of management scenario; an opposite trend was observed under no climate change simulations. However, results also suggest active management within the dry and moist mixed-conifer forests that creates less dense forest conditions can increase the persistence of larger-diameter, older trees across the landscape. Owing to projected increases in wildfire, our results also suggest future distributions of tree structures will differ from the present. Overall, our projections indicate proactive management can increase forest resilience and sustain some societal

  10. Role of Electrostatics in Protein-RNA Binding: The Global vs the Local Energy Landscape.

    Science.gov (United States)

    Ghaemi, Zhaleh; Guzman, Irisbel; Gnutt, David; Luthey-Schulten, Zaida; Gruebele, Martin

    2017-09-14

    U1A protein-stem loop 2 RNA association is a basic step in the assembly of the spliceosomal U1 small nuclear ribonucleoprotein. Long-range electrostatic interactions due to the positive charge of U1A are thought to provide high binding affinity for the negatively charged RNA. Short range interactions, such as hydrogen bonds and contacts between RNA bases and protein side chains, favor a specific binding site. Here, we propose that electrostatic interactions are as important as local contacts in biasing the protein-RNA energy landscape toward a specific binding site. We show by using molecular dynamics simulations that deletion of two long-range electrostatic interactions (K22Q and K50Q) leads to mutant-specific alternative RNA bound states. One of these states preserves short-range interactions with aromatic residues in the original binding site, while the other one does not. We test the computational prediction with experimental temperature-jump kinetics using a tryptophan probe in the U1A-RNA binding site. The two mutants show the distinct predicted kinetic behaviors. Thus, the stem loop 2 RNA has multiple binding sites on a rough RNA-protein binding landscape. We speculate that the rough protein-RNA binding landscape, when biased to different local minima by electrostatics, could be one way that protein-RNA interactions evolve toward new binding sites and novel function.

  11. Electrostatics, structure prediction, and the energy landscapes for protein folding and binding.

    Science.gov (United States)

    Tsai, Min-Yeh; Zheng, Weihua; Balamurugan, D; Schafer, Nicholas P; Kim, Bobby L; Cheung, Margaret S; Wolynes, Peter G

    2016-01-01

    While being long in range and therefore weakly specific, electrostatic interactions are able to modulate the stability and folding landscapes of some proteins. The relevance of electrostatic forces for steering the docking of proteins to each other is widely acknowledged, however, the role of electrostatics in establishing specifically funneled landscapes and their relevance for protein structure prediction are still not clear. By introducing Debye-Hückel potentials that mimic long-range electrostatic forces into the Associative memory, Water mediated, Structure, and Energy Model (AWSEM), a transferable protein model capable of predicting tertiary structures, we assess the effects of electrostatics on the landscapes of thirteen monomeric proteins and four dimers. For the monomers, we find that adding electrostatic interactions does not improve structure prediction. Simulations of ribosomal protein S6 show, however, that folding stability depends monotonically on electrostatic strength. The trend in predicted melting temperatures of the S6 variants agrees with experimental observations. Electrostatic effects can play a range of roles in binding. The binding of the protein complex KIX-pKID is largely assisted by electrostatic interactions, which provide direct charge-charge stabilization of the native state and contribute to the funneling of the binding landscape. In contrast, for several other proteins, including the DNA-binding protein FIS, electrostatics causes frustration in the DNA-binding region, which favors its binding with DNA but not with its protein partner. This study highlights the importance of long-range electrostatics in functional responses to problems where proteins interact with their charged partners, such as DNA, RNA, as well as membranes. © 2015 The Protein Society.

  12. Time Series Analysis of Energy Production and Associated Landscape Fragmentation in the Eagle Ford Shale Play

    Science.gov (United States)

    Pierre, Jon Paul; Young, Michael H.; Wolaver, Brad D.; Andrews, John R.; Breton, Caroline L.

    2017-11-01

    Spatio-temporal trends in infrastructure footprints, energy production, and landscape alteration were assessed for the Eagle Ford Shale of Texas. The period of analysis was over four 2-year periods (2006-2014). Analyses used high-resolution imagery, as well as pipeline data to map EF infrastructure. Landscape conditions from 2006 were used as baseline. Results indicate that infrastructure footprints varied from 94.5 km2 in 2008 to 225.0 km2 in 2014. By 2014, decreased land-use intensities (ratio of land alteration to energy production) were noted play-wide. Core-area alteration by period was highest (3331.6 km2) in 2008 at the onset of play development, and increased from 582.3 to 3913.9 km2 by 2014, though substantial revegetation of localized core areas was observed throughout the study (i.e., alteration improved in some areas and worsened in others). Land-use intensity in the eastern portion of the play was consistently lower than that in the western portion, while core alteration remained relatively constant east to west. Land alteration from pipeline construction was 65 km2 for all time periods, except in 2010 when alteration was recorded at 47 km2. Percent of total alteration from well-pad construction increased from 27.3% in 2008 to 71.5% in 2014. The average number of wells per pad across all 27 counties increased from 1.15 to 1.7. This study presents a framework for mapping landscape alteration from oil and gas infrastructure development. However, the framework could be applied to other energy development programs, such as wind or solar fields, or any other regional infrastructure development program.

  13. Underlying Event Studies for LHC Energies

    International Nuclear Information System (INIS)

    Barnafoeldi, Gergely Gabor; Levai, Peter; Agocs, Andras G.

    2011-01-01

    Underlying event was originally defined by the CDF collaboration decades ago. Here we improve the original definition to extend our analysis for events with multiple-jets. We introduce a definition for surrounding rings/belts and based on this definition the jet- and surrounding-belt-excluded areas will provide a good underlying event definition. We inverstigate our definition via the multiplicity in the defined geometry. In parallel, mean transverse momenta of these areas also studied in proton-proton collisions at √(s) = 7 TeV LHC energy.

  14. Free energy landscape and cooperatively rearranging region in a hard sphere glass

    Science.gov (United States)

    Yoshidome, Takashi; Yoshimori, Akira; Odagaki, Takashi

    2007-08-01

    Exploiting the density functional theory, we calculate the free energy landscape (FEL) of the hard sphere glass in three dimensions. From the FEL, we estimate the number of the particles in the cooperatively rearranging region (CRR). We find that the density dependence of the number of the particles in the CRR is expressed as a power law function of the density. Analyzing the relaxation process in the CRR, we also find that the string motion is the elementary process for the structural relaxation, which leads to the natural definition of the simultaneously rearranging region as the particles displaced in the string motion.

  15. Exploring the energy landscape of the charge transport levels in organic semiconductors at the molecular scale.

    Science.gov (United States)

    Cornil, J; Verlaak, S; Martinelli, N; Mityashin, A; Olivier, Y; Van Regemorter, T; D'Avino, G; Muccioli, L; Zannoni, C; Castet, F; Beljonne, D; Heremans, P

    2013-02-19

    strongly interacting electron-hole pairs can potentially escape from their Coulomb well, a process that is at the heart of photoconversion or molecular doping. Yet they do, with near-quantitative yield in some cases. Limited screening by the low dielectric medium in organic materials leads to subtle static and dynamic electronic polarization effects that strongly impact the energy landscape for charges, which offers a rationale for this apparent inconsistency. In this Account, we use different theoretical approaches to predict the energy landscape of charge carriers at the molecular level and review a few case studies highlighting the role of electrostatic interactions in conjugated organic molecules. We describe the pros and cons of different theoretical approaches that provide access to the energy landscape defining the motion of charge carriers. We illustrate the applications of these approaches through selected examples involving OFETs, OLEDs, and solar cells. The three selected examples collectively show that energetic disorder governs device performances and highlights the relevance of theoretical tools to probe energy landscapes in molecular assemblies.

  16. Energy landscape for martensitic phase transformation in shape memory NiTi

    International Nuclear Information System (INIS)

    Kibey, S.; Sehitoglu, H.; Johnson, D.D.

    2009-01-01

    First-principles calculations are presented for parent B2 phase and martensitic B19 and B19' phases in NiTi. The results indicate that both B19 and B19' are energetically more stable than the parent B2 phase. By means of ab initio density functional theory, the complete distortion-shuffle energy landscape associated with B2 → B19 transformation in NiTi is then determined. In addition to accounting for the Bain-type deformation through the Cauchy-Born rule, the study explicitly accounts for the shuffle displacements experienced by the internal ions in NiTi. The energy landscape allows the energy barrier associated with the B2 → B19 transformation pathway to be identified. The results indicate that a barrier of 0.48 mRyd atom -1 (relative to the B2 phase) must be overcome to transform the parent B2 NiTi to orthorhombic B19 martensite

  17. Quantitative analysis of the publishing landscape in high-energy physics

    International Nuclear Information System (INIS)

    Mele, Salvatore; Dallman, David; Vigen, Jens; Yeomans, Joanne

    2006-01-01

    World-wide collaboration in high-energy physics (HEP) is a tradition which dates back several decades, with scientific publications mostly coauthored by scientists from different countries. This coauthorship phenomenon makes it difficult to identify precisely the 'share' of each country in HEP scientific production. One year's worth of HEP scientific articles published in peer-reviewed journals is analysed and their authors are uniquely assigned to countries. This method allows the first correct estimation on a pro rata basis of the share of HEP scientific publishing among several countries and institutions. The results provide an interesting insight into the geographical collaborative patterns of the HEP community. The HEP publishing landscape is further analysed to provide information on the journals favoured by the HEP community and on the geographical variation of their author bases. These results provide quantitative input to the ongoing debate on the possible transition of HEP publishing to an Open Access model. Foreword. This paper reports the results of a recent detailed study of the publishing landscape in high energy physics. We thought that because of its direct relevance to the high energy physics community, this important quantitative input to the debate on the transition to Open Access naturally finds its place in our journal. Marc Henneaux, JHEP Scientific Director

  18. Obsolete or resurgent? The International Energy Agency in a changing global landscape

    International Nuclear Information System (INIS)

    Van de Graaf, Thijs

    2012-01-01

    Founded in response to the 1973 oil shock, the International Energy Agency (IEA) is arguably still the most important multilateral organization for energy-importing countries. Yet, the global geopolitical landscape has changed considerably since the IEA's creation. The rise of new energy consumers, new energy-related challenges and new international energy forums prompt a rethink of the agency's current role and institutional design. This article seeks to contribute to the recent debate on the future role of the IEA by examining specific drivers, avenues and constraints for institutional reform. The method used is SWOT analysis, which allows to summarize the key factors emanating from an assessment of an organization's internal characteristics (strengths and weaknesses) and its external environment (opportunities and threats). Building on this SWOT analysis, the article formulates a strategy for the IEA to remain the focal point in global energy governance. Key elements of this strategy include: stronger engagement with new consumers, rapprochement with OPEC, becoming a leading voice in the energy transition, and changing the agency's internal governance practices. - Highlights: ► The IEA is challenged by the rise of new consumers, threats and organizations. ► Assessment of the agency’s internal characteristics and external environment. ► The IEA needs to step up its outreach policy and fully embrace sustainable energy.

  19. Belowground Water Dynamics Under Contrasting Annual and Perennial Plant Communities in an Agriculturally-Dominated Landscape

    Science.gov (United States)

    Mora, G.; Asbjornsen, H.; Helmers, M. J.; Shepherd, G. W.

    2005-12-01

    The conversion from grasslands and forests to row-crops in the Midwest has affected soil water cycling because plant characteristics are one of the main parameters determining soil storage capacity, infiltration rates, and surface runoff. Little is known, however, about the extent of modification of soil water dynamics under different plant communities. To address this important issue, we are documenting soil water dynamics under contrasting perennial and annual plant communities in an agriculturally-dominated landscape. Measurements of soil moisture and depths of uptake of source water were obtained for six vegetative cover types (corn and soybean field, brome pasture, degraded savanna, restored savanna, and restored prairie) at the Neal Smith National Wildlife Refuge in Prairie City, Iowa. The depths of uptake of soil water were determined on the basis of oxygen isotope composition of soil water and stem water. Measurements were performed once a month during an entire growing season. Preliminary results indicate that soil water present under the different vegetation types show similar profiles with depth during the dry months. Soil water in the upper 5 cm is enriched in oxygen-18 by about 5 per mil relative to soil water at 100 cm. Our preliminary results also indicate that the isotopic composition of stem water from annual plants is typically higher by about 2 per mil relative to that of stem water from perennial plants during the dry period. Whereas the oxygen isotopic composition for corn stem water is -5.49 per mil, that for elm and oak stem water is -7.62 and -7.51 per mil, respectively. The higher isotope values for corn suggest that annual crop plants are withdrawing water from shallower soil horizons relative to perennial plants. Moreover, our preliminary data suggest lower moisture content in soil under annual plant cover. We propose that the presence of deeper roots in the perennial vegetation allows these plants to tap into deeper water sources when

  20. Integrating ecophysiology and forest landscape models to improve projections of drought effects under climate change.

    Science.gov (United States)

    Gustafson, Eric J; De Bruijn, Arjan M G; Pangle, Robert E; Limousin, Jean-Marc; McDowell, Nate G; Pockman, William T; Sturtevant, Brian R; Muss, Jordan D; Kubiske, Mark E

    2015-02-01

    Fundamental drivers of ecosystem processes such as temperature and precipitation are rapidly changing and creating novel environmental conditions. Forest landscape models (FLM) are used by managers and policy-makers to make projections of future ecosystem dynamics under alternative management or policy options, but the links between the fundamental drivers and projected responses are weak and indirect, limiting their reliability for projecting the impacts of climate change. We developed and tested a relatively mechanistic method to simulate the effects of changing precipitation on species competition within the LANDIS-II FLM. Using data from a field precipitation manipulation experiment in a piñon pine (Pinus edulis) and juniper (Juniperus monosperma) ecosystem in New Mexico (USA), we calibrated our model to measurements from ambient control plots and tested predictions under the drought and irrigation treatments against empirical measurements. The model successfully predicted behavior of physiological variables under the treatments. Discrepancies between model output and empirical data occurred when the monthly time step of the model failed to capture the short-term dynamics of the ecosystem as recorded by instantaneous field measurements. We applied the model to heuristically assess the effect of alternative climate scenarios on the piñon-juniper ecosystem and found that warmer and drier climate reduced productivity and increased the risk of drought-induced mortality, especially for piñon. We concluded that the direct links between fundamental drivers and growth rates in our model hold great promise to improve our understanding of ecosystem processes under climate change and improve management decisions because of its greater reliance on first principles. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

  1. A deterministic method for estimating free energy genetic network landscapes with applications to cell commitment and reprogramming paths.

    Science.gov (United States)

    Olariu, Victor; Manesso, Erica; Peterson, Carsten

    2017-06-01

    Depicting developmental processes as movements in free energy genetic landscapes is an illustrative tool. However, exploring such landscapes to obtain quantitative or even qualitative predictions is hampered by the lack of free energy functions corresponding to the biochemical Michaelis-Menten or Hill rate equations for the dynamics. Being armed with energy landscapes defined by a network and its interactions would open up the possibility of swiftly identifying cell states and computing optimal paths, including those of cell reprogramming, thereby avoiding exhaustive trial-and-error simulations with rate equations for different parameter sets. It turns out that sigmoidal rate equations do have approximate free energy associations. With this replacement of rate equations, we develop a deterministic method for estimating the free energy surfaces of systems of interacting genes at different noise levels or temperatures. Once such free energy landscape estimates have been established, we adapt a shortest path algorithm to determine optimal routes in the landscapes. We explore the method on three circuits for haematopoiesis and embryonic stem cell development for commitment and reprogramming scenarios and illustrate how the method can be used to determine sequential steps for onsets of external factors, essential for efficient reprogramming.

  2. Comparison of Recent Oil and Gas, Wind Energy, and Other Anthropogenic Landscape Alteration Factors in Texas Through 2014.

    Science.gov (United States)

    Pierre, Jon Paul; Wolaver, Brad D; Labay, Benjamin J; LaDuc, Travis J; Duran, Charles M; Ryberg, Wade A; Hibbitts, Toby J; Andrews, John R

    2018-05-01

    Recent research assessed how hydrocarbon and wind energy expansion has altered the North American landscape. Less understood, however, is how this energy development compares to other anthropogenic land use changes. Texas leads U.S. hydrocarbon production and wind power generation and has a rapidly expanding population. Thus, for ~47% of Texas (~324,000 km 2 ), we mapped the 2014 footprint of energy activities (~665,000 oil and gas wells, ~5700 wind turbines, ~237,000 km oil and gas pipelines, and ~2000 km electrical transmission lines). We compared the footprint of energy development to non-energy-related activities (agriculture, roads, urbanization) and found direct landscape alteration from all factors affects ~23% of the study area (~76,000 km 2 ), led by agriculture (~16%; ~52,882 km 2 ). Oil and gas activities altered turbine pads and ~10 km 2 from power transmission lines. We found that edge effects of widely-distributed energy infrastructure caused more indirect landscape alteration than larger, more concentrated urbanization and agriculture. This study presents a novel technique to quantify and compare anthropogenic activities causing both direct and indirect landscape alteration. We illustrate this landscape-mapping framework in Texas for the Spot-tailed Earless Lizard (Holbrookia lacerata); however, the approach can be applied to a range of species in developing regions globally.

  3. Optimal dimensionality reduction of complex dynamics: the chess game as diffusion on a free-energy landscape.

    Science.gov (United States)

    Krivov, Sergei V

    2011-07-01

    Dimensionality reduction is ubiquitous in the analysis of complex dynamics. The conventional dimensionality reduction techniques, however, focus on reproducing the underlying configuration space, rather than the dynamics itself. The constructed low-dimensional space does not provide a complete and accurate description of the dynamics. Here I describe how to perform dimensionality reduction while preserving the essential properties of the dynamics. The approach is illustrated by analyzing the chess game--the archetype of complex dynamics. A variable that provides complete and accurate description of chess dynamics is constructed. The winning probability is predicted by describing the game as a random walk on the free-energy landscape associated with the variable. The approach suggests a possible way of obtaining a simple yet accurate description of many important complex phenomena. The analysis of the chess game shows that the approach can quantitatively describe the dynamics of processes where human decision-making plays a central role, e.g., financial and social dynamics.

  4. The licensing procedure under Atomic Energy Law

    International Nuclear Information System (INIS)

    Ronellenfitsch, M.

    1983-01-01

    This post-doctoral thesis of 1981 has been updated to include developments in this field up to the year 1983. The author discusses in detail all questions relating to the peaceful uses of nuclear energy in the Federal Republic of Germany, predominantly from the point of view of administrative law. He investigates nuclear energy and its contribution to electricity supplies with a view to other energy sources, renewable energy sources, alternative energy policies, nuclear fuel and the fuel cycle, development of the nuclear industry, nuclear power stations in operation, under construction, or in development. Following a survey of the nuclear controversy, both on the national and the international level, the author reviews the legal system and arising controversies in the Federal Republic of Germany, defining the purpose of this thesis to be the systematic analysis of the available legal instruments, in order to show structural deficiencies in the planning law relating to nuclear power stations, and thus reasons of ambiguities within the licensing procedure. The author studies the following terms and requirements: licensing requirements and licensability, the licensing method and scenario, the legal character of licences, their contents and effects within the stepwise procedure, and due publication. (HSCH) [de

  5. A Tale of Two Regions: Landscape Ecological Planning for Shale Gas Energy Futures

    Science.gov (United States)

    Murtha, T., Jr.; Schroth, O.; Orland, B.; Goldberg, L.; Mazurczyk, T.

    2015-12-01

    As we increasingly embrace deep shale gas deposits to meet global energy demands new and dispersed local and regional policy and planning challenges emerge. Even in regions with long histories of energy extraction, such as coal, shale gas and the infrastructure needed to produce the gas and transport it to market offers uniquely complex transformations in land use and landcover not previously experienced. These transformations are fast paced, dispersed and can overwhelm local and regional planning and regulatory processes. Coupled to these transformations is a structural confounding factor. While extraction and testing are carried out locally, regulation and decision-making is multilayered, often influenced by national and international factors. Using a geodesign framework, this paper applies a set of geospatial landscape ecological planning tools in two shale gas settings. First, we describe and detail a series of ongoing studies and tools that we have developed for communities in the Marcellus Shale region of the eastern United States, specifically the northern tier of Pennsylvania. Second, we apply a subset of these tools to potential gas development areas of the Fylde region in Lancashire, United Kingdom. For the past five years we have tested, applied and refined a set of place based and data driven geospatial models for forecasting, envisioning, analyzing and evaluating shale gas activities in northern Pennsylvania. These models are continuously compared to important landscape ecological planning challenges and priorities in the region, e.g. visual and cultural resource preservation. Adapting and applying these tools to a different landscape allow us to not only isolate and define important regulatory and policy exigencies in each specific setting, but also to develop and refine these models for broader application. As we continue to explore increasingly complex energy solutions globally, we need an equally complex comparative set of landscape ecological

  6. Applying a framework for landscape planning under climate change for the conservation of biodiversity in the Finnish boreal forest

    DEFF Research Database (Denmark)

    Mazziotta, Adriano; Triviño, Maria; Tikkanen, Olli Pekka

    2015-01-01

    = 0.6%), intact areas with low vulnerability that represent potential climate refugia and require conservation capacity maintenance; (iii) resistant (B1 = 6.7%, A1B = 0.8%, A2 = 1.1%), landscapes with low current conservation capacity and low vulnerability that are suitable for restoration projects......Conservation strategies are often established without consideration of the impact of climate change. However, this impact is expected to threaten species and ecosystem persistence and to have dramatic effects towards the end of the 21st century. Landscape suitability for species under climate...... change is determined by several interacting factors including dispersal and human land use. Designing effective conservation strategies at regional scales to improve landscape suitability requires measuring the vulnerabilities of specific regions to climate change and determining their conservation...

  7. Protein Folding Free Energy Landscape along the Committor - the Optimal Folding Coordinate.

    Science.gov (United States)

    Krivov, Sergei V

    2018-06-06

    Recent advances in simulation and experiment have led to dramatic increases in the quantity and complexity of produced data, which makes the development of automated analysis tools very important. A powerful approach to analyze dynamics contained in such data sets is to describe/approximate it by diffusion on a free energy landscape - free energy as a function of reaction coordinates (RC). For the description to be quantitatively accurate, RCs should be chosen in an optimal way. Recent theoretical results show that such an optimal RC exists; however, determining it for practical systems is a very difficult unsolved problem. Here we describe a solution to this problem. We describe an adaptive nonparametric approach to accurately determine the optimal RC (the committor) for an equilibrium trajectory of a realistic system. In contrast to alternative approaches, which require a functional form with many parameters to approximate an RC and thus extensive expertise with the system, the suggested approach is nonparametric and can approximate any RC with high accuracy without system specific information. To avoid overfitting for a realistically sampled system, the approach performs RC optimization in an adaptive manner by focusing optimization on less optimized spatiotemporal regions of the RC. The power of the approach is illustrated on a long equilibrium atomistic folding simulation of HP35 protein. We have determined the optimal folding RC - the committor, which was confirmed by passing a stringent committor validation test. It allowed us to determine a first quantitatively accurate protein folding free energy landscape. We have confirmed the recent theoretical results that diffusion on such a free energy profile can be used to compute exactly the equilibrium flux, the mean first passage times, and the mean transition path times between any two points on the profile. We have shown that the mean squared displacement along the optimal RC grows linear with time as for

  8. Land Tenure as a Factor Underlying Agricultural Landscape Changes in Europe: A Review

    Directory of Open Access Journals (Sweden)

    Krčílková Š.

    2016-06-01

    Full Text Available Land tenure is generally considered to be an important factor affecting farming, landscape, and rural development. This paper reviews selected case studies to identify how land tenure influences agricultural landscape changes in Europe. We identified how land tenure information was transformed into variables, grouping these variables into general thematic categories: (1 land rights variables based on references to the type of stakeholders and duration of land occupancy, (2 land structure variables describing general land structure, and (3 behavioural variables dependent on stakeholders’ attitudes, perceptions, and personal values. Each thematic category can be defined on three spatial levels: parcel or production block, stakeholder, and landscape. The results show that the tenure factor is not frequently included into landscape-change studies. When a land tenure factor was part of a given study, it either played a minor role among other drivers of landscape change or, if it influenced significant landscape changes, it had only locally specific effects. Moreover, there were studies with contradictory results and so it is difficult to generalize specific findings. Nevertheless, land tenure is frequently discussed within landscape-change research in relation to land abandonment as well as green services and their connection with the European Union’s Common Agricultural Policy.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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 ρ S . The tensile limit at ρ S is due to cavitation that occurs upon energy minimization, and previous characterizations of this behavior suggested that ρ S 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.

  10. The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

    Science.gov (United States)

    Nguyen, Duc; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Girolami, Gregory S.; Lyding, Joseph; Gruebele, Martin

    2014-11-01

    Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1-2 nm diameter cooperatively rearranging regions or "clusters" occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how "mixed" features can show up in surface dynamics of glasses.

  11. Co-designing energy landscapes: Application of participatory mapping and geographic information systems in the exploration of low carbon futures

    NARCIS (Netherlands)

    Stremke, S.; Picchi, Paolo

    2017-01-01

    The chapter begins with a literature review of energy potential mapping, ecosystem services (ES) assessment and participatory mapping (PM). PM is a key technique to conduct tradeoff analysis while co-designing sustainable energy landscapes (SEL) with local communities. Stakeholders, among others,

  12. Applying a framework for landscape planning under climate change for the conservation of biodiversity in the Finnish boreal forest.

    Science.gov (United States)

    Mazziotta, Adriano; Triviño, Maria; Tikkanen, Olli-Pekka; Kouki, Jari; Strandman, Harri; Mönkkönen, Mikko

    2015-02-01

    Conservation strategies are often established without consideration of the impact of climate change. However, this impact is expected to threaten species and ecosystem persistence and to have dramatic effects towards the end of the 21st century. Landscape suitability for species under climate change is determined by several interacting factors including dispersal and human land use. Designing effective conservation strategies at regional scales to improve landscape suitability requires measuring the vulnerabilities of specific regions to climate change and determining their conservation capacities. Although methods for defining vulnerability categories are available, methods for doing this in a systematic, cost-effective way have not been identified. Here, we use an ecosystem model to define the potential resilience of the Finnish forest landscape by relating its current conservation capacity to its vulnerability to climate change. In applying this framework, we take into account the responses to climate change of a broad range of red-listed species with different niche requirements. This framework allowed us to identify four categories in which representation in the landscape varies among three IPCC emission scenarios (B1, low; A1B, intermediate; A2, high emissions): (i) susceptible (B1 = 24.7%, A1B = 26.4%, A2 = 26.2%), the most intact forest landscapes vulnerable to climate change, requiring management for heterogeneity and resilience; (ii) resilient (B1 = 2.2%, A1B = 0.5%, A2 = 0.6%), intact areas with low vulnerability that represent potential climate refugia and require conservation capacity maintenance; (iii) resistant (B1 = 6.7%, A1B = 0.8%, A2 = 1.1%), landscapes with low current conservation capacity and low vulnerability that are suitable for restoration projects; (iv) sensitive (B1 = 66.4%, A1B = 72.3%, A2 = 72.0%), low conservation capacity landscapes that are vulnerable and for which alternative conservation measures are required depending on the

  13. Light energy dissipation under water stress conditions

    International Nuclear Information System (INIS)

    Stuhlfauth, T.; Scheuermann, R.; Fock, H.P.

    1990-01-01

    Using 14 CO 2 gas exchange and metabolite analyses, stomatal as well as total internal CO 2 uptake and evolution were estimated. Pulse modulated fluorescence was measured during induction and steady state of photosynthesis. Leaf water potential of Digitalis lanata EHRH. plants decreased to -2.5 megapascals after withholding irrigation. By osmotic adjustment, leaves remained turgid and fully exposed to irradiance even at severe water stress. Due to the stress-induced reduction of stomatal conductance, the stomatal CO 2 exchange was drastically reduced, whereas the total CO 2 uptake and evolution were less affected. Stomatal closure induced an increase in the reassimilation of internally evolved CO 2 . This CO 2 -recycling consumes a significant amount of light energy in the form of ATP and reducing equivalents. As a consequence, the metabolic demand for light energy is only reduced by about 40%, whereas net photosynthesis is diminished by about 70% under severe stress conditions. By CO 2 recycling, carbon flux, enzymatic substrate turnover and consumption of light energy were maintained at high levels, which enabled the plant to recover rapidly after rewatering. In stressed D. lanata plants a variable fluorescence quenching mechanism, termed coefficient of actinic light quenching, was observed. Besides water conservation, light energy dissipation is essential and involves regulated metabolic variations

  14. Light energy dissipation under water stress conditions

    Energy Technology Data Exchange (ETDEWEB)

    Stuhlfauth, T.; Scheuermann, R.; Fock, H.P. (Universitaet Kaiserslautern (West Germany))

    1990-04-01

    Using {sup 14}CO{sub 2} gas exchange and metabolite analyses, stomatal as well as total internal CO{sub 2} uptake and evolution were estimated. Pulse modulated fluorescence was measured during induction and steady state of photosynthesis. Leaf water potential of Digitalis lanata EHRH. plants decreased to {minus}2.5 megapascals after withholding irrigation. By osmotic adjustment, leaves remained turgid and fully exposed to irradiance even at severe water stress. Due to the stress-induced reduction of stomatal conductance, the stomatal CO{sub 2} exchange was drastically reduced, whereas the total CO{sub 2} uptake and evolution were less affected. Stomatal closure induced an increase in the reassimilation of internally evolved CO{sub 2}. This CO{sub 2}-recycling consumes a significant amount of light energy in the form of ATP and reducing equivalents. As a consequence, the metabolic demand for light energy is only reduced by about 40%, whereas net photosynthesis is diminished by about 70% under severe stress conditions. By CO{sub 2} recycling, carbon flux, enzymatic substrate turnover and consumption of light energy were maintained at high levels, which enabled the plant to recover rapidly after rewatering. In stressed D. lanata plants a variable fluorescence quenching mechanism, termed coefficient of actinic light quenching, was observed. Besides water conservation, light energy dissipation is essential and involves regulated metabolic variations.

  15. Communication: Theoretical prediction of free-energy landscapes for complex self-assembly

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, William M.; Reinhardt, Aleks; Frenkel, Daan [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2015-01-14

    We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity of the target assembly. By considering the designed interactions separately from weaker, incidental interactions, our approach yields predictions for the equilibrium yield and nucleation barriers. These predictions are in good agreement with corresponding Monte Carlo simulations. We show that a few fundamental properties of the connectivity graph determine the most prominent features of the assembly thermodynamics. Surprisingly, we find that polydispersity in the strengths of the designed interactions stabilizes intermediate structures and can be used to sculpt the free-energy landscape for self-assembly. Finally, we demonstrate that weak incidental interactions can preclude assembly at equilibrium due to the combinatorial possibilities for incorrect association.

  16. Alternating access mechanisms of LeuT-fold transporters: trailblazing towards the promised energy landscapes.

    Science.gov (United States)

    Kazmier, Kelli; Claxton, Derek P; Mchaourab, Hassane S

    2017-08-01

    Secondary active transporters couple the uphill translocation of substrates to electrochemical ion gradients. Transporter conformational motion, generically referred to as alternating access, enables a central ligand binding site to change its orientation relative to the membrane. Here we review themes of alternating access and the transduction of ion gradient energy to power this process in the LeuT-fold class of transporters where crystallographic, computational and spectroscopic approaches have converged to yield detailed models of transport cycles. Specifically, we compare findings for the Na + -coupled amino acid transporter LeuT and the Na + -coupled hydantoin transporter Mhp1. Although these studies have illuminated multiple aspects of transporter structures and dynamics, a number of questions remain unresolved that so far hinder understanding transport mechanisms in an energy landscape perspective. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Forecasting landscape effects of Mississippi River diversions on elevation and accretion in Louisiana deltaic wetlands under future environmental uncertainty scenarios

    Science.gov (United States)

    Wang, Hongqing; Steyer, Gregory D.; Couvillion, Brady R.; John M. Rybczyk,; Beck, Holly J.; William J. Sleavin,; Ehab A. Meselhe,; Mead A. Allison,; Ronald G. Boustany,; Craig J. Fischenich,; Victor H. Rivera-Monroy,

    2014-01-01

    Large sediment diversions are proposed and expected to build new wetlands to alleviate the extensive wetland loss (5,000 km2) affecting coastal Louisiana during the last 78 years. Current assessment and prediction of the impacts of sediment diversions have focused on the capture and dispersal of both water and sediment on the adjacent river side and the immediate outfall marsh area. However, little is known about the effects of sediment diversions on existing wetland surface elevation and vertical accretion dynamics in the receiving basin at the landscape scale. In this study, we used a spatial wetland surface elevation model developed in support of Louisiana's 2012 Coastal Master Plan to examine such landscape-scale effects of sediment diversions. Multiple sediment diversion projects were incorporated in the model to simulate surface elevation and vertical accretion for the next 50 years (2010-2060) under two environmental (moderate and less optimistic) scenarios. Specifically, we examined landscape-scale surface elevation and vertical accretion trends under diversions with different geographical locations, diverted discharge rates, and geomorphic characteristics of the receiving basin. Model results indicate that small diversions ( 1,500 m3 s-1) are required to achieve landscape-level benefits to promote surface elevation via vertical accretion to keep pace with rising sea level.

  18. Maximally reliable Markov chains under energy constraints.

    Science.gov (United States)

    Escola, Sean; Eisele, Michael; Miller, Kenneth; Paninski, Liam

    2009-07-01

    Signal-to-noise ratios in physical systems can be significantly degraded if the outputs of the systems are highly variable. Biological processes for which highly stereotyped signal generations are necessary features appear to have reduced their signal variabilities by employing multiple processing steps. To better understand why this multistep cascade structure might be desirable, we prove that the reliability of a signal generated by a multistate system with no memory (i.e., a Markov chain) is maximal if and only if the system topology is such that the process steps irreversibly through each state, with transition rates chosen such that an equal fraction of the total signal is generated in each state. Furthermore, our result indicates that by increasing the number of states, it is possible to arbitrarily increase the reliability of the system. In a physical system, however, an energy cost is associated with maintaining irreversible transitions, and this cost increases with the number of such transitions (i.e., the number of states). Thus, an infinite-length chain, which would be perfectly reliable, is infeasible. To model the effects of energy demands on the maximally reliable solution, we numerically optimize the topology under two distinct energy functions that penalize either irreversible transitions or incommunicability between states, respectively. In both cases, the solutions are essentially irreversible linear chains, but with upper bounds on the number of states set by the amount of available energy. We therefore conclude that a physical system for which signal reliability is important should employ a linear architecture, with the number of states (and thus the reliability) determined by the intrinsic energy constraints of the system.

  19. Investigation of the Structures and Energy Landscapes of Thiocyanate-Water Clusters

    Directory of Open Access Journals (Sweden)

    Lewis C. Smeeton

    2017-03-01

    Full Text Available The Basin Hopping search method is used to find the global minima (GM and map the energy landscapes of thiocyanate-water clusters, (SCN−(H2On with 3–50 water molecules, with empirical potentials describing the ion-water and water-water interactions. (It should be noted that beyond n = 23, the lowest energy structures were only found in 1 out of 8 searches so they are unlikely to be the true GM but are indicative low energy structures. As for pure water clusters, the low energy isomers of thiocyanate-water clusters show a preponderance of fused water cubes and pentagonal prisms, with the weakly solvated thiocyanate ion lying on the surface, replacing two water molecules along an edge of a water polyhedron and with the sulfur atom in lower coordinated sites than nitrogen. However, by comparison with Density Functional Theory (DFT calculations, the empirical potential is found to overestimate the strength of the thiocyanate-water interaction, especially O–H⋯S, with low energy DFT structures having lower coordinate N and (especially S atoms than for the empirical potential. In the case of these finite ion-water clusters, the chaotropic (“disorder-making” thiocyanate ion weakens the water cluster structure but the water molecule arrangement is not significantly changed.

  20. Directed Magnetic Particle Transport above Artificial Magnetic Domains Due to Dynamic Magnetic Potential Energy Landscape Transformation.

    Science.gov (United States)

    Holzinger, Dennis; Koch, Iris; Burgard, Stefan; Ehresmann, Arno

    2015-07-28

    An approach for a remotely controllable transport of magnetic micro- and/or nanoparticles above a topographically flat exchange-bias (EB) thin film system, magnetically patterned into parallel stripe domains, is presented where the particle manipulation is achieved by sub-mT external magnetic field pulses. Superparamagnetic core-shell particles are moved stepwise by the dynamic transformation of the particles' magnetic potential energy landscape due to the external magnetic field pulses without affecting the magnetic state of the thin film system. The magnetic particle velocity is adjustable in the range of 1-100 μm/s by the design of the substrate's magnetic field landscape (MFL), the particle-substrate distance, and the magnitude of the applied external magnetic field pulses. The agglomeration of magnetic particles is avoided by the intrinsic magnetostatic repulsion of particles due to the parallel alignment of the particles' magnetic moments perpendicular to the transport direction and parallel to the surface normal of the substrate during the particle motion. The transport mechanism is modeled by a quantitative theory based on the precise knowledge of the sample's MFL and the particle-substrate distance.

  1. Impacts on the environment and landscape of new energy productions on farm parcels and buildings, Final report

    International Nuclear Information System (INIS)

    Pointereau, Ph.; Bochu, J.L.; Couturier, Ch.; Coulon, F.; Arnal, A.; Giorgis, S.

    2009-01-01

    This study aims at identifying positive and negative impacts of new energy productions implemented in farms on the environment (water, soil, biodiversity, space occupancy) and on landscapes, and at proposing techniques and regulations to strengthen positive consequences and to limit possible problems created by these energy productions. The considered productions are: trees apart from forest (hedges and copses), new farm energetic crops (Miscanthus for example), solar equipment (photovoltaic mounted on buildings or on ground, solar hot water and solar dryers), biogas production equipment, hydraulic micro-plants. The authors addressed the following environmental impacts: water (in quantity and quality), soils (quality, erosion risks), biodiversity, space occupancy (with respect to other activities), and landscape

  2. A Community Landscape Model of Pro-Environmental Behavior: The Effects of Landscape and Community Interaction on Residential Energy Behaviors in Two Pennsylvania Towns

    Science.gov (United States)

    Mainzer, Stephen P.

    We are using more energy every year. Between 2001 and 2011, Pennsylvania residential electricity sales increased by two and a half times the number of new customers, accounting for almost one third of the state's total electricity consumption. Our ability to meet demand by acquiring new energy sources faces several challenges. Confusion surrounds the physical and economic accessibility of remaining fossil fuel sources. Immense land use requirements and subsequent environmental impacts challenge a total shift to renewable energy sources. The laws of thermodynamics limit the potential for new technology to efficiently convert raw energy to consumable sources. As a result, any rational strategy to meet future energy demands must involve conservation. Conservation is a pro-environmental behavior, an act intended to benefit the environment surrounding a person. I posit that a transdisciplinary model, the community landscape model of the pro-environmental behavior, unifies the conceptually analogous - yet disparate - fields of landscape, community, and behavior towards explaining residential energy conservation actions. Specifically, the study attempted to describe links between the physical environment, social environment, and conservation behaviors through a mixed-method framework. Two Pennsylvania townships - Spring and East Buffalo townships - were selected from an analysis of housing, electricity consumption, and land cover trends. Key informants from both townships informed the design of a survey instrument that captured the utility consumption, residential conservation actions, energy and environmental values, types and levels of community engagement, perceived barriers, and socio-demographic information from 107 randomly selected households. A mixed-method analysis produced evidence that place-based values and intention to participate in the community were significantly linked to lower utility consumption in households. People who cared deeply about their town

  3. Control over Structure and Function of Peptide Amphiphile Supramolecular Assemblies through Molecular Design and Energy Landscapes

    Science.gov (United States)

    Tantakitti, Faifan

    Supramolecular chemistry is a powerful tool to create a material of a defined structure with tunable properties. This strategy has led to catalytically active, bioactive, and environment-responsive materials, among others, that are valuable in applications ranging from sensor technology to energy and medicine. Supramolecular polymers formed by peptide amphiphiles (PAs) have been especially relevant in tissue regeneration due to their ability to form biocompatible structures and mimic many important signaling molecules in biology. These supramolecular polymers can form nanofibers that create networks which mimic natural extracellular matrices. PA materials have been shown to induce growth of blood vessels, bone, cartilage, and nervous tissue, among others. The work described in this thesis not only studied the relationship between molecular structure and functions of PA assemblies, but also uncovered a powerful link between the energy landscape of their supramolecular self-assembly and the ability of PA materials to interact with cells. In chapter 2, it is argued that fabricating fibrous nanostructures with defined mechanical properties and decoration with bioactive molecules is not sufficient to create a material that can effectively communicate with cells. By systemically placing the fibronectin-derived RGDS epitope at increasing distances from the surface of PA nanofibers through a linker of one to five glycine residues, integrin-mediated RGDS signaling was enhanced. The results suggested that the spatial presentation of an epitope on PA nanofibers strongly influences the bioactivity of the PA substrates. In further improving functionality of a PA-based scaffold to effectively direct cell growth and differentiation, chapter 3 explored the use of a cell microcarrier to compartmentalize and simultaneously tune insoluble and soluble signals in a single matrix. PA nanofibers were incorporated at the surface of the microcarrier in order to promote cell adhesion, while

  4. PELE:  Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique.

    Science.gov (United States)

    Borrelli, Kenneth W; Vitalis, Andreas; Alcantara, Raul; Guallar, Victor

    2005-11-01

    Combining protein structure prediction algorithms and Metropolis Monte Carlo techniques, we provide a novel method to explore all-atom energy landscapes. The core of the technique is based on a steered localized perturbation followed by side-chain sampling as well as minimization cycles. The algorithm and its application to ligand diffusion are presented here. Ligand exit pathways are successfully modeled for different systems containing ligands of various sizes:  carbon monoxide in myoglobin, camphor in cytochrome P450cam, and palmitic acid in the intestinal fatty-acid-binding protein. These initial applications reveal the potential of this new technique in mapping millisecond-time-scale processes. The computational cost associated with the exploration is significantly less than that of conventional MD simulations.

  5. Quantitative analysis of the publishing landscape in High-Energy Physics

    CERN Document Server

    Mele, S; Vigen, Jens; Yeomans, Joanne

    2006-01-01

    World-wide collaboration in high-energy physics (HEP) is a tradition which dates back several decades, with scientific publications mostly coauthored by scientists from different countries. This coauthorship phenomenon makes it difficult to identify precisely the "share" of each country in HEP scientific production. One year's worth of HEP scientific articles published in peer-reviewed journals is analysed and their authors are uniquely assigned to countries. This method allows the first correct estimation on a pro rata basis of the share of HEP scientific publishing among several countries and institutions. The results provide an interesting insight into the geographical collaborative patterns of the HEP community. The HEP publishing landscape is further analysed to provide information on the journals favoured by the HEP community and on the geographical variation of their author bases. These results provide quantitative input to the ongoing debate on the possible transition of HEP publishing to an Open Acce...

  6. Free Energy Landscape of the Dissolution of Gibbsite at High pH

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Zhizhang; Kerisit, Sebastien N.; Stack, Andrew G.; Rosso, Kevin M.

    2018-03-26

    The individual elementary reactions involved in the dissolution of a solid into solution remain mostly speculative due to a lack of suitable, direct experimental probes. In this regard, we have applied atomistic simulations to map the free energy landscape of the dissolution of gibbsite from a step edge, as a model of metal hydroxide dissolution. The overall reaction combines kink site formation and kink site propagation. Two individual reactions were found to be rate-limiting for kink site formation, that is, the displacement of Al from a step site to a ledge adatom site and its detachment from ledge/terrace adatom sites into the solution. As a result, a pool of mobile and labile Al adsorbed species, or adatoms, exists before the release of Al into solution. Because of the quasi-hexagonal symmetry of gibbsite, kink site propagation can occur in multiple directions. Overall, the simulation results will enable the development of microscopic mechanistic models of metal oxide dissolution.

  7. Wind energy under cold climate conditions

    Energy Technology Data Exchange (ETDEWEB)

    Maribo Pedersen, B.

    1999-03-01

    There is an increasing interest in wind energy production under different climatic conditions, among them cold climate and icing conditions. More and more wind turbines are being installed in cold climates and even adapted technology has been developed for that environment. Various national activities are going on in at least Finland, Canada, Italy, Sweden, etc. and international collaboration has been carried out within the European Union's Non-nuclear energy programme. Wind turbine operation is affected by both the cold temperatures and the formation of ice on the blades and the supporting structure. Cold temperatures can be handled by material selections known in other technical fields but to prevent icing, new techniques have to be - and have been - developed. Icing affects the reliability of anemometers, which concerns both turbine control and resource estimation, and changes the aerodynamics of the blades, which eventually stops the turbine. In addition, occasional icing events can locally affect public safety. The development of applied technology has entered some different paths and different solutions are tried out. As the applications are entering a commercial phase, these is a request to gather the experiences and monitor the reliability in a form that can be utilised by developers, manufactureres, consultants and other tenderers. The Topical Experts Meeting will focus on site classification, operational experiences, modelling and mesurements of ice induced loads and safety aspects. (EHS)

  8. The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

    International Nuclear Information System (INIS)

    Nguyen, Duc; Girolami, Gregory S.; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Lyding, Joseph; Gruebele, Martin

    2014-01-01

    Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB 2 glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB 2 has a very high bulk glass transition temperature T g , and we observe no three-state hopping or sequential two-state hopping previously seen on lower T g glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses

  9. Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Sastry, S.; Dyre, Jeppe

    2000-01-01

    An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the ......An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence...... for the long held view that below a crossover temperature, Tx, the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 3728 (1969)], i.e., the dynamics become "dominated" by the potential energy...... landscape. In agreement with previous proposals, we find that Tx is within the vicinity of the mode-coupling critical temperature Tc. We further find that near Tx, transitions between inherent structures occur via cooperative, stringlike rearrangements of groups of particles moving distances substantially...

  10. Landscapes for Energy and Wildlife: Conservation Prioritization for Golden Eagles across Large Spatial Scales.

    Directory of Open Access Journals (Sweden)

    Jason D Tack

    Full Text Available Proactive conservation planning for species requires the identification of important spatial attributes across ecologically relevant scales in a model-based framework. However, it is often difficult to develop predictive models, as the explanatory data required for model development across regional management scales is rarely available. Golden eagles are a large-ranging predator of conservation concern in the United States that may be negatively affected by wind energy development. Thus, identifying landscapes least likely to pose conflict between eagles and wind development via shared space prior to development will be critical for conserving populations in the face of imposing development. We used publically available data on golden eagle nests to generate predictive models of golden eagle nesting sites in Wyoming, USA, using a suite of environmental and anthropogenic variables. By overlaying predictive models of golden eagle nesting habitat with wind energy resource maps, we highlight areas of potential conflict among eagle nesting habitat and wind development. However, our results suggest that wind potential and the relative probability of golden eagle nesting are not necessarily spatially correlated. Indeed, the majority of our sample frame includes areas with disparate predictions between suitable nesting habitat and potential for developing wind energy resources. Map predictions cannot replace on-the-ground monitoring for potential risk of wind turbines on wildlife populations, though they provide industry and managers a useful framework to first assess potential development.

  11. Comparing Nitrous Oxide Emissions from Three Residential Landscapes under Different Management Schemes Following Natural Rainfall Events

    Science.gov (United States)

    Cultural lawn management practices that produce aesthetically appealing landscapes may also create environmental conditions that stimulate soil nitrous oxide (N2O) emissions. The purpose of this study is to investigate the effects of lawn management practices on N2O fluxes from ...

  12. Past and future landscape dynamics in pasture-woodlands of the Swiss Jura Mountains under climate change

    Directory of Open Access Journals (Sweden)

    Alexander Peringer

    2013-09-01

    We present a refined version of the spatially explicit, dynamic simulation model WoodPaM with improved climate sensitivity of simulated vegetation. We investigate pasture-woodland dynamics by applying an innovative combination of retrospective simulations starting in the Middle Ages with prospective simulations following two climate change scenarios. The retrospective simulations demonstrate the strong dependency of the landscape mosaic on both climate and management. In high elevation mountain pastures, climate cooling during the Little Ice Age hindered simulated tree regeneration and reduced forage production of grasslands. Both led to an increase in open grassland and to a structural simplification of the landscape. In turn, climate warming afterwards showed the opposite effect. At lower elevations, high cattle stocking rates generally dominate simulated succession, leading to a slow development of quite homogenous landscapes whose structures are hardly affected by historical climate variability. Aerial photographs suggest that logging and windstorms critically shaped the current landscape, both homogenizing mosaic structures that emerge from selective grazing. Simulations of climate change scenarios suggest delayed but inevitable structural changes in the landscape mosaic and a temporary breakdown of the ecosystem service wood production. The population of currently dominating Norway spruce collapses due to simulated drought. Spruce is only slowly replaced either by beech under moderate warming or by Scots pine under extreme warming. In general, the shift in tree species dominance results in landscapes of less structural richness than today. In order to maintain the mosaic structure of pasture-woodlands, we recommend a future increase in cattle stocking on mountain pastures. The (re- introduction of mixed herds (cattle with horses, sheep, and goats could mitigate the simulated trend towards structural homogenization of the forest-grassland mosaic because

  13. Anomalous dimensionality dependence of diffusion in a rugged energy landscape: How pathological is one dimension?

    Science.gov (United States)

    Seki, Kazuhiko; Bagchi, Kaushik; Bagchi, Biman

    2016-05-01

    Diffusion in one dimensional rugged energy landscape (REL) is predicted to be pathologically different (from any higher dimension) with a much larger chance of encountering broken ergodicity [D. L. Stein and C. M. Newman, AIP Conf. Proc. 1479, 620 (2012)]. However, no quantitative study of this difference has been reported, despite the prevalence of multidimensional physical models in the literature (like a high dimensional funnel guiding protein folding/unfolding). Paradoxically, some theoretical studies of these phenomena still employ a one dimensional diffusion description for analytical tractability. We explore the dimensionality dependent diffusion on REL by carrying out an effective medium approximation based analytical calculations and compare them with the available computer simulation results. We find that at an intermediate level of ruggedness (assumed to have a Gaussian distribution), where diffusion is well-defined, the value of the effective diffusion coefficient depends on dimensionality and changes (increases) by several factors (˜5-10) in going from 1d to 2d. In contrast, the changes in subsequent transitions (like 2d to 3d and 3d to 4d and so on) are far more modest, of the order of 10-20% only. When ruggedness is given by random traps with an exponential distribution of barrier heights, the mean square displacement (MSD) is sub-diffusive (a well-known result), but the growth of MSD is described by different exponents in one and higher dimensions. The reason for such strong ruggedness induced retardation in the case of one dimensional REL is discussed. We also discuss the special limiting case of infinite dimension (d = ∞) where the effective medium approximation becomes exact and where theoretical results become simple. We discuss, for the first time, the role of spatial correlation in the landscape on diffusion of a random walker.

  14. Tuning Surface Energy Landscapes in Metallic Quantum Films using Alkali Adsorbates

    Science.gov (United States)

    Khajetoorians, Alexander; Qin, Shengyong; Zhu, Wenguang; Eisele, Holger; Zhang, Zhenyu; Shih, Chih-Kang

    2008-03-01

    Quantum confinement shows a strong interplay with growth and kinetics in thin metal systems where the Fermi wavelength has a special relationship to the surface normal lattice constant. In the case of Pb/Si(111) systems, this relationship reveals an interesting thickness-dependent bilayer oscillation in the density of states and surface energy up to a phase. In this paper, we report on a novel effect: tuning of the energy landscape of a flat-top quantum Pb mesa using Cs adsorbates. Using STM/STS, we show that depositing Cs adsorbates on a thin Pb mesa promotes quantum stable Pb nanoislands on preferentially unstable thicknesses. Thickness-dependent nanoisland densities show a strong bilayer oscillation correlating with quantum stability. By modifying the Cs coverage on the mesa surface, we can tune the lateral size distribution of the nanoislands and the overall amplitude of the island density oscillation. Nanoisland formation is linked to a step decoration of Cs adatoms along the step edge of the nanoisland.

  15. Hybrid organic–inorganic inks flatten the energy landscape in colloidal quantum dot solids

    KAUST Repository

    Liu, Mengxia

    2016-11-14

    Bandtail states in disordered semiconductor materials result in losses in open-circuit voltage (Voc) and inhibit carrier transport in photovoltaics. For colloidal quantum dot (CQD) films that promise low-cost, large-area, air-stable photovoltaics, bandtails are determined by CQD synthetic polydispersity and inhomogeneous aggregation during the ligand-exchange process. Here we introduce a new method for the synthesis of solution-phase ligand-exchanged CQD inks that enable a flat energy landscape and an advantageously high packing density. In the solid state, these materials exhibit a sharper bandtail and reduced energy funnelling compared with the previous best CQD thin films for photovoltaics. Consequently, we demonstrate solar cells with higher Voc and more efficient charge injection into the electron acceptor, allowing the use of a closer-to-optimum bandgap to absorb more light. These enable the fabrication of CQD solar cells made via a solution-phase ligand exchange, with a certified power conversion efficiency of 11.28%. The devices are stable when stored in air, unencapsulated, for over 1,000 h.

  16. Strategies for the exploration of free energy landscapes: Unity in diversity and challenges ahead

    Directory of Open Access Journals (Sweden)

    Fabio Pietrucci

    2017-11-01

    Full Text Available Computer simulations play an important role in the study of transformation processes of condensed matter, including phase transitions, chemical reactions, and conformational changes of biomolecules. In principle, atomic trajectories, such as those generated using the molecular dynamics approach, contain detailed structural, thermodynamic, and kinetic information about activated processes. In practice, due to free energy barriers, there is often a wide gap between the time scale of the transformation and the time scale accessible with simulations. This review offers a practical guide to the ingenious methods aimed to accelerate the exploration and reconstruction of free energy landscapes of complex systems. The focus is on basic unifying concepts, successful strategies, and pitfalls, illustrated with examples of application to scientific problems from different disciplines. The current challenges in the field consist mainly in the cumbersome identification of optimal reaction coordinates and in the extensive recourse to expert human supervision and fine tuning of the algorithms. The full achievement of wide-spectrum formulations and easy reproducibility of results would constitute the breakthrough necessary to enter the era of routine use of enhanced sampling simulations.

  17. Hybrid organic–inorganic inks flatten the energy landscape in colloidal quantum dot solids

    KAUST Repository

    Liu, Mengxia; Voznyy, Oleksandr; Sabatini, Randy; Arquer, F.  Pelayo Garcí a de; Munir, Rahim; Balawi, Ahmed  Hesham; Lan, Xinzheng; Fan, Fengjia; Walters, Grant; Kirmani, Ahmad R.; Hoogland, Sjoerd; Laquai, Fré dé ric; Amassian, Aram; Sargent, Edward  H.

    2016-01-01

    Bandtail states in disordered semiconductor materials result in losses in open-circuit voltage (Voc) and inhibit carrier transport in photovoltaics. For colloidal quantum dot (CQD) films that promise low-cost, large-area, air-stable photovoltaics, bandtails are determined by CQD synthetic polydispersity and inhomogeneous aggregation during the ligand-exchange process. Here we introduce a new method for the synthesis of solution-phase ligand-exchanged CQD inks that enable a flat energy landscape and an advantageously high packing density. In the solid state, these materials exhibit a sharper bandtail and reduced energy funnelling compared with the previous best CQD thin films for photovoltaics. Consequently, we demonstrate solar cells with higher Voc and more efficient charge injection into the electron acceptor, allowing the use of a closer-to-optimum bandgap to absorb more light. These enable the fabrication of CQD solar cells made via a solution-phase ligand exchange, with a certified power conversion efficiency of 11.28%. The devices are stable when stored in air, unencapsulated, for over 1,000 h.

  18. Simulating streamflow in ungauged basins under a changing climate: The importance of landscape characteristics

    Science.gov (United States)

    Teutschbein, Claudia; Grabs, Thomas; Laudon, Hjalmar; Karlsen, Reinert H.; Bishop, Kevin

    2018-06-01

    In this paper we explored how landscape characteristics such as topography, geology, soils and land cover influence the way catchments respond to changing climate conditions. Based on an ensemble of 15 regional climate models bias-corrected with a distribution-mapping approach, present and future streamflow in 14 neighboring and rather similar catchments in Northern Sweden was simulated with the HBV model. We established functional relationships between a range of landscape characteristics and projected changes in streamflow signatures. These were then used to analyze hydrological consequences of physical perturbations in a hypothetically ungauged basin in a climate change context. Our analysis showed a strong connection between the forest cover extent and the sensitivity of different components of a catchment's hydrological regime to changing climate conditions. This emphasizes the need to redefine forestry goals and practices in advance of climate change-related risks and uncertainties.

  19. Landscape genomic prediction for restoration of a Eucalyptus foundation species under climate change.

    Science.gov (United States)

    Supple, Megan Ann; Bragg, Jason G; Broadhurst, Linda M; Nicotra, Adrienne B; Byrne, Margaret; Andrew, Rose L; Widdup, Abigail; Aitken, Nicola C; Borevitz, Justin O

    2018-04-24

    As species face rapid environmental change, we can build resilient populations through restoration projects that incorporate predicted future climates into seed sourcing decisions. Eucalyptus melliodora is a foundation species of a critically endangered community in Australia that is a target for restoration. We examined genomic and phenotypic variation to make empirical based recommendations for seed sourcing. We examined isolation by distance and isolation by environment, determining high levels of gene flow extending for 500 km and correlations with climate and soil variables. Growth experiments revealed extensive phenotypic variation both within and among sampling sites, but no site-specific differentiation in phenotypic plasticity. Model predictions suggest that seed can be sourced broadly across the landscape, providing ample diversity for adaptation to environmental change. Application of our landscape genomic model to E. melliodora restoration projects can identify genomic variation suitable for predicted future climates, thereby increasing the long term probability of successful restoration. © 2018, Supple et al.

  20. The landscape pattern characteristics of coastal wetlands in Jiaozhou Bay under the impact of human activities.

    Science.gov (United States)

    Gu, Dongqi; Zhang, Yuanzhi; Fu, Jun; Zhang, Xuliang

    2007-01-01

    In this study, we interpreted coastal wetland types from an ASTER satellite image in 2002, and then compared the results with the land-use status of coastal wetlands in 1952 to determine the wetland loss and degradation around Jiaozhou Bay. Seven types of wetland landscape were classified, namely: shallow open water, inter-tidal flats, estuarine water, brackish marshes, salt ponds, fishery ponds and ports. Several landscape pattern indices were analysed: the results indicate that the coastal wetlands have been seriously degraded. More and more natural wetlands have been transformed into artificial wetlands, which covered about 33.7% of the total wetlands in 2002. In addition, we used a defined model to assess the impacts of human activities on coastal wetlands. The results obtained show that the coastal wetlands of Jiaozhou Bay have suffered severe human disturbance. Effective coastal management and control is therefore needed to solve the issues of the coastal wetland loss and degradation existing in this area.

  1. Probing the energy landscape of alanine dipeptide and decalanine using temperature as a tunable parameter in molecular dynamics

    International Nuclear Information System (INIS)

    Chatterjee, A; Bhattacharya, S

    2016-01-01

    We perform several molecular dynamics (MD) calculations of solvated alanine dipeptide and decalanine in vacuum with temperature as a tunable parameter and in the process, generate Markov state models (MSMs) at each temperature. An interesting observation that the kinetic rates appear to obey the Arrhenius rate law allows us to predict the dynamics of alanine dipeptide at 300 K at the microsecond timescales using the nanoseconds long high temperature calculations without actually performing MD simulations at 300 K. We conclude that the energy landscape of alanine dipeptide contains superbasins deeper than k B T and determine the energy barriers associated with the moves from the Arrhenius rate expression. Similar insights regarding the energy landscape associated with folding/unfolding pathways of a deca-alanine molecule are obtained using kinetic rates calculated at different temperatures. (paper)

  2. ENERGY REVOLUTION UNDER THE BRICS NATIONS

    Directory of Open Access Journals (Sweden)

    M. K. Sahu

    2016-01-01

    Full Text Available The BRICS countries are of critical importance to both supply and demand fundamentals of energy markets globally. Today BRICS plays a very important role in the system of international energy security. BRICS energy diversification is driven by concerns for energy security. The potential for a BRIC energy partnership is thus enormous. The development of the BRIC countries in the next coming decades will include demographic changes with a growing middle class population which will demand more energy and resources that our world has the potential to supply.A Green Energy Revolution is the panacea to solve major social, economic and envi­ronmental effects of their growing populations. This paper is an attempt to highlight the cooperation among the BRICS Nations for the development of Energy Sector and at the same time the concerning issue of climate change etc. It further discusses about the contribution of BRICS countries in the global economy. This paper also discusses about the role of the BRICS Nations in collaboration with the International Energy Agency.

  3. Africa's energy sector: energy availability and the underlying financial challenges

    International Nuclear Information System (INIS)

    Lebesa, Motselisi; Ndyeshobola, Ahmed.

    1994-01-01

    The objective of this paper is to provide a brief overview of energy availability in Africa and the attendant financing concerns in the African energy sector. The paper departs from three key premises: firstly that energy resources in Africa are abundant, but current trends in its consumption and inherent externalities are unsustainable. This abundance is also affected by social and political stability. Secondly, that the majority of Africa's population lacks access to adequate energy services. Poverty issues and effects undermine the urgency of energy and environmental concerns. Thirdly, that Africa's sustainable development calls for more energy supply not less. Future energy requirements and related supply and financing issues are discussed with the time horizon of the year 2020. (author)

  4. Free energy landscape and multiple folding pathways of an H-type RNA pseudoknot.

    Directory of Open Access Journals (Sweden)

    Yunqiang Bian

    Full Text Available How RNA sequences fold to specific tertiary structures is one of the key problems for understanding their dynamics and functions. Here, we study the folding process of an H-type RNA pseudoknot by performing a large-scale all-atom MD simulation and bias-exchange metadynamics. The folding free energy landscapes are obtained and several folding intermediates are identified. It is suggested that the folding occurs via multiple mechanisms, including a step-wise mechanism starting either from the first helix or the second, and a cooperative mechanism with both helices forming simultaneously. Despite of the multiple mechanism nature, the ensemble folding kinetics estimated from a Markov state model is single-exponential. It is also found that the correlation between folding and binding of metal ions is significant, and the bound ions mediate long-range interactions in the intermediate structures. Non-native interactions are found to be dominant in the unfolded state and also present in some intermediates, possibly hinder the folding process of the RNA.

  5. Energy production from grassland - Assessing the sustainability of different process chains under German conditions

    International Nuclear Information System (INIS)

    Roesch, Christine; Skarka, J.; Raab, K.; Stelzer, V.

    2009-01-01

    In many regions of Europe, grassland shapes the landscape and fulfils important functions in protecting nature, soil, and water. However, the traditional uses of grassland for forage production are vanishing with progress in breeding and structural adaptations in agriculture. On the other hand, the demand for biomass energy is rising due to political sustainability goals and financial measures to support renewable energy. Against this background, the Institute for Technology Assessment and Systems Analysis investigated the applicability, economic efficiency, and sustainability of different techniques for energy production from grassland as well as from grassland converted into maize fields or short-rotation poplars under German conditions. The results show that despite relatively high energy prices and the financial support for bioenergy, the effects of energy production from grassland on employment in agriculture and farmers' income are modest. What is beneficial are savings in non-renewable energy, reductions in greenhouse gas emissions, and local provision of energy carriers. If grassland biomass (grass silage or hay) is used for energy purposes, this brings the further advantages of preserving biodiversity and the cultural landscape and protecting of soil and groundwater. Negative impacts on sustainable development result from an increase in emissions, which leads to acidification, eutrophication, and risks to human health. The overall evaluation indicates that short-rotation poplars are comparatively advantageous from the economic and ecological point of view. Therefore, a development plan for grassland is required to identify areas where grassland could be used as an energy resource or where it would be favourable to install energy plantations with fast-growing perennial plants

  6. Machine learning for the structure-energy-property landscapes of molecular crystals.

    Science.gov (United States)

    Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

    2018-02-07

    Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

  7. Landscape moderation of biodiversity patterns and processes - eight hypotheses.

    Science.gov (United States)

    Tscharntke, Teja; Tylianakis, Jason M; Rand, Tatyana A; Didham, Raphael K; Fahrig, Lenore; Batáry, Péter; Bengtsson, Janne; Clough, Yann; Crist, Thomas O; Dormann, Carsten F; Ewers, Robert M; Fründ, Jochen; Holt, Robert D; Holzschuh, Andrea; Klein, Alexandra M; Kleijn, David; Kremen, Claire; Landis, Doug A; Laurance, William; Lindenmayer, David; Scherber, Christoph; Sodhi, Navjot; Steffan-Dewenter, Ingolf; Thies, Carsten; van der Putten, Wim H; Westphal, Catrin

    2012-08-01

    Understanding how landscape characteristics affect biodiversity patterns and ecological processes at local and landscape scales is critical for mitigating effects of global environmental change. In this review, we use knowledge gained from human-modified landscapes to suggest eight hypotheses, which we hope will encourage more systematic research on the role of landscape composition and configuration in determining the structure of ecological communities, ecosystem functioning and services. We organize the eight hypotheses under four overarching themes. Section A: 'landscape moderation of biodiversity patterns' includes (1) the landscape species pool hypothesis-the size of the landscape-wide species pool moderates local (alpha) biodiversity, and (2) the dominance of beta diversity hypothesis-landscape-moderated dissimilarity of local communities determines landscape-wide biodiversity and overrides negative local effects of habitat fragmentation on biodiversity. Section B: 'landscape moderation of population dynamics' includes (3) the cross-habitat spillover hypothesis-landscape-moderated spillover of energy, resources and organisms across habitats, including between managed and natural ecosystems, influences landscape-wide community structure and associated processes and (4) the landscape-moderated concentration and dilution hypothesis-spatial and temporal changes in landscape composition can cause transient concentration or dilution of populations with functional consequences. Section C: 'landscape moderation of functional trait selection' includes (5) the landscape-moderated functional trait selection hypothesis-landscape moderation of species trait selection shapes the functional role and trajectory of community assembly, and (6) the landscape-moderated insurance hypothesis-landscape complexity provides spatial and temporal insurance, i.e. high resilience and stability of ecological processes in changing environments. Section D: 'landscape constraints on

  8. Piezoelectric energy harvester under parquet floor

    Science.gov (United States)

    Bischur, E.; Schwesinger, N.

    2011-03-01

    The design, fabrication and testing of piezoelectric energy harvesting modules for floors is described. These modules are used beneath a parquet floor to harvest the energy of people walking over it. The harvesting modules consist of monoaxial stretched PVDF-foils. Multilayer modules are built up as roller-type capacitors. The fabrication process of the harvesting modules is simple and very suitable for mass production. Due to the use of organic polymers, the modules are characterized by a great flexibility and the possibility to create them in almost any geometrical size. The energy yield was determined depending on the dynamic loading force, the thickness of piezoelectric active material, the size of the piezoelectric modules, their alignment in the walking direction and their position on the floor. An increase of the energy yield at higher loading forces and higher thicknesses of the modules was observed. It was possible to generate up to 2.1mWs of electric energy with dynamic loads of 70kg using a specific module design. Furthermore a test floor was assembled to determine the influence of the size, alignment and position of the modules on the energy yield.

  9. Elephant population growth in Kruger National Park, South Africa, under a landscape management approach

    Directory of Open Access Journals (Sweden)

    Sam M. Ferreira

    2017-08-01

    Full Text Available South African National Parks (SANParks manage landscapes rather than numbers of elephants (Loxodonta africana to mitigate the effects that elephants may have on biodiversity, tourism and stakeholder conservation values associated with protected areas. This management philosophy imposes spatial variability of critical resources on elephants. Restoration of such ecological processes through less intensive management predicts a reduction in population growth rates from the eras of intensive management. We collated aerial survey data since 1995 and conducted an aerial total count using a helicopter observation platform during 2015. A minimum of 17 086 elephants were resident in the Kruger National Park (KNP in 2015, growing at 4.2% per annum over the last generation of elephants (i.e. 12 years, compared to 6.5% annual population growth noted during the intensive management era ending in 1994. This may come from responses of elephants to density and environmental factors manifested through reduced birth rates and increased mortality rates. Authorities should continue to evaluate the demographic responses of elephants to landscape scale interventions directed at restoring the limitation of spatial variance in resource distribution on elephant spatiotemporal dynamics and the consequences that may have for other conservation values. Conservation implications: Conservation managers should continue with surveying elephants in a way that allows the extraction of key variables. Such variables should focus on measures that reflect on how theory predicts elephants should respond to management interventions.

  10. Strong field-matching effects in superconducting YBa2Cu3O7-δ films with vortex energy landscapes engineered via masked ion irradiation

    Science.gov (United States)

    Swiecicki, I.; Ulysse, C.; Wolf, T.; Bernard, R.; Bergeal, N.; Briatico, J.; Faini, G.; Lesueur, J.; Villegas, Javier E.

    2012-06-01

    We have developed a masked ion irradiation technique to engineer the energy landscape for vortices in oxide superconductors. This approach associates the possibility to design the landscape geometry at the nanoscale with the unique capability to adjust the depth of the energy wells for vortices. This enabled us to unveil the key role of vortex channeling in modulating the amplitude of the field matching effects with the artificial energy landscape, and to make the latter govern flux dynamics over an unusually wide range of temperatures and applied fields for high-temperature superconducting films.

  11. Energy transfer in turbulence under rotation

    Science.gov (United States)

    Buzzicotti, Michele; Aluie, Hussein; Biferale, Luca; Linkmann, Moritz

    2018-03-01

    It is known that rapidly rotating turbulent flows are characterized by the emergence of simultaneous upscale and downscale energy transfer. Indeed, both numerics and experiments show the formation of large-scale anisotropic vortices together with the development of small-scale dissipative structures. However the organization of interactions leading to this complex dynamics remains unclear. Two different mechanisms are known to be able to transfer energy upscale in a turbulent flow. The first is characterized by two-dimensional interactions among triads lying on the two-dimensional, three-component (2D3C)/slow manifold, namely on the Fourier plane perpendicular to the rotation axis. The second mechanism is three-dimensional and consists of interactions between triads with the same sign of helicity (homochiral). Here, we present a detailed numerical study of rotating flows using a suite of high-Reynolds-number direct numerical simulations (DNS) within different parameter regimes to analyze both upscale and downscale cascade ranges. We find that the upscale cascade at wave numbers close to the forcing scale is generated by increasingly dominant homochiral interactions which couple the three-dimensional bulk and the 2D3C plane. This coupling produces an accumulation of energy in the 2D3C plane, which then transfers energy to smaller wave numbers thanks to the two-dimensional mechanism. In the forward cascade range, we find that the energy transfer is dominated by heterochiral triads and is dominated primarily by interaction within the fast manifold where kz≠0 . We further analyze the energy transfer in different regions in the real-space domain. In particular, we distinguish high-strain from high-vorticity regions and we uncover that while the mean transfer is produced inside regions of strain, the rare but extreme events of energy transfer occur primarily inside the large-scale column vortices.

  12. Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression.

    Science.gov (United States)

    Meng, Yilin; Roux, Benoît

    2015-08-11

    The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost.

  13. Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin.

    Science.gov (United States)

    Shaffer, Patrick; Valsson, Omar; Parrinello, Michele

    2016-02-02

    The capabilities of molecular simulations have been greatly extended by a number of widely used enhanced sampling methods that facilitate escaping from metastable states and crossing large barriers. Despite these developments there are still many problems which remain out of reach for these methods which has led to a vigorous effort in this area. One of the most important problems that remains unsolved is sampling high-dimensional free-energy landscapes and systems that are not easily described by a small number of collective variables. In this work we demonstrate a new way to compute free-energy landscapes of high dimensionality based on the previously introduced variationally enhanced sampling, and we apply it to the miniprotein chignolin.

  14. Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin

    Science.gov (United States)

    Shaffer, Patrick; Valsson, Omar; Parrinello, Michele

    2016-01-01

    The capabilities of molecular simulations have been greatly extended by a number of widely used enhanced sampling methods that facilitate escaping from metastable states and crossing large barriers. Despite these developments there are still many problems which remain out of reach for these methods which has led to a vigorous effort in this area. One of the most important problems that remains unsolved is sampling high-dimensional free-energy landscapes and systems that are not easily described by a small number of collective variables. In this work we demonstrate a new way to compute free-energy landscapes of high dimensionality based on the previously introduced variationally enhanced sampling, and we apply it to the miniprotein chignolin. PMID:26787868

  15. Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

    Science.gov (United States)

    Li, Chen; Lu, Jianfeng; Yang, Weitao

    2015-12-14

    We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

  16. Energy management under policy and technology uncertainty

    International Nuclear Information System (INIS)

    Tylock, Steven M.; Seager, Thomas P.; Snell, Jeff; Bennett, Erin R.; Sweet, Don

    2012-01-01

    Energy managers in public agencies are subject to multiple and sometimes conflicting policy objectives regarding cost, environmental, and security concerns associated with alternative energy technologies. Making infrastructure investment decisions requires balancing different distributions of risks and benefits that are far from clear. For example, managers at permanent Army installations must incorporate Congressional legislative objectives, executive orders, Department of Defense directives, state laws and regulations, local restrictions, and multiple stakeholder concerns when undertaking new energy initiatives. Moreover, uncertainty with regard to alternative energy technologies is typically much greater than that associated with traditional technologies, both because the technologies themselves are continuously evolving and because the intermittent nature of many renewable technologies makes a certain level of uncertainty irreducible. This paper describes a novel stochastic multi-attribute analytic approach that allows users to explore different priorities or weighting schemes in combination with uncertainties related to technology performance. To illustrate the utility of this approach for understanding conflicting policy or stakeholder perspectives, prioritizing the need for more information, and making investment decisions, we apply this approach to an energy technology decision problem representative of a permanent military base. Highlights: ► Incorporate disparate criteria with uncertain performance. ► Analyze decisions with contrasting stakeholder positions. ► Interactively compare alternatives based on uncertain weighting. ► User friendly multi-criteria decision analysis (MCDA) tool.

  17. The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation.

    Science.gov (United States)

    Ruggiero, Michael T; Krynski, Marcin; Kissi, Eric Ofosu; Sibik, Juraj; Markl, Daniel; Tan, Nicholas Y; Arslanov, Denis; van der Zande, Wim; Redlich, Britta; Korter, Timothy M; Grohganz, Holger; Löbmann, Korbinian; Rades, Thomas; Elliott, Stephen R; Zeitler, J Axel

    2017-11-15

    The fundamental origins surrounding the dynamics of disordered solids near their characteristic glass transitions continue to be fiercely debated, even though a vast number of materials can form amorphous solids, including small-molecule organic, inorganic, covalent, metallic, and even large biological systems. The glass-transition temperature, T g , can be readily detected by a diverse set of techniques, but given that these measurement modalities probe vastly different processes, there has been significant debate regarding the question of why T g can be detected across all of them. Here we show clear experimental and computational evidence in support of a theory that proposes that the shape and structure of the potential-energy surface (PES) is the fundamental factor underlying the glass-transition processes, regardless of the frequency that experimental methods probe. Whilst this has been proposed previously, we demonstrate, using ab initio molecular-dynamics (AIMD) simulations, that it is of critical importance to carefully consider the complete PES - both the intra-molecular and inter-molecular features - in order to fully understand the entire range of atomic-dynamical processes in disordered solids. Finally, we show that it is possible to utilise this dependence to directly manipulate and harness amorphous dynamics in order to control the behaviour of such solids by using high-powered terahertz pulses to induce crystallisation and preferential crystal-polymorph growth in glasses. Combined, these findings provide compelling evidence that the PES landscape, and the corresponding energy barriers, are the ultimate controlling feature behind the atomic and molecular dynamics of disordered solids, regardless of the frequency at which they occur.

  18. Structural and kinetic mapping of side-chain exposure onto the protein energy landscape.

    Science.gov (United States)

    Bernstein, Rachel; Schmidt, Kierstin L; Harbury, Pehr B; Marqusee, Susan

    2011-06-28

    Identification and characterization of structural fluctuations that occur under native conditions is crucial for understanding protein folding and function, but such fluctuations are often rare and transient, making them difficult to study. Native-state hydrogen exchange (NSHX) has been a powerful tool for identifying such rarely populated conformations, but it generally reveals no information about the placement of these species along the folding reaction coordinate or the barriers separating them from the folded state and provides little insight into side-chain packing. To complement such studies, we have performed native-state alkyl-proton exchange, a method analogous to NSHX that monitors cysteine modification rather than backbone amide exchange, to examine the folding landscape of Escherichia coli ribonuclease H, a protein well characterized by hydrogen exchange. We have chosen experimental conditions such that the rate-limiting barrier acts as a kinetic partition: residues that become exposed only upon crossing the unfolding barrier are modified in the EX1 regime (alkylation rates report on the rate of unfolding), while those exposed on the native side of the barrier are modified predominantly in the EX2 regime (alkylation rates report on equilibrium populations). This kinetic partitioning allows for identification and placement of partially unfolded forms along the reaction coordinate. Using this approach we detect previously unidentified, rarely populated conformations residing on the native side of the barrier and identify side chains that are modified only upon crossing the unfolding barrier. Thus, in a single experiment under native conditions, both sides of the rate-limiting barrier are investigated.

  19. Selling power : marketing energy under deregulation

    Energy Technology Data Exchange (ETDEWEB)

    Drummond, J.; Hanna, F.

    2001-07-01

    This book discussed the marketing of energy in a deregulated environment. Experience from long distance telephone service providers has shown that historical dominance is not a guarantee for future success. As new brands are introduced and as consumer choice increases, so does the ability to change from one provider to another. Price is only one of the factors prompting that change. Old rules and practices do not bind new competitors who must face the challenge of open competition and must be aware of the ever-changing face of business. It was recommended that the strategic solution would be to build a brand and to develop significant market shares and create effective customer retention programs. This book focused on the elements that energy marketing professionals must use to maintain and increase share without product differentiation. It also explained how energy providers can effectively attract and retain customers over the long term while keeping marketing and service delivery costs down. It was suggested that small players can compete with the growing strength of regional providers by creating new alliances between larger energy conglomerates. The chapters of the book were entitled: (1) Introduction, (2) The Goals of Deregulation, (3) Strategic Marketing Choices, (4) Relationship Marketing, (5) The Role of Customer Service, (6) The Question of Outsourcing, and (7) Final Thoughts and Observations. 24 refs., 3 figs.

  20. Selling power : marketing energy under deregulation

    International Nuclear Information System (INIS)

    Drummond, J.; Hanna, F.

    2001-01-01

    This book discussed the marketing of energy in a deregulated environment. Experience from long distance telephone service providers has shown that historical dominance is not a guarantee for future success. As new brands are introduced and as consumer choice increases, so does the ability to change from one provider to another. Price is only one of the factors prompting that change. Old rules and practices do not bind new competitors who must face the challenge of open competition and must be aware of the ever-changing face of business. It was recommended that the strategic solution would be to build a brand and to develop significant market shares and create effective customer retention programs. This book focused on the elements that energy marketing professionals must use to maintain and increase share without product differentiation. It also explained how energy providers can effectively attract and retain customers over the long term while keeping marketing and service delivery costs down. It was suggested that small players can compete with the growing strength of regional providers by creating new alliances between larger energy conglomerates. The chapters of the book were entitled: (1) Introduction, (2) The Goals of Deregulation, (3) Strategic Marketing Choices, (4) Relationship Marketing, (5) The Role of Customer Service, (6) The Question of Outsourcing, and (7) Final Thoughts and Observations. 24 refs., 3 figs

  1. Statistical topography of fitness landscapes

    OpenAIRE

    Franke, Jasper

    2011-01-01

    Fitness landscapes are generalized energy landscapes that play an important conceptual role in evolutionary biology. These landscapes provide a relation between the genetic configuration of an organism and that organism’s adaptive properties. In this work, global topographical features of these fitness landscapes are investigated using theoretical models. The resulting predictions are compared to empirical landscapes. It is shown that these landscapes allow, at least with respe...

  2. Energy: they said it under oath

    International Nuclear Information System (INIS)

    Gay, Michel

    2013-01-01

    The author aims at denouncing the content of a report made by a parliamentary inquiry commission on the actual cost of electricity. He notably denounces the influence of the ecologist parliamentary group which wants the people believe in a better future based on the development of renewable energies and giving up nuclear. Therefore, he proposes the transcriptions of the different hearings on which the report was based, and outlines extracts which have been conjured away by the senator's report

  3. The effect of tensile stress on the conformational free energy landscape of disulfide bonds.

    Directory of Open Access Journals (Sweden)

    Padmesh Anjukandi

    Full Text Available Disulfide bridges are no longer considered to merely stabilize protein structure, but are increasingly recognized to play a functional role in many regulatory biomolecular processes. Recent studies have uncovered that the redox activity of native disulfides depends on their C-C-S-S dihedrals, χ2 and χ'2. Moreover, the interplay of chemical reactivity and mechanical stress of disulfide switches has been recently elucidated using force-clamp spectroscopy and computer simulation. The χ2 and χ'2 angles have been found to change from conformations that are open to nucleophilic attack to sterically hindered, so-called closed states upon exerting tensile stress. In view of the growing evidence of the importance of C-C-S-S dihedrals in tuning the reactivity of disulfides, here we present a systematic study of the conformational diversity of disulfides as a function of tensile stress. With the help of force-clamp metadynamics simulations, we show that tensile stress brings about a large stabilization of the closed conformers, thereby giving rise to drastic changes in the conformational free energy landscape of disulfides. Statistical analysis shows that native TDi, DO and interchain Ig protein disulfides prefer open conformations, whereas the intrachain disulfide bridges in Ig proteins favor closed conformations. Correlating mechanical stress with the distance between the two a-carbons of the disulfide moiety reveals that the strain of intrachain Ig protein disulfides corresponds to a mechanical activation of about 100 pN. Such mechanical activation leads to a severalfold increase of the rate of the elementary redox S(N2 reaction step. All these findings constitute a step forward towards achieving a full understanding of functional disulfides.

  4. Characterizing European cultural landscapes

    DEFF Research Database (Denmark)

    Tieskens, Koen F.; Schulp, Catharina J E; Levers, Christian

    2017-01-01

    intensification and land abandonment. To prevent the loss of cultural landscapes, knowledge on the location of different types of cultural landscapes is needed. In this paper, we present a characterization of European cultural landscapes based on the prevalence of three key dimensions of cultural landscapes......Almost all rural areas in Europe have been shaped or altered by humans and can be considered cultural landscapes, many of which now are considered to entail valuable cultural heritage. Current dynamics in land management have put cultural landscapes under a huge pressure of agricultural...... the three dimensions into a continuous “cultural landscape index” that allows for a characterization of Europe's rural landscapes. The characterization identifies hotspots of cultural landscapes, where all three dimensions are present, such as in the Mediterranean. On the other hand, Eastern and Northern...

  5. Influence of landscape mosaic on streamflow of a peri-urban catchment under Mediterranean climate

    Science.gov (United States)

    Ferreira, Carla; Walsh, Rory; Ferreira, António

    2017-04-01

    Peri-urban areas tend to be characterized by patchy landscape mosaics of different land-uses. Although the impact of land-use changes on catchment hydrology have been widely investigated, the impact of mixed land-use patterns on the streamflow of peri-urban areas is still poorly understood. This study aims to (i) explore and quantify streamflow delivery from sub-catchments characterized by distinct landscape mosaics; (ii) assess the impact of different urbanization styles on hydrograph properties; and (iii) explore the influence of urbanization type on flow connectivity and stream discharge. The study was carried out in Ribeira dos Covões, a small (6.2km2) peri-urban catchment in central Portugal. The climate is Mediterranean, with a mean annual rainfall of 892mm. Catchment geology comprises sandstone (56%), limestone (41%) and alluvial deposits (3%). Soils developed on sandstone are generally deep (>3m) Fluvisols and Podsols, whereas on limestone the Leptic Cambisols are typically shallow (blocks and of high population density (9900 inhabitants km-2). The study uses hydrological data recorded over three hydrological years, starting in November 2010, in a monitoring network comprising eight streamflow gauging stations (instrumented with water level recorders) and five rainfall gauges. The gauging stations provide information on the discharge response to rainstorms of the catchment outlet and upstream sub-catchments of different size, urban pattern (in terms of percentage urban land-use and impervious area, distance to the stream network, and storm water management), and lithology (either sandstone or limestone). Annual storm runoff coefficients were lowest (13.7%) in catchments dominated by forest (>80%) and greatest (17.3-17.6%) in the most urbanized sub-catchments (49-53% urban). Impervious area seems to control streamflow particularly during dry periods. Winter runoff (streamflow per unit area) was 2-4 times higher than summer runoff in highly urbanized areas

  6. Nature-based solutions for urban landscapes under post-industrialization and globalization: Barcelona versus Shanghai.

    Science.gov (United States)

    Fan, Peilei; Ouyang, Zutao; Basnou, Corina; Pino, Joan; Park, Hogeun; Chen, Jiquan

    2017-07-01

    Using Barcelona and Shanghai as case studies, we examined the nature-based solutions (NBS) in urban settings-specifically within cities experiencing post-industrialization and globalization. Our specific research questions are: (1) What are the spatiotemporal changes in urban built-up land and green space in Barcelona and Shanghai? (2) What are the relationships between economic development, exemplified by post-industrialization, globalization, and urban green space? Urban land use and green space change were evaluated using data derived from a variety of sources, including satellite images, landscape matrix indicators, and a land conversion matrix. The relationships between economic development, globalization, and environmental quality were analyzed through partial least squares structural equation modeling based on secondary statistical data. Both Barcelona and Shanghai have undergone rapid urbanization, with urban expansion in Barcelona beginning in the 1960s-1970s and in Shanghai in the last decade. While Barcelona's urban green space and green space per capita began declining between the 1950s and 1990s, they increased slightly over the past two decades. Shanghai, however, has consistently and significantly improved urban green space and green space per capita over the past six decades, especially since the economic reform in 1978. Economic development has a direct and significant influence on urban green space for both cities and post-industrialization had served as the main driving force for urban landscape change in Barcelona and Shanghai. Based on secondary statistical and qualitative data from on-site observations and interviews with local experts, we highlighted the institution's role in NBS planning. Furthermore, aspiration to become a global or globalizing city motivated both cities to use NBS planning as a place-making tool to attract global investment, which is reflected in various governing policies and regulations. The cities' effort to achieve a

  7. Interactions of landscape disturbances and climate change dictate ecological pattern and process: spatial modeling of wildfire, insect, and disease dynamics under future climates

    Science.gov (United States)

    Loehman, Rachel A.; Keane, Robert E.; Holsinger, Lisa M.; Wu, Zhiwei

    2016-01-01

    ContextInteractions among disturbances, climate, and vegetation influence landscape patterns and ecosystem processes. Climate changes, exotic invasions, beetle outbreaks, altered fire regimes, and human activities may interact to produce landscapes that appear and function beyond historical analogs.ObjectivesWe used the mechanistic ecosystem-fire process model FireBGCv2 to model interactions of wildland fire, mountain pine beetle (Dendroctonus ponderosae), and white pine blister rust (Cronartium ribicola) under current and future climates, across three diverse study areas.MethodsWe assessed changes in tree basal area as a measure of landscape response over a 300-year simulation period for the Crown of the Continent in north-central Montana, East Fork of the Bitterroot River in western Montana, and Yellowstone Central Plateau in western Wyoming, USA.ResultsInteracting disturbances reduced overall basal area via increased tree mortality of host species. Wildfire decreased basal area more than beetles or rust, and disturbance interactions modeled under future climate significantly altered landscape basal area as compared with no-disturbance and current climate scenarios. Responses varied among landscapes depending on species composition, sensitivity to fire, and pathogen and beetle suitability and susceptibility.ConclusionsUnderstanding disturbance interactions is critical for managing landscapes because forest responses to wildfires, pathogens, and beetle attacks may offset or exacerbate climate influences, with consequences for wildlife, carbon, and biodiversity.

  8. Enteric disease surveillance under the AFHSC-GEIS: Current efforts, landscape analysis and vision forward

    Directory of Open Access Journals (Sweden)

    Kasper Matthew R

    2011-03-01

    Full Text Available Abstract The mission of the Armed Forces Health Surveillance Center, Division of Global Emerging Infections Surveillance and Response System (AFHSC-GEIS is to support global public health and to counter infectious disease threats to the United States Armed Forces, including newly identified agents or those increasing in incidence. Enteric diseases are a growing threat to U.S. forces, which must be ready to deploy to austere environments where the risk of exposure to enteropathogens may be significant and where routine prevention efforts may be impractical. In this report, the authors review the recent activities of AFHSC-GEIS partner laboratories in regards to enteric disease surveillance, prevention and response. Each partner identified recent accomplishments, including support for regional networks. AFHSC/GEIS partners also completed a Strengths, Weaknesses, Opportunities and Threats (SWOT survey as part of a landscape analysis of global enteric surveillance efforts. The current strengths of this network include excellent laboratory infrastructure, equipment and personnel that provide the opportunity for high-quality epidemiological studies and test platforms for point-of-care diagnostics. Weaknesses include inconsistent guidance and a splintered reporting system that hampers the comparison of data across regions or longitudinally. The newly chartered Enterics Surveillance Steering Committee (ESSC is intended to provide clear mission guidance, a structured project review process, and central data management and analysis in support of rationally directed enteric disease surveillance efforts.

  9. Modeling long-term changes in forested landscapes and their relation to the Earth's energy balance

    Science.gov (United States)

    Shugart, H. H.; Emanuel, W. R.; Solomon, A. M.

    1984-01-01

    The dynamics of the forested parts of the Earth's surface on time scales from decades to centuries are discussed. A set of computer models developed at Oak Ridge National Laboratory and elsewhere are applied as tools. These models simulate a landscape by duplicating the dynamics of growth, death and birth of each tree living on a 0.10 ha element of the landscape. This spatial unit is generally referred to as a gap in the case of the forest models. The models were tested against and applied to a diverse array of forests and appear to provide a reasonable representation for investigating forest-cover dynamics. Because of the climate linkage, one important test is the reconstruction of paleo-landscapes. Detailed reconstructions of changes in vegetation in response to changes in climate are crucial to understanding the association of the Earth's vegetation and climate and the response of the vegetation to climate change.

  10. Landscape preservation under ice? In-situ 10Be and 26Al from summit surfaces along Sognefjord, Norway

    DEFF Research Database (Denmark)

    Andersen, Jane Lund; Egholm, David Lundbek; Knudsen, Mads Faurschou

    then be used to determine the total Quaternary bedrock erosion between the summits. However, the amount of Quaternary erosion of these summit flats remains debated (e.g. Steer, 2012) Here, we present an extensive new dataset of in-situ produced cosmogenic 10Be and 26Al in bedrock and boulders from high...... and flat summits along a 200 km long transect from the coast to the inner parts of Sognefjorden. Our results indicate substantial glacial modification of the summits within the last 50 ka. Close to the coast, at an elevation of around 700 meters, the cosmogenic nuclide signal was reset around the Younger...... et al. Landscape preservation under Fennoscandian ice sheets determined from in situ produced 10 Be and 26 Al. Earth and Planetary Science Letters 201(2), 397-406, 2002. Gjermundsen et al. Minimal erosion of Arctic alpine topography during late Quaternary glaciation. Nature Geoscience 8(10), 789...

  11. Landscape transformation under the Gåsbreen glacier recession since 1899, southwestern Spitsbergen

    Directory of Open Access Journals (Sweden)

    Ziaja Wiesław

    2016-06-01

    Full Text Available Landscape changes of the Gåsbreen glacier and its vicinity since 1899 are described. Maps at 1:50 000 scale of changes of the glacier’s elevation and extent for the periods 1938–1961, 1961–1990, 1990–2010, and 1938–2010 are analyzed in comparison with results of the authors’ field work in the summer seasons 1983, 1984, 2000, 2005 and 2008. During all the 20th century, the progressive recession of the glacier revealed in a dramatic decrease in the thickness of its lower part, with a small reduction of its area and length. However, further shrinkage produced significant shortening and reduction in area which resulted in final decline of the Goësvatnet glacial dammed lake in 2002. Hence, the lowest (and very thick, up to 150–160 m part of the former glacier tongue and dammed lake were transformed into a new terraced river valley south of the glacier and a typical marginal zone with glacial landforms north of the glacier. Since 1961, the equilibrium line altitude of the Gåsbreen glacier has risen from ca 350 to ca 500 m a.s.l. and now is located below the very steep rocky walls of the Mehesten mountain ridge, 1378 m a.s.l. Hence, the glacier is being fed by snow avalanches from these rocky walls and much more snow melts during the warmer summer seasons, stimulating a quicker recession of the lowest part of the glacier. This recession may be stopped only by significant climate cooling or increase in snow.

  12. The inherent dynamics of a molecular liquid: Geodesic pathways through the potential energy landscape of a liquid of linear molecules

    Science.gov (United States)

    Jacobson, Daniel; Stratt, Richard M.

    2014-05-01

    Because the geodesic pathways that a liquid follows through its potential energy landscape govern its slow, diffusive motion, we suggest that these pathways are logical candidates for the title of a liquid's "inherent dynamics." Like their namesake "inherent structures," these objects are simply features of the system's potential energy surface and thus provide views of the system's structural evolution unobstructed by thermal kinetic energy. This paper shows how these geodesic pathways can be computed for a liquid of linear molecules, allowing us to see precisely how such molecular liquids mix rotational and translational degrees of freedom into their dynamics. The ratio of translational to rotational components of the geodesic path lengths, for example, is significantly larger than would be expected on equipartition grounds, with a value that scales with the molecular aspect ratio. These and other features of the geodesics are consistent with a picture in which molecular reorientation adiabatically follows translation—molecules largely thread their way through narrow channels available in the potential energy landscape.

  13. Gasification under EPACT2005. US Emerging Energy and Environmental Strategies

    International Nuclear Information System (INIS)

    Rosenberg, W.G.

    2005-11-01

    To celebrate its 50th anniversary, ECN gathered a group of 30 high-level energy experts to discuss climate change mitigation strategies and their implications for energy technology development. This summary reports the main findings of the international scientific symposium. It also gives an account of the principal lessons learned, and formulates recommendations for energy innovation policy-making in the European Union. In this presentation attention is paid to gasification under the USA Energy Policy Act of 2005 (EPACT2005)

  14. Colloids exposed to random potential energy landscapes: From particle number density to particle-potential and particle-particle interactions

    International Nuclear Information System (INIS)

    Bewerunge, Jörg; Capellmann, Ronja F.; Platten, Florian; Egelhaaf, Stefan U.; Sengupta, Ankush; Sengupta, Surajit

    2016-01-01

    Colloidal particles were exposed to a random potential energy landscape that has been created optically via a speckle pattern. The mean particle density as well as the potential roughness, i.e., the disorder strength, were varied. The local probability density of the particles as well as its main characteristics were determined. For the first time, the disorder-averaged pair density correlation function g (1) (r) and an analogue of the Edwards-Anderson order parameter g (2) (r), which quantifies the correlation of the mean local density among disorder realisations, were measured experimentally and shown to be consistent with replica liquid state theory results.

  15. Oil and Gas Development in Southwestern Wyoming - Energy Data and Services for the Wyoming Landscape Conservation Initiative (WLCI)

    Science.gov (United States)

    Biewick, Laura

    2009-01-01

    The purpose of this report is to explore current oil and gas energy development in the area encompassing the Wyoming Landscape Conservation Initiative. The Wyoming Landscape Conservation Initiative is a long-term science-based effort to ensure southwestern Wyoming's wildlife and habitat remain viable in areas facing development pressure. Wyoming encompasses some of the highest quality wildlife habitats in the Intermountain West. At the same time, this region is an important source of natural gas. Using Geographic Information System technology, energy data pertinent to the conservation decision-making process have been assembled to show historical oil and gas exploration and production in southwestern Wyoming. In addition to historical data, estimates of undiscovered oil and gas are included from the 2002 U.S. Geological Survey National Assessment of Oil and Gas in the Southwestern Wyoming Province. This report is meant to facilitate the integration of existing data with new knowledge and technologies to analyze energy resources development and to assist in habitat conservation planning. The well and assessment data can be accessed and shared among many different clients including, but not limited to, an online web-service for scientists and resource managers engaged in the Initiative.

  16. Study of landscape change under forest harvesting and climate warming-induced fire disturbance

    Science.gov (United States)

    S. He Hong; David J. Mladenoff; Eric J. Gustafson

    2002-01-01

    We examined tree species responses under forest harvesting and an increased fire disturbance scenario due to climate warming in northern Wisconsin where northern hardwood and boreal forests are currently predominant. Individual species response at the ecosystem scale was simulated with a gap model, which integrates soil, climate and species data, stratified by...

  17. LandscapeDNDC used to model nitrous oxide emissions from soils under an oak forest in southern England

    Science.gov (United States)

    Cade, Shirley; Clemitshaw, Kevin; Lowry, David; Yamulki, Sirwan; Casella, Eric; Molina, Saul; Haas, Edwin; Kiese, Ralf

    2013-04-01

    Nitrous oxide (N2O) is an important greenhouse gas, having a global warming potential of approximately 300 times that of carbon dioxide (CO2), and plays a significant role in depleting stratospheric ozone. Its principal source is microbial activity in soils and waters. Measured values of N2O emissions from soils show high temporal dynamics and a large range as a result of inter-related physico-chemical factors affecting the microbial processes, thus making predictions difficult. Emissions often occur in pulses following re-wetting, frost-thaw or management events such as N-fertilization, which further complicates predictions. Process-based models have been developed to help understand this emission variability and as potential tools for IPCC Tier 3 reporting on national emission inventories. Forests are promoted as sinks for CO2 and can be used as renewable sources of energy or longer term CO2 storage if timber is used in products such as in construction and furniture, provided appropriate replanting takes place. It is important that the effect of any changes in forest management and land use as a result of a desire to reduce CO2 emissions does not increase N2O emissions from forest soils, which are still poorly understood, compared to agricultural soils. LandscapeDNDC (Haas et al 2012) has been developed as a process-oriented model, based on the biogeochemical model, DNDC (Li et al, 1992), in order to simulate biosphere-atmosphere-hydrosphere exchanges at site and regional scales. It can model the carbon and nitrogen turnover and associated greenhouse gas (GHG) emissions of forest, agricultural and grassland ecosystems, and allows modelling of impacts of regional land use change over time. This study uses data (including forest growth, GHG emissions and soil moisture) from an oak forest, known as the Straits Enclosure, at Alice Holt in Hampshire, where extensive measurements have been made by Forest Research since 1995. It involves validation of the site scale

  18. Exploring the energy landscape of biopolymers using single molecule force spectroscopy and molecular simulations

    OpenAIRE

    Hyeon, Changbong

    2010-01-01

    In recent years, single molecule force techniques have opened a new avenue to decipher the folding landscapes of biopolymers by allowing us to watch and manipulate the dynamics of individual proteins and nucleic acids. In single molecule force experiments, quantitative analyses of measurements employing sound theoretical models and molecular simulations play central role more than any other field. With a brief description of basic theories for force mechanics and molecular simulation techniqu...

  19. Analyzing high resolution topography for advancing the understanding of mass and energy transfer through landscapes: A review

    Science.gov (United States)

    Passaiacquaa, Paola; Belmont, Patrick; Staley, Dennis M.; Simley, Jeffery; Arrowsmith, J. Ramon; Bode, Collin A.; Crosby, Christopher; DeLong, Stephen; Glenn, Nancy; Kelly, Sara; Lague, Dimitri; Sangireddy, Harish; Schaffrath, Keelin; Tarboton, David; Wasklewicz, Thad; Wheaton, Joseph

    2015-01-01

    The study of mass and energy transfer across landscapes has recently evolved to comprehensive considerations acknowledging the role of biota and humans as geomorphic agents, as well as the importance of small-scale landscape features. A contributing and supporting factor to this evolution is the emergence over the last two decades of technologies able to acquire high resolution topography (HRT) (meter and sub-meter resolution) data. Landscape features can now be captured at an appropriately fine spatial resolution at which surface processes operate; this has revolutionized the way we study Earth-surface processes. The wealth of information contained in HRT also presents considerable challenges. For example, selection of the most appropriate type of HRT data for a given application is not trivial. No definitive approach exists for identifying and filtering erroneous or unwanted data, yet inappropriate filtering can create artifacts or eliminate/distort critical features. Estimates of errors and uncertainty are often poorly defined and typically fail to represent the spatial heterogeneity of the dataset, which may introduce bias or error for many analyses. For ease of use, gridded products are typically preferred rather than the more information-rich point cloud representations. Thus many users take advantage of only a fraction of the available data, which has furthermore been subjected to a series of operations often not known or investigated by the user. Lastly, standard HRT analysis work-flows are yet to be established for many popular HRT operations, which has contributed to the limited use of point cloud data.In this review, we identify key research questions relevant to the Earth-surface processes community within the theme of mass and energy transfer across landscapes and offer guidance on how to identify the most appropriate topographic data type for the analysis of interest. We describe the operations commonly performed from raw data to raster products and

  20. Swinging control of two-pendulum system under energy constraints

    NARCIS (Netherlands)

    Ananyevskiy, M.S.; Fradkov, A.L.; Nijmeijer, H.; Leonov, G.; Nijmeijer, H.; Pogromsky, A.; Fradkov, A.

    2009-01-01

    A method for control of mechanical systems under phase constraints, applicable to energy control of Hamiltonian systems is proposed. The constrained energy control problem for two pendulums by a single control action is studied both analytically and numerically. It is shown that for a proper choice

  1. Municipal Energy Planning under Conditions of Globalization: Imperatives and Objectives

    Directory of Open Access Journals (Sweden)

    Horban Vasylyna B.

    2017-12-01

    Full Text Available The article reveals the importance of energy planning for local authorities in the path of achieving the goals of sustainable development. The quintessence of energy planning in territorial communities of Ukraine and Europe has been outlined from the perspective of analyzing the infrastructure sectors of the municipal economy. The article is based on observing certain international methodologies related to local energy and climate planning. The evolution of Covenant of Mayors initiative is briefly described with a focus on its intensive expanding in terms of energy and climate issues. The experience in the development of municipal sustainable energy and climate action plans in European countries and Ukraine is studied. A survey of empirical data on the consumption of fuel and energy resources and greenhouse gas emissions in territorial communities of Ukraine and European countries is conducted. The European methodological guidelines on the subject under study are highlighted based on the key policy documents. A few practical examples of Ukrainian and European cities are presented in order to illustrate possible actions corresponding to the defined problem. A systematic framework is proposed to describe the various and complex aspects of energy planning in cities with regard to rational implementation of energy efficient measures. The innovative mechanisms, main barriers and opportunities for the effective implementation of energy efficient projects in territorial communities of Ukraine and European countries are revealed. It is substantiated that under the current conditions of globalization, using project-oriented paradigm, municipal energy planning instruments become key motivational factors for development sustainable energy policy.

  2. Fugitive methane emissions from natural, urban, agricultural, and energy-production landscapes of eastern Australia

    Science.gov (United States)

    Kelly, Bryce F. J.; Iverach, Charlotte P.; Lowry, Dave; Fisher, Rebecca E.; France, James L.; Nisbet, Euan G.

    2015-04-01

    Modern cavity ringdown spectroscopy systems (CRDS) enable the continuous measurement of methane concentration. This allows for improved quantification of greenhouse gas emissions associated with various natural and human landscapes. We present a subset of over 4000 km of continuous methane surveying along the east coast of Australia, made using a Picarro G2301 CRDS, deployed in a utility vehicle with an air inlet above the roof at 2.2 mAGL. Measurements were made every 5 seconds to a precision of cut coal mines, unconventional gas developments (coal seam gas; CSG), and leaks detected in cities and country towns. In areas of dryland crops the median methane concentration was 1.78 ppm, while in the irrigation districts located on vertisol soils the concentration was as low as 1.76 ppm, which may indicate that these soils are a sink for methane. In the Hunter Valley, New South Wales, open-cut coal mining district we mapped a continuous 50 km interval where the concentration of methane exceeded 1.80 ppm. The median concentration in this interval was 2.02 ppm. Peak readings were beyond the range of the reliable measurement (in excess of 3.00 ppm). This extended plume is an amalgamation of plumes from 17 major pits 1 to 10 km in length. Adjacent to CSG developments in the Surat Basin, southeast Queensland, only small anomalies were detected near the well-heads. Throughout the vast majority of the gas fields the concentration of methane was below 1.80 ppm. The largest source of fugitive methane associated with CSG was off-gassing methane from the co-produced water holding ponds. At one location the down wind plume had a cross section of approximately 1 km where the concentration of methane was above 1.80 ppm. The median concentration within this section was 1.82 ppm, with a peak reading of 2.11 ppm. The ambient air methane concentration was always higher in urban environments compared to the surrounding countryside. Along one major road in Sydney we mapped an interval

  3. The energy landscapes of repeat-containing proteins: topology, cooperativity, and the folding funnels of one-dimensional architectures.

    Directory of Open Access Journals (Sweden)

    Diego U Ferreiro

    2008-05-01

    Full Text Available Repeat-proteins are made up of near repetitions of 20- to 40-amino acid stretches. These polypeptides usually fold up into non-globular, elongated architectures that are stabilized by the interactions within each repeat and those between adjacent repeats, but that lack contacts between residues distant in sequence. The inherent symmetries both in primary sequence and three-dimensional structure are reflected in a folding landscape that may be analyzed as a quasi-one-dimensional problem. We present a general description of repeat-protein energy landscapes based on a formal Ising-like treatment of the elementary interaction energetics in and between foldons, whose collective ensemble are treated as spin variables. The overall folding properties of a complete "domain" (the stability and cooperativity of the repeating array can be derived from this microscopic description. The one-dimensional nature of the model implies there are simple relations for the experimental observables: folding free-energy (DeltaG(water and the cooperativity of denaturation (m-value, which do not ordinarily apply for globular proteins. We show how the parameters for the "coarse-grained" description in terms of foldon spin variables can be extracted from more detailed folding simulations on perfectly funneled landscapes. To illustrate the ideas, we present a case-study of a family of tetratricopeptide (TPR repeat proteins and quantitatively relate the results to the experimentally observed folding transitions. Based on the dramatic effect that single point mutations exert on the experimentally observed folding behavior, we speculate that natural repeat proteins are "poised" at particular ratios of inter- and intra-element interaction energetics that allow them to readily undergo structural transitions in physiologically relevant conditions, which may be intrinsically related to their biological functions.

  4. The greenGain project - Biomass from landscape conservation and maintenance work for renewable energy production in the EU

    Science.gov (United States)

    Clalüna, Aline; Baumgarten, Wibke; García Galindo, Daniel; Lenz, Klaus; Doležal, Jan; De Filippi, Federico; Lorenzo, Joaquín; Montagnoli, Louis

    2017-04-01

    The project greenGain is looking for solutions to increase the energy production with regional and local biomass from landscape conservation and maintenance work, which is performed in the public interest. The relevant resources analysed in the greenGain model regions are, among others, biomass residues from clearing invasive vegetation in marginal agricultural lands in Spain, and residues from abandoned vineyards and olive groves in landscape protected areas in Italy. The main target groups are regional and local players who are responsible for maintenance and conservation work and for the biomass residue management in their regions. Moreover, the focus will be on service providers - including farmers and forest owners, their associations, NGOs, energy providers and consumers. Local companies, municipalities and public authorities are collaborating to identify the still underutilised non-food biomass resources and to discuss the way to integrate them into the local and regional biomass markets. Since the start of the three year project in January 2015, the partners from Italy, Spain, Czech Republic and Germany analysed, among other, the biomass feedstock potential coming from landscape maintenance work, and assessed various technological options to utilise this type of biomass. Further, political, legal and environmental aspects as well as awareness raising and public acceptance actions regarding the energetic use of biomass from public areas were assessed. greenGain also facilitates the exchange between model regions and other similar relevant players in the EU and shares examples of good practice. General guidelines will be prepared to guarantee a wide dissemination to other regions in the EU. Thus, the project shows how to build-up reliable knowledge on local availability of this feedstock and provides know-how concerning planning, harvesting, pre-treatment, storage and sustainable conversion pathways to a wide range of stakeholders in the EU.

  5. Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape?

    Science.gov (United States)

    Farrow, M R; Chow, Y; Woodley, S M

    2014-10-21

    The atomic structure of inorganic nanoclusters obtained via a search for low lying minima on energy landscapes, or hypersurfaces, is reported for inorganic binary compounds: zinc oxide (ZnO)n, magnesium oxide (MgO)n, cadmium selenide (CdSe)n, and potassium fluoride (KF)n, where n = 1-12 formula units. The computational cost of each search is dominated by the effort to evaluate each sample point on the energy landscape and the number of required sample points. The effect of changing the balance between these two factors on the success of the search is investigated. The choice of sample points will also affect the number of required data points and therefore the efficiency of the search. Monte Carlo based global optimisation routines (evolutionary and stochastic quenching algorithms) within a new software package, viz. Knowledge Led Master Code (KLMC), are employed to search both directly and after pre-screening on the DFT energy landscape. Pre-screening includes structural relaxation to minimise a cheaper energy function - based on interatomic potentials - and is found to improve significantly the search efficiency, and typically reduces the number of DFT calculations required to locate the local minima by more than an order of magnitude. Although the choice of functional form is important, the approach is robust to small changes to the interatomic potential parameters. The computational cost of initial DFT calculations of each structure is reduced by employing Gaussian smearing to the electronic energy levels. Larger (KF)n nanoclusters are predicted to form cuboid cuts from the rock-salt phase, but also share many structural motifs with (MgO)n for smaller clusters. The transition from 2D rings to 3D (bubble, or fullerene-like) structures occur at a larger cluster size for (ZnO)n and (CdSe)n. Differences between the HOMO and LUMO energies, for all the compounds apart from KF, are in the visible region of the optical spectrum (2-3 eV); KF lies deep in the UV region

  6. Untangling human development and natural gradients: implications of underlying correlation structure for linking landscapes and riverine ecosystems

    Science.gov (United States)

    Yasmin Lucero; E. Ashley Steel; Kelly M. Burnett; Kelly. Christiansen

    2011-01-01

    Increasingly, ecologists seek to identify and quantify relationships between landscape gradients and aquatic ecosystems. Considerable statistical challenges emerge in this effort, some of which are attributable to multicollinearity between human development and landscape gradients. In this paper, we measure the covariation between human development—such as agriculture...

  7. Dynamics of a temperate deciduous forest under landscape-scale management: Implications for adaptability to climate change

    Science.gov (United States)

    Matthew G. Olson; Benjamin O. Knapp; John M. Kabrick

    2017-01-01

    Landscape forest management is an approach to meeting diverse objectives that collectively span multiple spatial scales. It is critical that we understand the long-term effects of landscape management on the structure and composition of forest tree communities to ensure that these practices are sustainable. Furthermore, it is increasingly important to also consider...

  8. Tailoring the Energy Landscape in Quasi-2D Halide Perovskites Enables Efficient Green-Light Emission

    KAUST Repository

    Quan, Li Na; Zhao, Yongbiao; Garcí a de Arquer, F. Pelayo; Sabatini, Randy; Walters, Grant; Voznyy, Oleksandr; Comin, Riccardo; Li, Yiying; Fan, James Z.; Tan, Hairen; Pan, Jun; Yuan, Mingjian; Bakr, Osman; Lu, Zhenghong; Kim, Dong Ha; Sargent, Edward H.

    2017-01-01

    Organo-metal halide perovskites are a promising platform for optoelectronic applications in view of their excellent charge-transport and bandgap tunability. However, their low photoluminescence quantum efficiencies, especially in low-excitation regimes, limit their efficiency for light emission. Consequently, perovskite light-emitting devices are operated under high injection, a regime under which the materials have so far been unstable. Here we show that, by concentrating photoexcited states into a small subpopulation of radiative domains, one can achieve a high quantum yield, even at low excitation intensities. We tailor the composition of quasi-2D perovskites to direct the energy transfer into the lowest-bandgap minority phase and to do so faster than it is lost to nonradiative centers. The new material exhibits 60% photoluminescence quantum yield at excitation intensities as low as 1.8 mW/cm2, yielding a ratio of quantum yield to excitation intensity of 0.3 cm2/mW; this represents a decrease of 2 orders of magnitude in the excitation power required to reach high efficiency compared with the best prior reports. Using this strategy, we report light-emitting diodes with external quantum efficiencies of 7.4% and a high luminescence of 8400 cd/m2.

  9. Tailoring the Energy Landscape in Quasi-2D Halide Perovskites Enables Efficient Green-Light Emission

    KAUST Repository

    Quan, Li Na

    2017-05-10

    Organo-metal halide perovskites are a promising platform for optoelectronic applications in view of their excellent charge-transport and bandgap tunability. However, their low photoluminescence quantum efficiencies, especially in low-excitation regimes, limit their efficiency for light emission. Consequently, perovskite light-emitting devices are operated under high injection, a regime under which the materials have so far been unstable. Here we show that, by concentrating photoexcited states into a small subpopulation of radiative domains, one can achieve a high quantum yield, even at low excitation intensities. We tailor the composition of quasi-2D perovskites to direct the energy transfer into the lowest-bandgap minority phase and to do so faster than it is lost to nonradiative centers. The new material exhibits 60% photoluminescence quantum yield at excitation intensities as low as 1.8 mW/cm2, yielding a ratio of quantum yield to excitation intensity of 0.3 cm2/mW; this represents a decrease of 2 orders of magnitude in the excitation power required to reach high efficiency compared with the best prior reports. Using this strategy, we report light-emitting diodes with external quantum efficiencies of 7.4% and a high luminescence of 8400 cd/m2.

  10. Landscape encodings enhance optimization.

    Directory of Open Access Journals (Sweden)

    Konstantin Klemm

    Full Text Available Hard combinatorial optimization problems deal with the search for the minimum cost solutions (ground states of discrete systems under strong constraints. A transformation of state variables may enhance computational tractability. It has been argued that these state encodings are to be chosen invertible to retain the original size of the state space. Here we show how redundant non-invertible encodings enhance optimization by enriching the density of low-energy states. In addition, smooth landscapes may be established on encoded state spaces to guide local search dynamics towards the ground state.

  11. Landscape Encodings Enhance Optimization

    Science.gov (United States)

    Klemm, Konstantin; Mehta, Anita; Stadler, Peter F.

    2012-01-01

    Hard combinatorial optimization problems deal with the search for the minimum cost solutions (ground states) of discrete systems under strong constraints. A transformation of state variables may enhance computational tractability. It has been argued that these state encodings are to be chosen invertible to retain the original size of the state space. Here we show how redundant non-invertible encodings enhance optimization by enriching the density of low-energy states. In addition, smooth landscapes may be established on encoded state spaces to guide local search dynamics towards the ground state. PMID:22496860

  12. Model analyses for sustainable energy supply under CO2 restrictions

    International Nuclear Information System (INIS)

    Matsuhashi, Ryuji; Ishitani, Hisashi.

    1995-01-01

    This paper aims at clarifying key points for realizing sustainable energy supply under restrictions on CO 2 emissions. For this purpose, possibility of solar breeding system is investigated as a key technology for the sustainable energy supply. The authors describe their mathematical model simulating global energy supply and demand in ultra-long term. Depletion of non-renewable resources and constraints on CO 2 emissions are taken into consideration in the model. Computed results have shown that present energy system based on non-renewable resources shifts to a system based on renewable resources in the ultra-long term with appropriate incentives

  13. The Swiss Energy Sector. Innovation landscape and chances for the Netherlands; De Zwitserse energiesector. Innovatielandschap en kansen voor Nederland

    Energy Technology Data Exchange (ETDEWEB)

    Van Ewijk, S. [Innovatie Attache Netwerk, Ambassad Berlijn, Berlin (Netherlands)

    2012-08-15

    An overview is given of innovation in the Swiss energy sector and the following research question will be answered: what are the characteristics of the Swiss innovation landscape in the energy sector and what opportunities are there for the Dutch energy sector? The emphasis is on themes that occur in the Dutch top sector policy, such as natural gas and energy conservation. The aim is to encourage cooperation between the Netherlands and Switzerland in the field of energy and provide inspiration for investment, policy solutions and markets in the field of energy. Each chapter contains references to Swiss authorities for more information and further steps [Dutch] Een overzicht wordt gegeven van innovatie in de Zwitserse energiesector en probeert de volgende onderzoeksvraag te beantwoorden: wat zijn de kenmerken van het Zwitserse innovatielandschap in de energiesector en welke kansen zijn er voor de Nederlandse energiesector? De nadruk ligt daarbij op thema's die ook in het Nederlandse topsectorbeleid voorkomen, zoals aardgas en energiebesparing. Het doel is om de samenwerking tussen Nederland en Zwitserland op energiegebied te stimuleren en informatie te bieden als inspiratie voor investeringen, beleidsoplossingen en afzetmarkten op energiegebied. Ieder hoofdstuk bevat verwijzingen naar Zwitserse instanties voor meer informatie en verdere stappen.

  14. The importance of on-site evaluation for placing renewable energy in the landscape: A case study of the Búrfell wind farm (Iceland

    Directory of Open Access Journals (Sweden)

    Frantál Bohumil

    2017-12-01

    Full Text Available Using a case study of the Búrfell wind farm project, a large wind farm proposed in the Central Highlands of Iceland, the authors attempt to provide new insights into the factors shaping subjective landscape perceptions and attitudes to renewable energy developments, and into alternative methods that may be used for their assessment. The research was based on an on-site visit and actual experience of the place, investigated using a combination of mental mapping, the technique of the semantic differential and a questionnaire survey. The results show that participants visiting a landscape and using all sensory organs in combination with mental mapping, can reveal more important information than using only ‘laboratory’ methods with static photographs. The results suggest that the perception of landscape is highly subjective. Those perceiving the landscape as more open, homogenous, industrial, unfamiliar and resilient also consider it more compatible with wind turbines. The perception of the landscape’s compatibility with wind turbines proved to be a dominant factor shaping attitudes towards the project. The acceptance of wind turbines is not, however, inconsistent with the perception of landscape as beautiful, wild and unique. Participants from more densely populated countries and countries with a developed wind energy industry were more tolerant of wind turbines in the Icelandic landscape.

  15. Hierarchical structure of the energy landscape of proteins revisited by time series analysis. II. Investigation of explicit solvent effects

    Science.gov (United States)

    Alakent, Burak; Camurdan, Mehmet C.; Doruker, Pemra

    2005-10-01

    Time series analysis tools are employed on the principal modes obtained from the Cα trajectories from two independent molecular-dynamics simulations of α-amylase inhibitor (tendamistat). Fluctuations inside an energy minimum (intraminimum motions), transitions between minima (interminimum motions), and relaxations in different hierarchical energy levels are investigated and compared with those encountered in vacuum by using different sampling window sizes and intervals. The low-frequency low-indexed mode relationship, established in vacuum, is also encountered in water, which shows the reliability of the important dynamics information offered by principal components analysis in water. It has been shown that examining a short data collection period (100ps) may result in a high population of overdamped modes, while some of the low-frequency oscillations (memory: future conformations are less dependent on previous conformations due to the lowering of energy barriers in hierarchical levels of the energy landscape. In short-time dynamics (sight contradicts. However, this comes about because water enhances the transitions between minima and forces the protein to reduce its already inherent inability to maintain oscillations observed in vacuum. Some of the frequencies lower than 10cm-1 are found to be overdamped, while those higher than 20cm-1 are slightly increased. As for the long-time dynamics in water, it is found that random-walk motion is maintained for approximately 200ps (about five times of that in vacuum) in the low-indexed modes, showing the lowering of energy barriers between the higher-level minima.

  16. Landscape Studio

    DEFF Research Database (Denmark)

    Hansen, Peter Lundsgaard

    2017-01-01

    Landscape studio documents is the biography of the method 'design conversation' and contributes to the way we work with landscapes. The blog communicates renewed landscape didactics and leads to the innovation of design practices.......Landscape studio documents is the biography of the method 'design conversation' and contributes to the way we work with landscapes. The blog communicates renewed landscape didactics and leads to the innovation of design practices....

  17. Optimization of Wireless Transceivers under Processing Energy Constraints

    Science.gov (United States)

    Wang, Gaojian; Ascheid, Gerd; Wang, Yanlu; Hanay, Oner; Negra, Renato; Herrmann, Matthias; Wehn, Norbert

    2017-09-01

    Focus of the article is on achieving maximum data rates under a processing energy constraint. For a given amount of processing energy per information bit, the overall power consumption increases with the data rate. When targeting data rates beyond 100 Gb/s, the system's overall power consumption soon exceeds the power which can be dissipated without forced cooling. To achieve a maximum data rate under this power constraint, the processing energy per information bit must be minimized. Therefore, in this article, suitable processing efficient transmission schemes together with energy efficient architectures and their implementations are investigated in a true cross-layer approach. Target use cases are short range wireless transmitters working at carrier frequencies around 60 GHz and bandwidths between 1 GHz and 10 GHz.

  18. Expansionary economic effects of energy conversion under stagnation

    International Nuclear Information System (INIS)

    Ono, Yoshiyasu

    2013-01-01

    After the Fukushima disaster, energy conversion such as nuclear power phaseout and deployment of renewable energy or survival of nuclear power had been actively argued pro and con. Both sides admitted extra costs were needed but their economic effects would be contrary dependent on business state. Under better economy, extra costs would be actual burden of total economy. Under stagnation as was long in Japan at present, extra costs brought about expansion of employment and economy with simulated consumption increase. Industry conversion would occur such industry intensively using power would depreciate and energy conserved industry would grow. Difference of power use intensity between industries made difficult in energy conversion because present Japanese industry constitution was mostly formed based on cheap power cost for industry use. Even taking account of international competition, the same would be true by adjusting finance balance sheet and currency exchange rate. (T. Tanaka)

  19. The Energy Footprint on the Landscape and What this Means for Plants, Animals, and Ecosystems

    OpenAIRE

    Belnap, Jayne

    2012-01-01

    Dryland regions of the western U.S. contain abundant energy resources, whether they are traditional oil/gas or alternative sources such as solar or wind. With energy exploration and development comes surface disturbance and other impacts. The impact of energy exploration, such as running seismic lines, is associated with soil surface disruption that can be quite severe at a local level. Energy development brings a host of other concerns that need to be considered and likely mitigated. All ene...

  20. Addressing the trade-climate change-energy nexus: China's explorations in a global governance landscape

    OpenAIRE

    Monkelbaan, Joachim

    2014-01-01

    We have arrived at a critical juncture when it comes to understanding the numerous ways in which trade interacts with climate change and energy (trade-climate-energy nexus). Trade remains crucial for the sustainable development of the world's greatest trading nation: China. After clarifying the linkages within the trade, climate change and energy nexus, this article delves into China's specific needs and interests related to trade, climate change and energy. Then it explores the ways in which...

  1. Nonequilibrium landscape theory of neural networks.

    Science.gov (United States)

    Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin

    2013-11-05

    The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape-flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments.

  2. Simulation of vacancy migration energy in Cu under high strain

    International Nuclear Information System (INIS)

    Sato, K.; Yoshiie, T.; Satoh, Y.; Xu, Q.; Kiritani, M.

    2003-01-01

    The activation energy for the migration of vacancies in Cu under high strain was calculated by computer simulation using static methods. The migration energy of vacancies was 0.98 eV in the absence of deformation. It varied with the migration direction and stress direction because the distance between a vacancy and its neighboring atoms changes by deformation. For example, the migration energy for the shortest migration distance was reduced to 9.6 and 39.4% of its initial value by 10% compression and 20% elongation, respectively, while that for the longest migration distance was raised to 171.7 by 20% elongation. If many vacancies are created during high-speed deformation, the lowering of migration energy enables vacancies to escape to sinks such as surfaces, even during the shorter deformation period. The critical strain rate above which the strain rate dependence of vacancy accumulation ceases to exist increases with the lowering of vacancy migration energy

  3. Enabling optimal energy options under the Clean Development Mechanism

    International Nuclear Information System (INIS)

    Gilau, Asmerom M.; Van Buskirk, Robert; Small, Mitchell J.

    2007-01-01

    This paper addresses the cost effectiveness of renewable energy technologies in achieving low abatement costs and promoting sustainable developments under the Clean Development Mechanism (CDM). According to the results of our optimal energy option's analysis, at project scale, compared with a diesel-only energy option, photovoltaic (PV)-diesel (PVDB), wind-diesel (WDB) and PV-wind-diesel (PVWDB) hybrids are very cost-effective energy options. Moreover, energy options with high levels of renewable energy, including 100% renewables, have the lowest net present cost and they are already cost effective without CDM. On the other hand, while the removal of about 87% carbon dioxide emissions could be achieved at negative cost, initial investment could increase by a factor of 40, which is one of the primary barriers hindering wider renewable energy applications in developing countries, among others. Thus, in order to increase developing countries' participation in the carbon market, CDM policy should shift from a purely market-oriented approach to investigating how to facilitate renewable energy projects through barrier removal. Thus, we recommend that further research should focus on how to efficiently remove renewable energy implementation barriers as a means to improve developing countries' participation in meaningful emission reduction while at the same time meeting the needs of sustainable economic development

  4. Free energy landscape of dissociative adsorption of methane on ideal and defected graphene from ab initio simulations

    Science.gov (United States)

    Wlazło, M.; Majewski, J. A.

    2018-03-01

    We study the dissociative adsorption of methane at the surface of graphene. Free energy profiles, which include activation energies for different steps of the reaction, are computed from constrained ab initio molecular dynamics. At 300 K, the reaction barriers are much lower than experimental bond dissociation energies of gaseous methane, strongly indicating that the graphene surface acts as a catalyst of methane decomposition. On the other hand, the barriers are still much higher than on the nickel surface. Methane dissociation therefore occurs at a higher rate on nickel than on graphene. This reaction is a prerequisite for graphene growth from a precursor gas. Thus, the growth of the first monolayer should be a fast and efficient process while subsequent layers grow at a diminished rate and in a more controllable manner. Defects may also influence reaction energetics. This is evident from our results, in which simple defects (Stone-Wales defect and nitrogen substitution) lead to different free energy landscapes at both dissociation and adsorption steps of the process.

  5. Fish energy budget under ocean warming and flame retardant exposure.

    Science.gov (United States)

    Anacleto, Patrícia; Figueiredo, Cátia; Baptista, Miguel; Maulvault, Ana Luísa; Camacho, Carolina; Pousão-Ferreira, Pedro; Valente, Luísa M P; Marques, António; Rosa, Rui

    2018-07-01

    Climate change and chemical contamination are global environmental threats of growing concern for the scientific community and regulatory authorities. Yet, the impacts and interactions of both stressors (particularly ocean warming and emerging chemical contaminants) on physiological responses of marine organisms remain unclear and still require further understanding. Within this context, the main goal of this study was to assess, for the first time, the effects of warming (+ 5 °C) and accumulation of a polybrominated diphenyl ether congener (BDE-209, brominated flame retardant) through dietary exposure on energy budget of the juvenile white seabream (Diplodus sargus). Specifically, growth (G), routine metabolism (R), excretion (faecal, F and nitrogenous losses, U) and food consumption (C) were calculated to obtain the energy budget. The results demonstrated that the energy proportion spent for G dominated the mode of the energy allocation of juvenile white seabream (56.0-67.8%), especially under the combined effect of warming plus BDE-209 exposure. Under all treatments, the energy channelled for R varied around 26% and a much smaller percentage was channelled for excretion (F: 4.3-16.0% and U: 2.3-3.3%). An opposite trend to G was observed to F, where the highest percentage (16.0 ± 0.9%) was found under control temperature and BDE-209 exposure via diet. In general, the parameters were significantly affected by increased temperature and flame retardant exposure, where higher levels occurred for: i) wet weight, relative growth rate, protein and ash contents under warming conditions, ii) only for O:N ratio under BDE-209 exposure via diet, and iii) for feed efficiency, ammonia excretion rate, routine metabolic rate and assimilation efficiency under the combination of both stressors. On the other hand, decreased viscerosomatic index was observed under warming and lower fat content was observed under the combined effect of both stressors. Overall, under future

  6. Hawking–Hayward quasi-local energy under conformal transformations

    International Nuclear Information System (INIS)

    Prain, Angus; Faraoni, Valerio; Lapierre-Léonard, Marianne; Vitagliano, Vincenzo

    2016-01-01

    We derive a formula describing the transformation of the Hawking–Hayward quasi-local energy under a conformal rescaling of the spacetime metric. A known formula for the transformation of the Misner–Sharp–Hernandez mass is recovered as a special case. (paper)

  7. Energy absorption capabilities of composite sandwich panels under blast loads

    Science.gov (United States)

    Sankar Ray, Tirtha

    As blast threats on military and civilian structures continue to be a significant concern, there remains a need for improved design strategies to increase blast resistance capabilities. The approach to blast resistance proposed here is focused on dissipating the high levels of pressure induced during a blast through maximizing the potential for energy absorption of composite sandwich panels, which are a competitive structural member type due to the inherent energy absorption capabilities of fiber reinforced polymer (FRP) composites. Furthermore, the middle core in the sandwich panels can be designed as a sacrificial layer allowing for a significant amount of deformation or progressive failure to maximize the potential for energy absorption. The research here is aimed at the optimization of composite sandwich panels for blast mitigation via energy absorption mechanisms. The energy absorption mechanisms considered include absorbed strain energy due to inelastic deformation as well as energy dissipation through progressive failure of the core of the sandwich panels. The methods employed in the research consist of a combination of experimentally-validated finite element analysis (FEA) and the derivation and use of a simplified analytical model. The key components of the scope of work then includes: establishment of quantified energy absorption criteria, validation of the selected FE modeling techniques, development of the simplified analytical model, investigation of influential core architectures and geometric parameters, and investigation of influential material properties. For the parameters that are identified as being most-influential, recommended values for these parameters are suggested in conceptual terms that are conducive to designing composite sandwich panels for various blast threats. Based on reviewing the energy response characteristic of the panel under blast loading, a non-dimensional parameter AET/ ET (absorbed energy, AET, normalized by total energy

  8. Quantifying Trade-Offs Among Ecosystem Services, Biodiversity, and Agricultural Returns in an Agriculturally Dominated Landscape Under Future Land‑Management Scenarios

    Directory of Open Access Journals (Sweden)

    Emma C. Underwood

    2017-07-01

    Full Text Available https://doi.org/10.15447/sfews.2017v15iss2art4Change in land use in agriculturally dominated areas is often assumed to provide positive benefits for land-owners and financial agricultural returns at the expense of biodiversity and other ecosystem services. For an agriculturally dominated area in the Central Valley of California we quantify the trade-offs among ecosystem services, biodiversity, and the financial returns from agricultural lands. We do this by evaluating three different landscape management scenarios projected to 2050 compared to the current baseline: habitat restoration, urbanization, and enhanced agriculture. The restoration scenario benefited carbon storage services and increased landscape suitability for birds, and also decreased ecosystem disservices (nitrous oxide emissions, nitrogen leaching, although there was a trade-off in slightly lower financial agricultural returns. Under the urbanization scenario, carbon storage, suitability for birds, and agricultural returns were negatively affected. A scenario which enhanced agriculture, tailored to the needs of a key species of conservation concern (Swainson’s Hawk, Buteo swainsoni, presented the most potential for trade-offs. This scenario benefitted carbon storage and increased landscape suitability for the Swainson's Hawk as well as 15 other focal bird species. However, this scenario increased ecosystem disservices. These spatially explicit results, generated at a scale relevant to land management decision-makers in the Central Valley, provide valuable insight into managing for multiple benefits in the landscape and an approach for assessing future land-management decisions.

  9. Prospects for nuclear energy in Kenya under vision 2030

    International Nuclear Information System (INIS)

    Shadrack, A. K.

    2012-01-01

    Overcoming energy poverty is one of Kenya's greatest challenges. Majority of Kenyans currently have no access to modern energy services and technologies. The challenge is thus to find appropriate and reliable solutions for providing energy sources for social and economic development. This study intends to focus on the development of nuclear power technology under the Kenya 2030 vision. This research project intends to investigate the advancement stages that Kenya has undertaken towards the implementation of nuclear power plants. A background review of nuclear energy in Kenya, and nuclear environments, have been reviewed and projected through the 2030 vision. The study will provide a useful starting point for policy makers interested in the state of the ecosystem

  10. Free energy landscape of siRNA-polycation complexation: Elucidating the effect of molecular geometry, polymer flexibility, and charge neutralization.

    Directory of Open Access Journals (Sweden)

    Gianvito Grasso

    Full Text Available The success of medical threatments with DNA and silencing interference RNA is strongly related to the design of efficient delivery technologies. Cationic polymers represent an attractive strategy to serve as nucleic-acid carriers with the envisioned advantages of efficient complexation, low cost, ease of production, well-defined size, and low polydispersity index. However, the balance between efficacy and toxicity (safety of these polymers is a challenge and in need of improvement. With the aim of designing more effective polycationic-based gene carriers, many parameters such as carrier morphology, size, molecular weight, surface chemistry, and flexibility/rigidity ratio need to be taken into consideration. In the present work, the binding mechanism of three cationic polymers (polyarginine, polylysine and polyethyleneimine to a model siRNA target is computationally investigated at the atomistic level. In order to better understand the polycationic carrier-siRNA interactions, replica exchange molecular dynamic simulations were carried out to provide an exhaustive exploration of all the possible binding sites, taking fully into account the siRNA flexibility together with the presence of explicit solvent and ions. Moreover, well-tempered metadynamics simulations were employed to elucidate how molecular geometry, polycation flexibility, and charge neutralization affect the siRNA-polycations free energy landscape in term of low-energy binding modes and unbinding free energy barriers. Significant differences among polymer binding modes have been detected, revealing the advantageous binding properties of polyarginine and polylysine compared to polyethyleneimine.

  11. Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Y. Isaac [Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Zhang, Jun; Che, Xing; Yang, Lijiang; Gao, Yi Qin, E-mail: gaoyq@pku.edu.cn [Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Biodynamic Optical Imaging Center, Peking University, Beijing 100871 (China)

    2016-03-07

    In order to efficiently overcome high free energy barriers embedded in a complex energy landscape and calculate overall thermodynamics properties using molecular dynamics simulations, we developed and implemented a sampling strategy by combining the metadynamics with (selective) integrated tempering sampling (ITS/SITS) method. The dominant local minima on the potential energy surface (PES) are partially exalted by accumulating history-dependent potentials as in metadynamics, and the sampling over the entire PES is further enhanced by ITS/SITS. With this hybrid method, the simulated system can be rapidly driven across the dominant barrier along selected collective coordinates. Then, ITS/SITS ensures a fast convergence of the sampling over the entire PES and an efficient calculation of the overall thermodynamic properties of the simulation system. To test the accuracy and efficiency of this method, we first benchmarked this method in the calculation of ϕ − ψ distribution of alanine dipeptide in explicit solvent. We further applied it to examine the design of template molecules for aromatic meta-C—H activation in solutions and investigate solution conformations of the nonapeptide Bradykinin involving slow cis-trans isomerizations of three proline residues.

  12. Cellular network entropy as the energy potential in Waddington's differentiation landscape

    Science.gov (United States)

    Banerji, Christopher R. S.; Miranda-Saavedra, Diego; Severini, Simone; Widschwendter, Martin; Enver, Tariq; Zhou, Joseph X.; Teschendorff, Andrew E.

    2013-01-01

    Differentiation is a key cellular process in normal tissue development that is significantly altered in cancer. Although molecular signatures characterising pluripotency and multipotency exist, there is, as yet, no single quantitative mark of a cellular sample's position in the global differentiation hierarchy. Here we adopt a systems view and consider the sample's network entropy, a measure of signaling pathway promiscuity, computable from a sample's genome-wide expression profile. We demonstrate that network entropy provides a quantitative, in-silico, readout of the average undifferentiated state of the profiled cells, recapitulating the known hierarchy of pluripotent, multipotent and differentiated cell types. Network entropy further exhibits dynamic changes in time course differentiation data, and in line with a sample's differentiation stage. In disease, network entropy predicts a higher level of cellular plasticity in cancer stem cell populations compared to ordinary cancer cells. Importantly, network entropy also allows identification of key differentiation pathways. Our results are consistent with the view that pluripotency is a statistical property defined at the cellular population level, correlating with intra-sample heterogeneity, and driven by the degree of signaling promiscuity in cells. In summary, network entropy provides a quantitative measure of a cell's undifferentiated state, defining its elevation in Waddington's landscape. PMID:24154593

  13. Integration of ecological and thermodynamic concepts in the design of sustainable energy landscapes

    NARCIS (Netherlands)

    Stremke, S.; Koh, J.

    2011-01-01

    Resource depletion and climate change motivate a transition to sustainable energy systems that make effective use of renewable sources. Whereas nature presents strategies to sustain on the basis of renewables, the Laws of Thermodynamics can help to increase efficiency in energy use. In previous

  14. Buildings Energy Efficiency: Interventions Analysis under a Smart Cities Approach

    Directory of Open Access Journals (Sweden)

    Gabriele Battista

    2014-07-01

    Full Text Available Most of the world’s population lives in urban areas and in inefficient buildings under the energy point of view. Starting from these assumptions, there is the need to identify methodologies and innovations able to improve social development and the quality of life of people living in cities. Smart cities can be a viable solution. The methodology traditionally adopted to evaluate building energy efficiency starts from the structure’s energy demands analysis and the demands reduction evaluation. Consequently, the energy savings is assessed through a cascade of interventions. Regarding the building envelope, the first intervention is usually related to the reduction of the thermal transmittance value, but there is also the need to emphasize the building energy savings through other parameters, such as the solar gain factor and dye solar absorbance coefficients. In this contribution, a standard building has been modeled by means of the well-known dynamic software, TRNSYS. This study shows a parametrical analysis through which it is possible to evaluate the effect of each single intervention and, consequently, its influence on the building energy demand. Through this analysis, an intervention chart has been carried out, aiming to assess the intervention efficiency starting from the percentage variation of energy demands.

  15. Energy Expenditure of Trotting Gait Under Different Gait Parameters

    Science.gov (United States)

    Chen, Xian-Bao; Gao, Feng

    2017-07-01

    Robots driven by batteries are clean, quiet, and can work indoors or in space. However, the battery endurance is a great problem. A new gait parameter design energy saving strategy to extend the working hours of the quadruped robot is proposed. A dynamic model of the robot is established to estimate and analyze the energy expenditures during trotting. Given a trotting speed, optimal stride frequency and stride length can minimize the energy expenditure. However, the relationship between the speed and the optimal gait parameters is nonlinear, which is difficult for practical application. Therefore, a simplified gait parameter design method for energy saving is proposed. A critical trotting speed of the quadruped robot is found and can be used to decide the gait parameters. When the robot is travelling lower than this speed, it is better to keep a constant stride length and change the cycle period. When the robot is travelling higher than this speed, it is better to keep a constant cycle period and change the stride length. Simulations and experiments on the quadruped robot show that by using the proposed gait parameter design approach, the energy expenditure can be reduced by about 54% compared with the 100 mm stride length under 500 mm/s speed. In general, an energy expenditure model based on the gait parameter of the quadruped robot is built and the trotting gait parameters design approach for energy saving is proposed.

  16. Identifying Greater Sage-Grouse source and sink habitats for conservation planning in an energy development landscape.

    Science.gov (United States)

    Kirol, Christopher P; Beck, Jeffrey L; Huzurbazar, Snehalata V; Holloran, Matthew J; Miller, Scott N

    2015-06-01

    Conserving a declining species that is facing many threats, including overlap of its habitats with energy extraction activities, depends upon identifying and prioritizing the value of the habitats that remain. In addition, habitat quality is often compromised when source habitats are lost or fragmented due to anthropogenic development. Our objective was to build an ecological model to classify and map habitat quality in terms of source or sink dynamics for Greater Sage-Grouse (Centrocercus urophasianus) in the Atlantic Rim Project Area (ARPA), a developing coalbed natural gas field in south-central Wyoming, USA. We used occurrence and survival modeling to evaluate relationships between environmental and anthropogenic variables at multiple spatial scales and for all female summer life stages, including nesting, brood-rearing, and non-brooding females. For each life stage, we created resource selection functions (RSFs). We weighted the RSFs and combined them to form a female summer occurrence map. We modeled survival also as a function of spatial variables for nest, brood, and adult female summer survival. Our survival-models were mapped as survival probability functions individually and then combined with fixed vital rates in a fitness metric model that, when mapped, predicted habitat productivity (productivity map). Our results demonstrate a suite of environmental and anthropogenic variables at multiple scales that were predictive of occurrence and survival. We created a source-sink map by overlaying our female summer occurrence map and productivity map to predict habitats contributing to population surpluses (source habitats) or deficits (sink habitat) and low-occurrence habitats on the landscape. The source-sink map predicted that of the Sage-Grouse habitat within the ARPA, 30% was primary source, 29% was secondary source, 4% was primary sink, 6% was secondary sink, and 31% was low occurrence. Our results provide evidence that energy development and avoidance of

  17. Take-or-Pay under Japanese energy policy

    International Nuclear Information System (INIS)

    Namikawa, Ryoichi

    2003-01-01

    Japan has tried to increase the import of liquefied natural gas (LNG) because of the nation's fragile energy supply structure. In Japan, almost all LNG is imported under long-term contracts with a Take-or-Pay clause, although buyers assume considerable risk under such a clause. This paper tries to determine why the Take-or-Pay clause has been retained in LNG import contracts in Japan, focusing on the relation between Take-or-Pay and energy security policy. It is found that the government has not pursued a consistent, consecutive policy on Take-or-Pay under the changing energy situation after oil crises. On the one hand, the government has accepted Take-or-Pay because it secures a stable supply of LNG, but on the other hand, it has tried to scrap Take-or-Pay in order to reduce buyers' risk. Furthermore, it was not until the middle/late 1990s that the government implemented deregulation. It is concluded that the government's energy security policy has played an important role in keeping Take-or-Pay in Japan

  18. Changing Energy Requirements in the Mediterranean Under Changing Climatic Conditions

    Directory of Open Access Journals (Sweden)

    George Demosthenous

    2009-09-01

    Full Text Available This study investigates the impacts of climate change on energy requirements in the Mediterranean. Energy requirements, especially for space heating and cooling, are closely linked to several weather variables, mainly air temperature. The analysis is based on daily temperature outputs from several regional climate models run at a resolution of 25 km × 25 km in the framework of EU project ENSEMBLES using the A1B emissions scenario. The impacts of changes in temperature on energy requirements are investigated using the concept of degree days, defined as the difference of mean air temperature from a base temperature. Base temperature should be chosen to coincide with the minimum energy consumption. In this way, changes in heating and cooling requirements between the reference and the future period are calculated and areas about to undergo large changes identified. These changes are calculated between a 30-year reference period 1961–1990 and a near future period 2021–2050 taking the ensemble mean of all regional climate models. The near-term future has been chosen instead of the frequently used end-of-the-century period to assist policy makers in their planning. In general, a decrease in energy requirements is projected under future milder winters and an increase under hotter summers.

  19. Energy conservation, energy efficiency and energy savings regulatory hypotheses - taxation, subsidies and underlying economics

    Energy Technology Data Exchange (ETDEWEB)

    Trumpy, T. [International Legal Counsel, Brussels (Belgium)

    1995-12-01

    More efficient use of energy resources can be promoted by various regulatory means, i.e., taxation, subsidies, and pricing. Various incentives can be provided by income and revenue tax breaks-deductible energy audit fees, energy saving investment credits, breaks for energy saving entrepreneurs, and energy savings accounts run through utility accounts. Value added and excise taxes can also be adjusted to reward energy saving investments and energy saving entrepreneurial activity. Incentives can be provided in the form of cash refunds, including trade-in-and-scrap programs and reimbursements or subsidies on audit costs and liability insurance. Pricing incentives include lower rates for less energy use, prepayment of deposit related to peak load use, electronically dispatched multiple tariffs, savings credits based on prior peak use, and subsidized {open_quotes}leasing{close_quotes} of more efficient appliances and lights. Credits, with an emphasis on pooling small loans, and 5-year energy savings contracts are also discussed.

  20. Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods

    NARCIS (Netherlands)

    Swart, M.; Sola, M.; Bickelhaupt, F.M.

    2007-01-01

    We have carried out a detailed evaluation of the performance of all classes of density functional theory (DFT) for describing the potential energy surface (PES) of a wide range of nucleophilic substitution (S

  1. Competitive landscape of the EU’s insulation materials industry for energy-efficient buildings

    OpenAIRE

    PAVEL CLAUDIU; BLAGOEVA DARINA

    2017-01-01

    Insulation materials could contribute significantly to improving the overall energy efficiency and sustainability of the buildings, especially by reducing the energy losses through the building envelope (walls, roofs, floors, etc.). The global demand for thermal insulation materials in building applications is projected to increase at a CAGR of 4.5 % between 2016 and 2027. In the EU the demand for thermal insulation materials is estimated at 3.48 % (2015-2027). Wool minerals (glass and stone ...

  2. Ratchet Effects and Domain Wall Energy Landscapes in Amorphous Magnetic Films with 2D Arrays of Asymmetric Holes

    Science.gov (United States)

    Martin, J. I.; Alija, A.; Sobrado, I.; Perez-Junquera, A.; Rodriguez-Rodriguez, G.; Velez, M.; Alameda, J. M.; Marconi, V. I.; Kolton, A. B.; Parrondo, J. M. R.

    2009-03-01

    The driven motion of domain walls in extended magnetic films patterned with 2D arrays of asymmetric holes has been found to be subject to two different crossed ratchet effects [1] which results in an inversion of the sign of domain wall motion rectification as a function of the applied magnetic field. This effect can be understood in terms of the competition between drive, elasticity and asymmetric pinning as revealed by a simple 4̂-model. In order to optimize the asymmetric hole design, the relevant energy landscapes for domain wall motion across the array of asymmetric holes have been calculated by micromagnetic simulations as a function of array geometrical characteristics. The effects of a transverse magnetic field on these two crossed ratchet effects will also be discussed in terms of the decrease in domain wall energy per unit area and of the modifications in the magnetostatic barriers for domain wall pinning at the asymmetric inclusions. Work supported by Spanish MICINN.[1] A. Perez-Junquera et al, Phys. Rev. Lett. 100 (2008) 037203

  3. Chemical constraints governing the origin of metabolism: the thermodynamic landscape of carbon group transformations under mild aqueous conditions

    Science.gov (United States)

    Weber, Arthur L.

    2002-01-01

    The thermodynamics of organic chemistry under mild aqueous conditions was examined in order to begin to understand its influence on the structure and operation of metabolism and its antecedents. Free energies (deltaG) were estimated for four types of reactions of biochemical importance carbon-carbon bond cleavage and synthesis, hydrogen transfer between carbon groups, dehydration of alcohol groups, and aldo-keto isomerization. The energies were calculated for mainly aliphatic groups composed of carbon, hydrogen, and oxygen. The energy values showed (1) that generally when carbon-carbon bond cleavage involves groups from different functional group classes (i.e., carboxylic acids, carbonyl groups, alcohols, and hydrocarbons), the transfer of the shared electron-pair to the more reduced carbon group is energetically favored over transfer to the more oxidized carbon group, and (2) that the energy of carbon-carbon bond transformation is primarily determined by the functional group class of the group that changes oxidation state in the reaction (i.e., the functional group class of the group that donates the shared electron-pair during cleavage, or that accepts the incipient shared electron-pair during synthesis). In contrast, the energy of hydrogen transfer between carbon groups is determined by the functional group class of both the hydrogen-donor group and the hydrogen-acceptor group. From these and other observations we concluded that the chemistry involved in the origin of metabolism (and to a lesser degree modern metabolism) was strongly constrained by (1) the limited redox-based transformation energy of organic substrates that is readily dissipated in a few energetically favorable irreversible reactions; (2) the energy dominance of a few transformation half-reactions that determines whether carbon-carbon bond transformation (cleavage or synthesis) is energetically favorable (deltaG +3.5 kcal/mol); and (3) the dependence of carbon group transformation energy on the

  4. Sub-seasonal thaw slump mass wasting is not consistently energy limited at the landscape scale

    Directory of Open Access Journals (Sweden)

    S. Zwieback

    2018-02-01

    Full Text Available Predicting future thaw slump activity requires a sound understanding of the atmospheric drivers and geomorphic controls on mass wasting across a range of timescales. On sub-seasonal timescales, sparse measurements indicate that mass wasting at active slumps is often limited by the energy available for melting ground ice, but other factors such as rainfall or the formation of an insulating veneer may also be relevant. To study the sub-seasonal drivers, we derive topographic changes from single-pass radar interferometric data acquired by the TanDEM-X satellites. The estimated elevation changes at 12 m resolution complement the commonly observed planimetric retreat rates by providing information on volume losses. Their high vertical precision (around 30 cm, frequent observations (11 days and large coverage (5000 km2 allow us to track mass wasting as drivers such as the available energy change during the summer of 2015 in two study regions. We find that thaw slumps in the Tuktoyaktuk coastlands, Canada, are not energy limited in June, as they undergo limited mass wasting (height loss of around 0 cm day−1 despite the ample available energy, suggesting the widespread presence of early season insulating snow or debris veneer. Later in summer, height losses generally increase (around 3 cm day−1, but they do so in distinct ways. For many slumps, mass wasting tracks the available energy, a temporal pattern that is also observed at coastal yedoma cliffs on the Bykovsky Peninsula, Russia. However, the other two common temporal trajectories are asynchronous with the available energy, as they track strong precipitation events or show a sudden speed-up in late August respectively. The observed temporal patterns are poorly related to slump characteristics like the headwall height. The contrasting temporal behaviour of nearby thaw slumps highlights the importance of complex local and temporally varying controls on mass wasting.

  5. Evapotranspiration and surface energy balance across an agricultural-urban landscape gradient in Southern California, USA.

    Science.gov (United States)

    Shiflett, S. A.; Anderson, R. G.; Jenerette, D.

    2014-12-01

    Urbanization substantially affects energy, surface and air temperature, and hydrology due to extensive modifications in land surface properties such as vegetation, albedo, thermal capacity and soil moisture. The magnitude and direction of these alterations depends heavily on the type of urbanization that occurs. We investigated energy balance variation in a local network of agricultural and urban ecosystems using the eddy covariance method to better understand how vegetation fraction and degree of urbanization affects energy exchanges between the land surface and the atmosphere. We deployed eddy flux systems within a well-irrigated, agricultural citrus orchard, a moderately developed urban zone with a substantial amount of local vegetative cover, and an intensely developed urban zone with minimal vegetative cover and increased impervious surfaces relative to the other two sites. Latent energy (LE) fluxes in the agricultural area ranged from 7.9 ± 1.4 W m-2 (nighttime) to 168.7 ± 6.2 W m-2 (daytime) compared to 10.2 ± 3.5 W m-2 and 40.6 ± 4.1 W m-2, respectively, for the moderately developed urban area. Sensible energy (H) fluxes ranged from -9.1 ± 1.0 W m-2 (nighttime) to 119 ± 7.0 W m-2 (daytime) in the agricultural area compared to 9.6 ± 2.6 W m-2 and 134 ± 6.0 W m-2, respectively, for the moderately developed urban zone. Daytime LE is reduced with increasing urbanization; however, daily cycles of LE are less recognizable in urban areas compared to distinct daily cycles obtained above a mature citrus crop. In contrast, both daytime and nighttime H increases with increasing degree of urbanization. Reduction in vegetation and increases in impervious surfaces along an urbanization gradient leads to alterations in energy balance, which are associated with microclimate and water use changes.

  6. The multi-state energy landscape of the SAM-I riboswitch: A single-molecule Förster resonance energy transfer spectroscopy study

    Science.gov (United States)

    Manz, Christoph; Kobitski, Andrei Yu.; Samanta, Ayan; Jäschke, Andres; Nienhaus, G. Ulrich

    2018-03-01

    RNA (ribonucleic acid) molecules are highly flexible biopolymers fluctuating at physiological temperatures among many different conformations that are represented by minima in a hierarchical conformational free energy landscape. Here we have employed single-molecule FRET (smFRET) to explore the energy landscape of the B. subtilis yitJ SAM-I riboswitch (RS). In this small RNA molecule, specific binding of an S-adenosyl-L-methionine (SAM) ligand in the aptamer domain regulates gene expression by inducing structural changes in another domain, the expression platform, causing transcription termination by the RNA polymerase. We have measured smFRET histograms over wide ranges of Mg2+ concentration for three RS variants that were specifically labeled with fluorescent dyes on different sites. In the analysis, different conformations are associated with discrete Gaussian model distributions, which are typically fairly broad on the FRET efficiency scale and thus can be extremely challenging to unravel due to their mutual overlap. Our earlier work on two SAM-I RS variants revealed four major conformations. By introducing a global fitting procedure which models both the Mg2+ concentration dependencies of the fractional populations and the average FRET efficiencies of the individual FRET distributions according to Mg2+ binding isotherms, we were able to consistently describe the histogram data of both variants at all studied Mg2+ concentrations. With the third FRET-labeled variant, however, we found significant deviations when applying the four-state model to the data. This can arise because the different FRET labeling of the new variant allows two states to be distinguished that were previously not separable due to overlap. Indeed, the resulting five-state model presented here consistently describes the smFRET histograms of all three variants as well as their variations with Mg2+ concentration. We also performed a triangulation of the donor position for two of the constructs

  7. An integrated approach to radionuclide flow in semi-natural ecosystems underlying exposure pathways to man. Final report of the LANDSCAPE project

    International Nuclear Information System (INIS)

    Moberg, L.; Hubbard, L.; Avila, R.; Wallberg, L.; Feoli, E.; Scimone, M.; Milesi, C.; Mayes, B.; Iason, G.; Rantavaara, A.; Vetikko, V.; Bergman, R.; Nylen, T.; Palo, T.; White, N.; Guillitte, O.

    1999-10-01

    The general objective of the LANDSCAPE project has been to obtain a basis for reliable assessments of the radiation exposure to man under different time scales from radionuclides in plant and animal products of representative forest ecosystems in Europe. The work has been focussed on radiocaesium, 134 Cs, 137 Cs. In particular, the project has included (i) to quantify some major processes which influence the radiocaesium contamination of vegetation and fungi, (ii) to quantify radiocaesium intake of key herbivores, particularly free ranging moose, relative to food availability and degree of contamination, (iii) to quantify the influence of forest management on radiocaesium dynamics, and (iv) to incorporate these processes in dynamic models. The LANDSCAPE project has been the combined effort of eight research groups from five European countries, and this report describes the results obtained during 30 months of common work

  8. An integrated approach to radionuclide flow in semi-natural ecosystems underlying exposure pathways to man. Final report of the LANDSCAPE project

    Energy Technology Data Exchange (ETDEWEB)

    Moberg, L; Hubbard, L; Avila, R; Wallberg, L [Swedish Radiation Protection Inst., Stockholm (Sweden); Feoli, E; Scimone, M; Milesi, C [Trieste Univ. (Italy); Mayes, B; Iason, G [Macaulay Land Use Research Inst., Aberdeen (United Kingdom); Rantavaara, A; Vetikko, V [Radiation and Nuclear Safety Authority, Helsinki (Finland); Bergman, R; Nylen, T [National Defence Research Establishment, Umeaa (Sweden); Palo, T; White, N [Swedish Univ. of Agricultural Sciences, Umeaa (Sweden). Faculty of Forestry; Raitio, H; Aro, L; Kaunisto, S [The Finnish Forest Research Inst., Parkano (Finland); Guillitte, O [Faculte Univ. des Sciences Agronomiques de Gembloux (Belgium)

    1999-10-01

    The general objective of the LANDSCAPE project has been to obtain a basis for reliable assessments of the radiation exposure to man under different time scales from radionuclides in plant and animal products of representative forest ecosystems in Europe. The work has been focussed on radiocaesium, {sup 134}Cs, {sup 137}Cs. In particular, the project has included (i) to quantify some major processes which influence the radiocaesium contamination of vegetation and fungi, (ii) to quantify radiocaesium intake of key herbivores, particularly free ranging moose, relative to food availability and degree of contamination, (iii) to quantify the influence of forest management on radiocaesium dynamics, and (iv) to incorporate these processes in dynamic models. The LANDSCAPE project has been the combined effort of eight research groups from five European countries, and this report describes the results obtained during 30 months of common work.

  9. Navigating the new deregulated landscape: Opportunities and risks for wind energy

    Energy Technology Data Exchange (ETDEWEB)

    Fossum, D.J.; Hill, D.R. [Wiley, Rein & Fielding, Washington, DC (United States)

    1997-12-31

    Major changes in the law governing the electric industry are underway, fundamentally altering how the generation and sale of electric power is regulated and how electric power is marketed in the United States. Legislative and regulatory initiatives promoting competition will create a variety of opportunities, and commensurate risks, for power generators, marketers, brokers, sellers, and purchasers. To succeed in the new marketplace, suppliers of renewable energy must understand the changes occurring on the state and federal levels, and position themselves to take advantage of the opportunities available. In this environment, monitoring and participating in state and federal legislative and regulatory efforts will be crucial for maximizing opportunities for wind energy.

  10. Charting the energy landscape of metal/organic interfaces via machine learning

    Science.gov (United States)

    Scherbela, Michael; Hörmann, Lukas; Jeindl, Andreas; Obersteiner, Veronika; Hofmann, Oliver T.

    2018-04-01

    The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. In this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. We demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

  11. Dissipation of solar energy in landscape - controlled by management of water and vegetation

    Czech Academy of Sciences Publication Activity Database

    Pokorný, Jan

    2001-01-01

    Roč. 24, - (2001), s. 641-645 ISSN 0960-1481 R&D Projects: GA AV ČR KSK6005114 Institutional research plan: CEZ:AV0Z6005908 Keywords : Solar energy dissipation * vegetation * production -evapotranspiration Subject RIV: DA - Hydrology ; Limnology Impact factor: 0.224, year: 2001

  12. Potential energy landscape signatures of slow dynamics in glass forming liquids

    DEFF Research Database (Denmark)

    Sastry, S.; Debenedetti, P. G.; Stillinger, F. H.

    1999-01-01

    We study the properties of local potential energy minima (‘inherent structures’) sampled by liquids at low temperatures as an approach to elucidating the mechanisms of the observed dynamical slowing down observed as the glass transition temperature is approached. This onset of slow dynamics...

  13. Addressing the trade-climate change-energy nexus: China's explorations in a global governance landscape

    Directory of Open Access Journals (Sweden)

    Joachim Monkelbaan

    2014-12-01

    As a way forward, different approaches towards the governance of trade and climate change will be highlighted. Besides discussing the specific aspects of Chinese participation in global trade and climate change governance, this paper aims at offering broader insights into the nexus between trade, energy and climate governance in China.

  14. America's Changing Energy Landscape - USGS National Coal Resources Data System Changes to National Energy Resources Data System.

    Science.gov (United States)

    East, J. A., II

    2016-12-01

    The U.S. Geological Survey's (USGS) Eastern Energy Resources Science Center (EERSC) has an ongoing project which has mapped coal chemistry and stratigraphy since 1977. Over the years, the USGS has collected various forms of coal data and archived that data into the National Coal Resources Data System (NCRDS) database. NCRDS is a repository that houses data from the major coal basins in the United States and includes information on location, seam thickness, coal rank, geologic age, geographic region, geologic province, coalfield, and characteristics of the coal or lithology for that data point. These data points can be linked to the US Coal Quality Database (COALQUAL) to include ultimate, proximate, major, minor and trace-element data. Although coal is an inexpensive energy provider, the United States has shifted away from coal usage recently and branched out into other forms of non-renewable and renewable energy because of environmental concerns. NCRDS's primary method of data capture has been USGS field work coupled with cooperative agreements with state geological agencies and universities doing coal-related research. These agreements are on competitive five-year cycles that have evolved into larger scope research efforts including solid fuel resources such as coal-bed methane, shale gas and oil. Recently these efforts have expanded to include environmental impacts of the use of fossil fuels, which has allowed the USGS to enter into agreements with states for the Geologic CO2 Storage Resources Assessment as required by the Energy Independence and Security Act. In 2016 they expanded into research areas to include geothermal, conventional and unconventional oil and gas. The NCRDS and COALQUAL databases are now online for the public to use, and are in the process of being updated to include new data for other energy resources. Along with this expansion of scope, the database name will change to the National Energy Resources Data System (NERDS) in FY 2017.

  15. Energy landscapes shape microbial communities in hydrothermal systems on the Arctic Mid-Ocean Ridge

    OpenAIRE

    Dahle, H?kon; ?kland, Ingeborg; Thorseth, Ingunn H; Pederesen, Rolf B; Steen, Ida H

    2015-01-01

    Methods developed in geochemical modelling combined with recent advances in molecular microbial ecology provide new opportunities to explore how microbial communities are shaped by their chemical surroundings. Here, we present a framework for analyses of how chemical energy availability shape chemotrophic microbial communities in hydrothermal systems through an investigation of two geochemically different basalt-hosted hydrothermal systems on the Arctic Mid-Ocean Ridge: the Soria Moria Vent f...

  16. Landscapes of lost energy: counterfactual geographical imaginary for a more sustainable society

    Czech Academy of Sciences Publication Activity Database

    Van der Horst, Dan

    2014-01-01

    Roč. 22, č. 2 (2014), s. 66-72 ISSN 1210-8812 R&D Projects: GA MŠk EE2.3.20.0025 Institutional support: RVO:68145535 Keywords : counterfactual * imagery * imagination * energy literacy Subject RIV: DE - Earth Magnetism, Geodesy, Geography Impact factor: 0.872, year: 2014 http://www.geonika.cz/EN/research/ENMgr/MGR_2014_02.pdf

  17. Landscapes of Lost Energy: Counterfactual Geographical Imaginary for A More Sustainable Society

    Directory of Open Access Journals (Sweden)

    van der Horst Dan

    2014-07-01

    Full Text Available The quest for sustainable energy, one of the greatest challenges of the 21st century, calls for more input from academics than 'simply' producing good science. Geographical imaginations are as old as storytelling and mapmaking, but this essay is neither about 'long ago and far away', nor about utopian energy futures. This is a call to geographers to engage with 'alternative present' energy scenarios, using the full range of analytical and discursive tools at our disposal. Drawing on a diverse tradition of imagined spaces and the awareness of absences (material, relational or otherwise, geographers should be able to contribute to the quest for a more sustainable society by assessing, envisaging, and communicating a counterfactual 'here and now', based on good practices existing right now, but not (yet right here. We need to understand how much more sustainable our bit of the planet would be if we could just, environmentally speaking, 'keep up' with the best of our neighbours. This counterfactual present should be seen as neither radical nor utopian, because it only assumes the historic adoption of best practices which we now know to be feasible and successful. And if thi alternative current scenario looks radically different from the 'real' state we are in, then this goes to show how radically unsustainable our business-as-usual approach has been.

  18. RAAAF's office landscape The End of Sitting: Energy expenditure and temporary comfort when working in non-sitting postures.

    Directory of Open Access Journals (Sweden)

    Simone R Caljouw

    Full Text Available An earlier study suggested that the activity-inviting office landscape called "The End of Sitting", designed by Rietveld Architecture Art Affordances (RAAAF, should be considered as an alternative working environment to prevent sedentary behavior. The End of Sitting lacks chairs and tables but consists instead of a myriad of sloped surfaces at different heights that afford workers to stand, lean or recline at different locations. In this study, we assessed the impact of four of its workspaces on physical intensity, temporary comfort and productivity of office work and compared the outcomes with sitting and standing behind a desk. Twenty-four participants worked for 10 minutes in each of the six test conditions. Energy expenditure, measured by indirect calorimetry, and heart rate were recorded. Questionnaires were used to assess the perceived comfort. The number of words found in the word search test was counted as a measure of productivity. The majority of The End of Sitting workspaces led to a significant increase in energy expenditure compared with sitting behind a desk (ps < .05. Average MET values ranged from 1.40 to 1.58 which is a modest rise in energy expenditure compared to sitting (1.32 METs and not significantly different from standing (1.47 METs. The scores on the general comfort scale indicated that some workspaces were less comfortable than sitting (ps < .05, but the vast majority of participants reported that at least one of The End of Sitting workspaces was equally or more comfortable than sitting. No differences in productivity between the test conditions were found. Further long-term studies are required to assess the behavioral adaptations, productivity and the level of comfort when using The End of Sitting as a permanent office.

  19. Elucidation of the conformational free energy landscape in H.pylori LuxS and its implications to catalysis

    Directory of Open Access Journals (Sweden)

    Bhattacharyya Moitrayee

    2010-08-01

    Full Text Available Abstract Background One of the major challenges in understanding enzyme catalysis is to identify the different conformations and their populations at detailed molecular level in response to ligand binding/environment. A detail description of the ligand induced conformational changes provides meaningful insights into the mechanism of action of enzymes and thus its function. Results In this study, we have explored the ligand induced conformational changes in H.pylori LuxS and the associated mechanistic features. LuxS, a dimeric protein, produces the precursor (4,5-dihydroxy-2,3-pentanedione for autoinducer-2 production which is a signalling molecule for bacterial quorum sensing. We have performed molecular dynamics simulations on H.pylori LuxS in its various ligand bound forms and analyzed the simulation trajectories using various techniques including the structure network analysis, free energy evaluation and water dynamics at the active site. The results bring out the mechanistic details such as co-operativity and asymmetry between the two subunits, subtle changes in the conformation as a response to the binding of active and inactive forms of ligands and the population distribution of different conformations in equilibrium. These investigations have enabled us to probe the free energy landscape and identify the corresponding conformations in terms of network parameters. In addition, we have also elucidated the variations in the dynamics of water co-ordination to the Zn2+ ion in LuxS and its relation to the rigidity at the active sites. Conclusions In this article, we provide details of a novel method for the identification of conformational changes in the different ligand bound states of the protein, evaluation of ligand-induced free energy changes and the biological relevance of our results in the context of LuxS structure-function. The methodology outlined here is highly generalized to illuminate the linkage between structure and function in

  20. Nonequilibrium landscape theory of neural networks

    Science.gov (United States)

    Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin

    2013-01-01

    The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape–flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments. PMID:24145451

  1. How to subsidize energy efficiency under duopoly efficiently?

    International Nuclear Information System (INIS)

    Nie, Pu-yan; Yang, Yong-cong; Chen, You-hua; Wang, Zhao-hui

    2016-01-01

    Highlights: • This article captures the effects of output subsidy. • Firms without subsidy are not willing to improve energy efficiency. • Subsidy stimulates the subsidized firms’ outputs and deters the others’ outputs. • The subsidy intensity depends on firms’ position. • Overdue subsidy cannot reach the environmental object. - Abstract: Establishing a game theory model, this paper captures the effects of output subsidy on energy efficiency under Cournot competition and Stackelberg competition. Three types of subsidies are considered in the model, namely without subsidy, unilateral subsidy and bilateral subsidy. The findings indicate that firms without subsidy are not willing to improve energy efficiency. Also, subsidy stimulates the subsidized firms’ outputs while deters the outputs of other firms. Meanwhile, the equilibrium subsidy intensity depends on firms’ position. Furthermore, the minimal subsidy budgets under different situations are presented. Especially, given the fixed subsidy budget, the output of the subsidized firm is the highest if this firm plays the leading position. In addition, certain subsidy can reduce the total emission, while overdue subsidy cannot reach the environmental object.

  2. Weathering and landscape evolution

    Science.gov (United States)

    Turkington, Alice V.; Phillips, Jonathan D.; Campbell, Sean W.

    2005-04-01

    In recognition of the fundamental control exerted by weathering on landscape evolution and topographic development, the 35th Binghamton Geomorphology Symposium was convened under the theme of Weathering and Landscape Evolution. The papers and posters presented at the conference imparted the state-of-the-art in weathering geomorphology, tackled the issue of scale linkage in geomorphic studies and offered a vehicle for interdisciplinary communication on research into weathering and landscape evolution. The papers included in this special issue are encapsulated here under the general themes of weathering mantles, weathering and relative dating, weathering and denudation, weathering processes and controls and the 'big picture'.

  3. Landscape Transformation under Global Environmental Change in Mediterranean Mountains: Agrarian Lands as a Guarantee for Maintaining Their Multifunctionality

    Directory of Open Access Journals (Sweden)

    Diego Varga

    2018-01-01

    Full Text Available The analysis of past and present patterns of agrarian mountain areas allows researchers to characterize the influence of landscape heterogeneity on biodiversity, cultural heritage, and forest fire hazard. This process was mapped, quantified, and described through the use of digital mapping (GIS and landscape indexes in a protected area in Alta Garrotxa (Catalonia, Spain. These areas require urgent management and modelling to provide alternative management scenarios, in order to maintain and recover habitats. A set of different scenarios have been designed using a multi-criteria evaluation and geospatial information available for the study area to identify the key areas for management action and to predict the potential effects on agricultural lands by prioritizing one or another management objective: biodiversity, landscape structure and perception, cultural heritage, fire hazard, and management cost. The observed progressive land abandonment of open areas with a small size and greater isolation will have a large impact on biodiversity and cultural heritage, and increase fire risk. Sustainable development will require planning objectives compatible with the conservation of biodiversity and the preservation of Mediterranean features with support for agricultural activities. This methodology can contribute to and be easily implemented by land managers, which could help to strengthen the link between managers and stakeholders.

  4. LANDSCAPE ECOLOGICAL METHOD TO STUDY AGRICULTURAL VEGETATION: SOME EXAMPLES FROM THE PO VALLEY

    Directory of Open Access Journals (Sweden)

    E. GIGLIO

    2006-01-01

    Full Text Available Vegetation is the most important landscape component, as regards to its ability to catch solar energy and to transform it, but also to shape the landscape, to structure the space, to create the fit environment for different animal species, to contribute to the maintenance of a correct metastability level for the landscape, etc. It is a biological system which acts under the constraints of the principles of the System Theory and owns the same properties of any other living system: so, it is a complex adaptive, hierarchical, dynamic, dissipative, self-organizing, self-transcendent, autocatalytic, self-maintaining system and follows the non-equilibrium thermodynamic. Its ecological state can be investigated through the comparison between “gathered data” (pathology and “normal data” (physiology for analogous types of vegetation. The Biological Integrated School of Landscape Ecology provides an integrated methodology to define ecological threshold limits of the different Agricultural Landscape types and applies to agricultural vegetation the specific part of the new methodology already tested to studying forests (the Landscape Biological Survey of Vegetation. Ecological quality, better and worst parameters, biological territorial capacity of vegetated corridors, agricultural field, poplar groves, orchards and woody remnant patches are investigated. Some examples from diverse agricultural landscapes of the Po Valley will be discussed. KEY WORDS: agricultural landscape, vegetation, landscape ecology, landscape health, Biological Integrated Landscape Ecology, Landscape Biological Survey of vegetation.

  5. LANDSCAPE ECOLOGICAL METHOD TO STUDY AGRICULTURAL VEGETATION: SOME EXAMPLES FROM THE PO VALLEY

    Directory of Open Access Journals (Sweden)

    E. GIGLIO

    2006-05-01

    Full Text Available Vegetation is the most important landscape component, as regards to its ability to catch solar energy and to transform it, but also to shape the landscape, to structure the space, to create the fit environment for different animal species, to contribute to the maintenance of a correct metastability level for the landscape, etc. It is a biological system which acts under the constraints of the principles of the System Theory and owns the same properties of any other living system: so, it is a complex adaptive, hierarchical, dynamic, dissipative, self-organizing, self-transcendent, autocatalytic, self-maintaining system and follows the non-equilibrium thermodynamic. Its ecological state can be investigated through the comparison between “gathered data” (pathology and “normal data” (physiology for analogous types of vegetation. The Biological Integrated School of Landscape Ecology provides an integrated methodology to define ecological threshold limits of the different Agricultural Landscape types and applies to agricultural vegetation the specific part of the new methodology already tested to studying forests (the Landscape Biological Survey of Vegetation. Ecological quality, better and worst parameters, biological territorial capacity of vegetated corridors, agricultural field, poplar groves, orchards and woody remnant patches are investigated. Some examples from diverse agricultural landscapes of the Po Valley will be discussed. KEY WORDS: agricultural landscape, vegetation, landscape ecology, landscape health, Biological Integrated Landscape Ecology, Landscape Biological Survey of vegetation.

  6. Spatial demographic models to inform conservation planning of golden eagles in renewable energy landscapes

    Science.gov (United States)

    Wiens, J. David; Schumaker, Nathan H.; Inman, Richard D.; Esque, Todd C.; Longshore, Kathleen M.; Nussear, Kenneth E

    2017-01-01

    Spatial demographic models can help guide monitoring and management activities targeting at-risk species, even in cases where baseline data are lacking. Here, we provide an example of how site-specific changes in land use and anthropogenic stressors can be incorporated into a spatial demographic model to investigate effects on population dynamics of Golden Eagles (Aquila chrysaetos). Our study focused on a population of Golden Eagles exposed to risks associated with rapid increases in renewable energy development in southern California, U.S.A. We developed a spatially explicit, individual-based simulation model that integrated empirical data on demography of Golden Eagles with spatial data on the arrangement of nesting habitats, prey resources, and planned renewable energy development sites. Our model permitted simulated eagles of different stage-classes to disperse, establish home ranges, acquire prey resources, prospect for breeding sites, and reproduce. The distribution of nesting habitats, prey resources, and threats within each individual's home range influenced movement, reproduction, and survival. We used our model to explore potential effects of alternative disturbance scenarios, and proposed conservation strategies, on the future distribution and abundance of Golden Eagles in the study region. Results from our simulations suggest that probable increases in mortality associated with renewable energy infrastructure (e.g., collisions with wind turbines and vehicles, electrocution on power poles) could have negative consequences for population trajectories, but that site-specific conservation actions could reduce the magnitude of negative effects. Our study demonstrates the use of a flexible and expandable modeling framework to incorporate spatially dependent processes when determining relative effects of proposed management options to Golden Eagles and their habitats.

  7. Canvassing the Cyber Security Landscape: Why Energy Companies Need to Pay Attention

    OpenAIRE

    Averill, B.; Luiijf, H.A.M.

    2010-01-01

    Recent news of a “highly sophisticated and targeted” cyber attack on Google, Yahoo, and perhaps on as many as a dozen other companies has once again brought the issue of cyber security to the top of the news. Internet companies, however, are not the only ones vulnerable to such attacks. Over the past decade, a series of events has highlighted the vulnerability of the electric grid and other energy infrastructures to both cyber disruptions (due, e.g., to malware) and from outside attacks using...

  8. On Maximizing the Throughput of Packet Transmission under Energy Constraints.

    Science.gov (United States)

    Wu, Weiwei; Dai, Guangli; Li, Yan; Shan, Feng

    2018-06-23

    More and more Internet of Things (IoT) wireless devices have been providing ubiquitous services over the recent years. Since most of these devices are powered by batteries, a fundamental trade-off to be addressed is the depleted energy and the achieved data throughput in wireless data transmission. By exploiting the rate-adaptive capacities of wireless devices, most existing works on energy-efficient data transmission try to design rate-adaptive transmission policies to maximize the amount of transmitted data bits under the energy constraints of devices. Such solutions, however, cannot apply to scenarios where data packets have respective deadlines and only integrally transmitted data packets contribute. Thus, this paper introduces a notion of weighted throughput, which measures how much total value of data packets are successfully and integrally transmitted before their own deadlines. By designing efficient rate-adaptive transmission policies, this paper aims to make the best use of the energy and maximize the weighted throughput. What is more challenging but with practical significance, we consider the fading effect of wireless channels in both offline and online scenarios. In the offline scenario, we develop an optimal algorithm that computes the optimal solution in pseudo-polynomial time, which is the best possible solution as the problem undertaken is NP-hard. In the online scenario, we propose an efficient heuristic algorithm based on optimal properties derived for the optimal offline solution. Simulation results validate the efficiency of the proposed algorithm.

  9. The market of energy storage. Stakes and perspectives by 2020 - Analysis of the competitive landscape

    International Nuclear Information System (INIS)

    2013-01-01

    Within a context of lack of regulatory framework, of existence of technological deadlocks, and of absence of any defined business model, this publication reports a study of the emerging market of energy storage. It examines the role public authorities can play to promote investments in this sector, what are the opportunities for operators, and which are the perspectives on the middle term for the French market. In order to highlight recent and future evolutions of stationary and embarked storage, the authors propose an analysis of the main market growth drivers and brakes, a focus on the impact of regulatory, legal, economic, tax-related, technological, and social-cultural factors on sector stakeholders. They also propose an overview of the market status for the cases of stationary and embarked storage, and of the main challenges for these both segments. A panorama of existing actors is given with an analysis of their position, strengths and weaknesses, and of the main axis of development for 4 categories of actors (industries, battery manufacturers, energy operators, and start ups)

  10. 3D modeling of satellite spectral images, radiation budget and energy budget of urban landscapes

    Science.gov (United States)

    Gastellu-Etchegorry, J. P.

    2008-12-01

    DART EB is a model that is being developed for simulating the 3D (3 dimensional) energy budget of urban and natural scenes, possibly with topography and atmosphere. It simulates all non radiative energy mechanisms (heat conduction, turbulent momentum and heat fluxes, water reservoir evolution, etc.). It uses DART model (Discrete Anisotropic Radiative Transfer) for simulating radiative mechanisms: 3D radiative budget of 3D scenes and their remote sensing images expressed in terms of reflectance or brightness temperature values, for any atmosphere, wavelength, sun/view direction, altitude and spatial resolution. It uses an innovative multispectral approach (ray tracing, exact kernel, discrete ordinate techniques) over the whole optical domain. This paper presents two major and recent improvements of DART for adapting it to urban canopies. (1) Simulation of the geometry and optical characteristics of urban elements (houses, etc.). (2) Modeling of thermal infrared emission by vegetation and urban elements. The new DART version was used in the context of the CAPITOUL project. For that, districts of the Toulouse urban data base (Autocad format) were translated into DART scenes. This allowed us to simulate visible, near infrared and thermal infrared satellite images of Toulouse districts. Moreover, the 3D radiation budget was used by DARTEB for simulating the time evolution of a number of geophysical quantities of various surface elements (roads, walls, roofs). Results were successfully compared with ground measurements of the CAPITOUL project.

  11. Energy landscape and dynamics of brain activity during human bistable perception.

    Science.gov (United States)

    Watanabe, Takamitsu; Masuda, Naoki; Megumi, Fukuda; Kanai, Ryota; Rees, Geraint

    2014-08-28

    Individual differences in the structure of parietal and prefrontal cortex predict the stability of bistable visual perception. However, the mechanisms linking such individual differences in brain structures to behaviour remain elusive. Here we demonstrate a systematic relationship between the dynamics of brain activity, cortical structure and behaviour underpinning bistable perception. Using fMRI in humans, we find that the activity dynamics during bistable perception are well described as fluctuating between three spatially distributed energy minimums: visual-area-dominant, frontal-area-dominant and intermediate states. Transitions between these energy minimums predicted behaviour, with participants whose brain activity tend to reflect the visual-area-dominant state exhibiting more stable perception and those whose activity transits to frontal-area-dominant states reporting more frequent perceptual switches. Critically, these brain activity dynamics are correlated with individual differences in grey matter volume of the corresponding brain areas. Thus, individual differences in the large-scale dynamics of brain activity link focal brain structure with bistable perception.

  12. Wave Runup on a Frozen Beach Under High Energy Conditions

    Science.gov (United States)

    Didier, D.; Bernatchez, P.; Dumont, D.; Corriveau, M.

    2017-12-01

    High and mid-latitude beaches have typical morphological characteristics influenced by nearshore processes prevailing under ice conditions during cold season. Nearshore ice complexes (NIC) offer a natural coastal protection by covering beach sediments, while offshore ice-infested waters dissipate incoming waves. Climate change contributes to sea ice shrinking therefore reducing its protection against erosion and flooding. In the Estuary and Gulf of the St. Lawrence (ESL, GSL) (eastern Canada), sea ice cover undergoes an overall shrinking and simulated future projections tend toward a negligible effect on wave climate by 2100. Quantifying the effect of nearshore dynamics on frozen beaches is therefore imperative for coastal management as more wave energy at the coast is expected in the future. To measure the effect of a frozen beach on wave runup elevations, this study employs a continuous video recording of the swash motion at 4Hz. Video-derived wave runup statistics have been extracted during a tidal cycle on a frozen beach, using the Pointe-Lebel beach (ESL) as a test case. Timestack analysis was combined with offshore water levels and wave measurements. A comparison of runup under icy conditions (Dec. 30 2016) with a runup distribution during summer was made under similar high energy wave conditions. Results indicate high runup excursions potentially caused by lowered sediment permeability due to high pore-ice saturation in the swash zone, accentuating the overwash of the eroding coastline and thus the risk of flooding. With projected reduction in coastal sea ice cover and thus higher wave energy, this study suggests that episodes of degradation and weakening could influence the coastal flood risk in mid- and high-latitude cold environments.

  13. Geoinformational modelling of the land use of Polesye and Opolje landscapes in Bryansk region (Russia) under conditions of 137Cs radionuclides contamination

    Science.gov (United States)

    Nenko, Christina; Linnik, Vitaliy; Volkova, Nadezhda

    2015-04-01

    Significant part of Russian Federation was contaminated by 137Cs radionuclides due to Chernobyl disaster in 1986. South-western part of Bryansk region has suffered the most. Study area (the central part of Bryansk region, Polesye and high plains landscapes) is situated outside the officially specified zone of contamination with contamination levels under 1 Ci / km2. Nevertheless, such contamination levels (which are 20 times greater than levels of global fallout) require particular attention as it may contain a threat of the land use and the health of population, living within the territory. Radioactive contamination within the model area was formed as a result of a "dry" deposition from the atmosphere. Consequently, the initial contamination of soil by isotopes 137Cs, unlike the western part of the Bryansk region, was spread relatively equally. The main part of 137Cs (up to 90%) in natural landscapes is contained in the top 5 cm of soil, which itself creates danger of biogeochemical migration from soil to plants. In agricultural landscapes under cultivation 137Cs is uniformly spread within a 20 cm layer of soil and can also come from soil to plants grown in the fields. The area of radioactive contamination that was formed during the period of deposition (late April - early May 1986), is exposed to the processes of secondary redistribution. It is influenced by several factors as topography, vegetation type, proportion of arable soils, soil humidity, soil texture etc. In the presented study there was evaluated the impact of these factors on the secondary redistribution of 137Cs. Sustainable development of agricultural production in the contaminated territories requires managing a number of measures to reduce radiation risks to the population. Regarding this point the greatest threat may be represented by milk production, as well as picking berries and mushrooms. Planning of the sustainable use of the territory requires an evaluation of contamination levels within

  14. Impacts of the cultivation of energy crops for generation of biogas on the landscape structure and avifauna; Auswirkungen des Energiepflanzenanbaus zur Biogaserzeugung auf Landschaftsstruktur und Avifauna

    Energy Technology Data Exchange (ETDEWEB)

    Ruehmkorf, Hilke

    2011-07-01

    In its effort to implement new climate and energy policies, Germany has been heavily promoting the adoption of renewable energies. This has brought about a dramatic change in the use of arable land during the last years. The primary objective of this study was therefore to assess the effect of energy cropping on existing landscape structures in intensively cultivated regions in the course of the year. According to the available structural parameters an investigation was conducted to ascertain the fallout of energy plant cultivation on both migratory and overwintering birds. The period covered entailed the winter months. Both the advent of the energy crops as well as the associated biogas facilities that sprang up outside built-in areas seem to have reshaped the existing agricultural landscape. Hence, an additional aim of this study was to identify birds that use biogas plants for breeding or as a feeding habitat in winter. In conclusion, it can be asserted that energy crops can definitely contribute to the expansion of structural diversity in the agricultural landscape provided those energy crops were not cultivated on a large scale prior to the advent of the biogas facilities. Hence, there is still room for further energy crop diversification as its potential has not been exhausted. During the winter months mostly common species such as the carrion crow or the wood pigeon consider the maize fields as a viable source of nutrition. Cranes are seen as newcomers, as they probably started resting in the 'Boerde' precisely due to the advent of energy maize cultivation. And more availability of nourishment when the ground is covered by snow is another benefit the avifauna reaps from biogas plants. However, for endangered farmland birds this type of nutrition is a rarely used source, as it runs counter to their escape strategies and food preferences. For these species the habitat function and the food availability depends especially on how the land is managed (e

  15. Information Resources in High-Energy Physics Surveying the Present Landscape and Charting the Future Course

    CERN Document Server

    Gentil-Beccot, Anne; Mele, Salvatore; Holtkamp, Annette; O'Connell, Heath B; Brooks, Travis C

    2009-01-01

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the field of information management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the field reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the field. The survey offers an insight into the most importan...

  16. Photovoltaic performance and the energy landscape of CH3NH3PbI3.

    Science.gov (United States)

    Zhou, Yecheng; Huang, Fuzhi; Cheng, Yi-Bing; Gray-Weale, Angus

    2015-09-21

    Photovoltaic cells with absorbing layers of certain perovskites have power conversion efficiencies up to 20%. Among these materials, CH3NH3PbI3 is widely used. Here we use density-functional theory to calculate the energies and rotational energy barriers of a methylammonium ion in the α or β phase of CH3NH3PbI3 with differently oriented neighbouring methylammonium ions. Our results suggest the methylammonium ions in CH3NH3PbI3 prefer to rotate collectively, and to be parallel to their neighbours. Changes in polarization on rotation of methylammonium ions are two to three times larger than those on relaxation of the lead ion from the centre of its coordination shell. The preferences for parallel configuration and concerted rotation, with the polarisation changes, are consistent with ferroelectricity in the material, and indicate that this polarisation is governed by methylammonium orientational correlations. We show that the field due to this polarisation is strong enough to screen the field hindering charge transport, and find this screening field in agreement with experiment. We examine two possible mechanisms for the effect of methylammonium ion rotation on photovoltaic performance. One is that rearrangement of methylammoniums promotes the creation and transport of charge carriers. Some effective masses change greatly, but changes in band structure with methylammonium rotation are not large enough to explain current-voltage hysteresis behaviour. The second possible mechanism is that polarization screens the hindering electric field, which arises from charge accumulation in the transport layers. Polarization changes on methylammonium rotation favour this second mechanism, suggesting that collective reorientation of methylammonium ions in the bulk crystal are in significant part responsible for the hysteresis and power conversion characteristics of CH3NH3PbI3 photovoltaic cells.

  17. A landscape ecology approach to assessing development impacts in the tropics: A geothermal energy example in Hawaii

    Science.gov (United States)

    Griffith, J.A.; Trettin, C.C.; O'Neill, R. V.

    2002-01-01

    Geographic information systems (GIS) are increasingly being used in environmental impact assessments (EIA) because GIS is useful for analysing spatial impacts of various development scenarios. Spatially representing these impacts provides another tool for landscape ecology in environmental and geographical investigations by facilitating analysis of the effects of landscape patterns on ecological processes and examining change over time. Landscape ecological principles are applied in this study to a hypothetical geothermal development project on the Island of Hawaii. Some common landscape pattern metrics were used to analyse dispersed versus condensed development scenarios and their effect on landscape pattern. Indices of fragmentation and patch shape did not appreciably change with additional development. The amount of forest to open edge, however, greatly increased with the dispersed development scenario. In addition, landscape metrics showed that a human disturbance had a greater simplifying effect on patch shape and also increased fragmentation than a natural disturbance. The use of these landscape pattern metrics can advance the methodology of applying GIS to EIA.

  18. Landscape Ecology

    DEFF Research Database (Denmark)

    Christensen, Andreas Aagaard; Brandt, Jesper; Svenningsen, Stig Roar

    2017-01-01

    Landscape ecology is an interdisciplinary field of research and practice that deals with the mutual association between the spatial configuration and ecological functioning of landscapes, exploring and describing processes involved in the differentiation of spaces within landscapes......, and the ecological significance of the patterns which are generated by such processes. In landscape ecology, perspectives drawn from existing academic disciplines are integrated based on a common, spatially explicit mode of analysis developed from classical holistic geography, emphasizing spatial and landscape...... pattern analysis and ecological interaction of land units. The landscape is seen as a holon: an assemblage of interrelated phenomena, both cultural and biophysical, that together form a complex whole. Enduring challenges to landscape ecology include the need to develop a systematic approach able...

  19. Information resources in high-energy physics. Surveying the present landscape and charting the future course

    Energy Technology Data Exchange (ETDEWEB)

    Gentil-Beccot, A.; Mele, S. [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Holtkamp, A. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); O' Connell, H.B. [Fermi National Accelerator Lab., Batavia, IL (United States); Brooks, T.C. [Stanford Linear Accelerator Center, Menlo Park, CA (United States)

    2008-04-15

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the eld of infor- mation management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the eld reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the eld. The survey o ers an in- sight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities. (orig.)

  20. Ionic Strength Modulation of the Free Energy Landscape of Aβ40 Peptide Fibril Formation.

    Science.gov (United States)

    Abelein, Axel; Jarvet, Jüri; Barth, Andreas; Gräslund, Astrid; Danielsson, Jens

    2016-06-01

    Protein misfolding and formation of cross-β structured amyloid fibrils are linked to many neurodegenerative disorders. Although recently developed quantitative approaches have started to reveal the molecular nature of self-assembly and fibril formation of proteins and peptides, it is yet unclear how these self-organization events are precisely modulated by microenvironmental factors, which are known to strongly affect the macroscopic aggregation properties. Here, we characterize the explicit effect of ionic strength on the microscopic aggregation rates of amyloid β peptide (Aβ40) self-association, implicated in Alzheimer's disease. We found that physiological ionic strength accelerates Aβ40 aggregation kinetics by promoting surface-catalyzed secondary nucleation reactions. This promoted catalytic effect can be assigned to shielding of electrostatic repulsion between monomers on the fibril surface or between the fibril surface itself and monomeric peptides. Furthermore, we observe the formation of two different β-structured states with similar but distinct spectroscopic features, which can be assigned to an off-pathway immature state (Fβ*) and a mature stable state (Fβ), where salt favors formation of the Fβ fibril morphology. Addition of salt to preformed Fβ* accelerates transition to Fβ, underlining the dynamic nature of Aβ40 fibrils in solution. On the basis of these results we suggest a model where salt decreases the free-energy barrier for Aβ40 folding to the Fβ state, favoring the buildup of the mature fibril morphology while omitting competing, energetically less favorable structural states.

  1. Information resources in high-energy physics. Surveying the present landscape and charting the future course

    International Nuclear Information System (INIS)

    Gentil-Beccot, A.; Mele, S.; Holtkamp, A.; O'Connell, H.B.; Brooks, T.C.

    2008-04-01

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the eld of infor- mation management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the eld reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the eld. The survey o ers an in- sight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally ''early adopters'' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities. (orig.)

  2. Information resources in high-energy physics. Surveying the present landscape and charting the future course

    Energy Technology Data Exchange (ETDEWEB)

    Gentil-Beccot, A; Mele, S [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Holtkamp, A [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); O' Connell, H B [Fermi National Accelerator Lab., Batavia, IL (United States); Brooks, T C [Stanford Linear Accelerator Center, Menlo Park, CA (United States)

    2008-04-15

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the eld of infor- mation management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the eld reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the eld. The survey o ers an in- sight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities. (orig.)

  3. Information Resources in High-Energy Physics: Surveying the Present Landscape and Charting the Future Course

    Energy Technology Data Exchange (ETDEWEB)

    Gentil-Beccot, Anne; Mele, Salvatore; Holtkamp, Annette; O' Connell, Heath B.; Brooks, Travis C.

    2008-04-22

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the field of information management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the field reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the field. The survey offers an insight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities.

  4. Information Resources in High-Energy Physics: Surveying the Present Landscape and Charting the Future Course

    International Nuclear Information System (INIS)

    Gentil-Beccot, Anne; Mele, Salvatore; Holtkamp, Annette; O'Connell, Heath B.; Brooks, Travis C.

    2008-01-01

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the field of information management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the field reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the field. The survey offers an insight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities

  5. Characterization of climate- and human-induced slope, soil and grassland dynamics in Bavarian landscapes under climate change

    Science.gov (United States)

    Waltl, Peter; Schwindt, Daniel; Völkel, Jörg

    2016-04-01

    Since the Neolithic Revolution the intensification of agriculture has been causing increased erosion in Bavarian landscapes. The correlated sediments often induce the formation of new colluvial and alluvial soils (WRB: Regic Anthrosol and Fluvisol i.a.). The soils themselves are able to absorb, bind, and store considerable amounts of C- and N-compounds. Therefore, they are important reactors regarding climate-relevant greenhouse-gas balances in the atmosphere. Learning about the exact spatial extent and thickness of these soils in representative landscapes, but also about their geneses and processes is essential. It allows for a detailed quantification and understanding of the current and potential properties and characteristics of these soils in their role of greenhouse-gas reactors. Two research locations were elected as representative Bavarian landscapes composed of different lithology and pedo-chemical environments (limestone versus crystalline setting): Rottenbuch is situated at the Ammer River in the Upper Bavarian pre-alpine forelands (Lkr. Weilheim-Schongau). The Otterbach Creek lies at the southwestern foothills of the Bavarian Forest at the Donaurandbruch tectonic line next to Donaustauf (Lkr. Regensburg). Detailed information on the soil horizons and layers within these research areas are accumulated by sounding or burrowing soil profiles and subsequently analyzing the soil samples in the lab. Geophysical methods, such as electrical resistivity tomography (ERT), seismic refraction tomography (SRT), and ground penetrating radar (GPR), allow for the extension of this point-source information into three dimensions. By repeatedly and regularly applying these methods, also temporal changes such as soil hydrology or freeze and thaw cycles can be monitored and their influence on fluxes and exchanges can be taken into account.

  6. Optimal Placement of Energy Storage and Wind Power under Uncertainty

    Directory of Open Access Journals (Sweden)

    Pilar Meneses de Quevedo

    2016-07-01

    Full Text Available Due to the rapid growth in the amount of wind energy connected to distribution grids, they are exposed to higher network constraints, which poses additional challenges to system operation. Based on regulation, the system operator has the right to curtail wind energy in order to avoid any violation of system constraints. Energy storage systems (ESS are considered to be a viable solution to solve this problem. The aim of this paper is to provide the best locations of both ESS and wind power by optimizing distribution system costs taking into account network constraints and the uncertainty associated to the nature of wind, load and price. To do that, we use a mixed integer linear programming (MILP approach consisting of loss reduction, voltage improvement and minimization of generation costs. An alternative current (AC linear optimal power flow (OPF, which employs binary variables to define the location of the generation, is implemented. The proposed stochastic MILP approach has been applied to the IEEE 69-bus distribution network and the results show the performance of the model under different values of installed capacities of ESS and wind power.

  7. Plans for the development of infrastructure and tourism activities in landscape parks under the State Forests’ administration

    OpenAIRE

    Referowska-Chodak, Ewa

    2015-01-01

    The aim of the study was to present plans (up to 2030) for the development of infrastructure and tourism activities in the Polish landscape parks located in the area of the State Forests’ administration. At the end of 2013, a survey was conducted the results of which were verified and their analysis completed in 2014. The questionnaire was sent to the directorates of all 122 parks. 70.5% of the directorates replied to the open question inquiring about their plans and demands for tourist ac...

  8. Planning nuclear energy centers under technological and demand uncertainty

    International Nuclear Information System (INIS)

    Meier, P.M.; Palmedo, P.F.

    1976-01-01

    The question considered is whether new nuclear power plants should be located in nuclear energy centers, or ''power parks'' with co-located fabrication and reprocessing facilities. That issue has been addressed in a recent study by the Nuclear Regulatory Commission and remains under investigation at Brookhaven and elsewhere. So far, however, the advisability of this policy has been analyzed primarily within the framework of a single view of the future. Suggestions of the types of questions that should be asked regarding this policy if it is properly to be viewed as an example of decision making under uncertainty are made. It is concluded that ''A consideration of the various uncertainties involved in the question of dispersed vs. remote siting of energy facilities introduces a number of new elements into the analysis. On balance those considerations provide somewhat greater support for the clustered concept. The NEC approach seems to provide somewhat greater flexibility in accomodating possible future electricity generating technologies. Increased regulatory and construction efficiencies possible in an NEC reduces the impact of demand uncertainty as does the lower costs associated with construction acceleration or deceleration.'' It is also noted that, in the final analysis, ''it is the public's perception of the relative costs and benefits of a measure that determine the acceptability or unacceptability of a particular innovation,'' not the engineer's cost/benefit analysis. It is further noted that if the analysis can identify limits on analytical methods and models, it will not make the job of energy decision-making any easier, but it may make the process more responsive to its impact on society

  9. Accounting for asymmetric price responses and underlying energy demand trends in OECD industrial energy demand

    International Nuclear Information System (INIS)

    Adeyemi, Olutomi I.; Hunt, Lester C.

    2014-01-01

    This paper explores the way technical progress and improvements in energy efficiency are captured when modelling OECD industrial energy demand. The industrial sectors of the developed world involve a number of different practices and processes utilising a range of different technologies. Consequently, given the derived demand nature of energy, it is vital when modelling industrial energy demand that the impact of technical progress is appropriately captured. However, the energy economics literature does not give a clear guide on how this can be achieved; one strand suggests that technical progress is ‘endogenous’ via asymmetric price responses whereas another strand suggests that it is ‘exogenous’. More recently, it has been suggested that potentially there is a role for both ‘endogenous’ technical progress and ‘exogenous’ technical progress and consequently the general model should be specified accordingly. This paper therefore attempts to model OECD industrial energy demand using annual time series data over the period 1962–2010 for 15 OECD countries. Using the Structural Time Series Model framework, the general specifications allow for both asymmetric price responses (for technical progress to impact endogenously) and an underlying energy demand trend (for technical progress and other factors to impact exogenously, but in a non-linear way). The results show that almost all of the preferred models for OECD industrial energy demand incorporate both a stochastic underlying energy demand trend and asymmetric price responses. This gives estimated long-run income elasticities in the range of 0.34 to 0.96; estimated long-run price-maximum elasticities in the range of − 0.06 to − 1.22; estimated long-run price-recovery elasticities in the range of 0.00 to − 0.27; and estimated long-run price-cut elasticities in the range of 0.00 to − 0.18. Furthermore, the analysis suggests that when modelling industrial energy demand there is a place for

  10. The importance of on-site evaluation for placing renewable energy in the landscape: A case study of the Búrfell wind farm (Iceland)

    Czech Academy of Sciences Publication Activity Database

    Frantál, Bohumil; Bevk, T.; van Veelen, B.; Hărmănescu, M.; Benediktsson, K.

    2017-01-01

    Roč. 25, č. 4 (2017), s. 234-247 ISSN 1210-8812 R&D Projects: GA ČR GA16-04483S Institutional support: RVO:68145535 Keywords : wind energy * landscape perception * Iceland Subject RIV: DE - Earth Magnetism, Geodesy, Geography OBOR OECD: Environmental sciences (social aspects) Impact factor: 2.149, year: 2016 http://www.geonika.cz/EN/research/ENMGRClanky/2017_4_FRANT%C3%81L.pdf

  11. Subjects of the energy industry under yen appreciation; Endakaka ni okeru energy sangyo no kadai

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-07-01

    This paper studied effects of yen appreciation on the Japanese economy and changes in energy demand when assuming the medium-term yen appreciation trend, and subjects in the energy industry. The paper also refers to the trend of the Asian material industry largely influencing the energy supply/demand, the risk hedge problem of the exchange, and international cooperation and business development of the energy industry. The energy industry is extremely high in public interest and is rice of the industry. Therefore, the development of the business has focused on the domestic market. However, such a recognition is forced to be changed by waves of the worldwide deregulation. Discussions on foreign/domestic price differences caused by high yen and a series of deregulation policy in the energy industry affected thereby may be concrete signs. The subject in the energy industry under the yen appreciation is that the energy industry will be close to common sense in general industrial circles and change to an industry which is strong and internationally competitive enough to brave the exchange variation. 101 refs., 104 figs., 31 tabs.

  12. Under-use of body energy and over-use of external energy

    Energy Technology Data Exchange (ETDEWEB)

    Norgard, Jorgen Stig [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Civil Engineering

    2005-07-01

    The world's affluent countries, such as the EU, are facing two severe problems with long-term consequences. One problem is the epidemic-like increase in adverse health effects, which are related to the increasing wealth, primarily appearing as obesity and its associated diseases. This is caused by overeating and under-use of the body energy, due to increased use of mechanized and energy consuming assistance for transport and other daily tasks. This connects to the other problem, namely these countries' excessive use of fossil fuels and other environmentally harmful forms of nature's external energy. This paper illuminates the options for integrated solutions to the two problems by making more use of body energy as a means to reduce the use of nature's external energy. First is listed a human's body energy used for various tasks and occupations, showing that a person's use of external energy is an order of magnitude higher, which can be expressed by the scores of 'energy slaves' each citizen utilizes. An extra health driven physical effort by humans seems to have negligible direct impact on energy consumption. The paper will, however, indicate examples of significant indirect savings of external energy, achieved by healthy extra human efforts. Also, the paper will suggest ways to integrate energy saving policies with health policies for organizing and designing cities and houses to be 'healthy inconvenient', encouraging or pushing people to use their body in their daily doings. This is an enormous challenge to the conventional way of thinking among architects, engineers, planners, as well as individuals in general.

  13. State-and-transition simulation modeling to compare outcomes of alternative management scenarios under two natural disturbance regimes in a forested landscape in northeastern Wisconsin, USA

    Directory of Open Access Journals (Sweden)

    Amanda Swearingen

    2015-07-01

    Full Text Available Comparisons of the potential outcomes of multiple land management strategies and an understanding of the influence of potential increases in climate-related disturbances on these outcomes are essential for long term land management and conservation planning. To provide these insights, we developed an approach that uses collaborative scenario development and state-and-transition simulation modeling to provide land managers and conservation practitioners with a comparison of potential landscapes resulting from alternative management scenarios and climate conditions, and we have applied this approach in the Wild Rivers Legacy Forest (WRLF area in northeastern Wisconsin. Three management scenarios were developed with input from local land managers, scientists, and conservation practitioners: 1 continuation of current management, 2 expanded working forest conservation easements, and 3 cooperative ecological forestry. Scenarios were modeled under current climate with contemporary probabilities of natural disturbance and under increased probability of windthrow and wildfire that may result from climate change in this region. All scenarios were modeled for 100 years using the VDDT/TELSA modeling suite. Results showed that landscape composition and configuration were relatively similar among scenarios, and that management had a stronger effect than increased probability of windthrow and wildfire. These findings suggest that the scale of the landscape analysis used here and the lack of differences in predominant management strategies between ownerships in this region play significant roles in scenario outcomes. The approach used here does not rely on complex mechanistic modeling of uncertain dynamics and can therefore be used as starting point for planning and further analysis.

  14. Achieving Energy Efficient Ship Operations Under Third Party Management

    DEFF Research Database (Denmark)

    Taudal Poulsen, René; Sornn-Friese, Henrik

    2015-01-01

    Profitable energy saving measures are often not fully implemented in shipping, causing energy efficiency gaps. The paper identifies energy efficiency gaps in ship operations, and explores their causes. Lack of information on energy efficiency, lack of energy training at sea and onshore and lack...... of time to produce and provide reliable energy efficiency information cause energy efficiency gaps. The paper brings together the energy efficiency and ship management literatures, demonstrating how ship management models influence energy efficiency in ship operations. Achieving energy efficiency in ship...

  15. [Developmental instability of the organism as a result of pessimization of environment under anthropogenic transformation of natural landscapes].

    Science.gov (United States)

    Shadrina, E G; Vol'pert, Ia L

    2014-01-01

    The value of fluctuating asymmetry is considered to be an indicator of the developmental instability of the organism. The consequences of activities of the mining industry plants, which are characterized by alienation and transformation of large areas of natural landscapes, are analyzed as an anthropogenic factor. The objects of study were small mammals (northern red-backed (Clethrionomys rutilus) and gray red-backed (Clethrionomys rufocanus) voles, tundra vole (Microtus oeconomus), Laxmann's (Sorex caecutiens) and tundra (S. tundrensis) shrews) and trees (Japanese white birch (Betula platyphylla), Betula divaricate, Betula exilis, Duschekiafruticosa, and common osier (Salix viminalis)). In total, 3500 skulls and approximately 30000 leaves collected in the taiga zone of Yakutia were studied. The index offluctuating asymmetry, as well as population parameters and composition of small mammal communities, were analyzed. The data on the value of the fluctuating asymmetry in the studied species in natural habitats are given. It is shown that, in natural conditions, this parameter can rise with deterioration in living conditions, particularly at the ecological periphery of the range. Anthropogenic transformation of natural landscapes creates an "anthropogenic periphery" and causes changes similar to the adaptive responses at the northern limit of the distribution of species. It was found that, through pollution and disruption of ecosystems, the mining industry affects all levels of organization of the living matter, but the population and cenotic parameters give an unambiguous response only at macroanthropogenic transformations. Increase in the level of fluctuating asymmetry is the most sensitive indicator of anthropogenic impact and it should also be taken into account that disruptions in the developmental stability of an organism reflect the destructive processes occurring in the population and community.

  16. Testing and evaluation of different energy storage devices for piezoelectric energy harvesting under road conditions

    Science.gov (United States)

    Gopalakrishnan, Pratheek

    The increasing needs in green technology have propelled the rapid development in energy conversion and the advancement of electric energy storage systems. A viable storage technology is needed to store intermittent electrical energy in different electronic applications. In this thesis, recent progress on the chemistry and design of batteries is summarized with their challenges and improvements. Along with that, electrolytic capacitors are also reviewed with their types, advantages and disadvantages of each in short. Super capacitors having higher surface area and thinner dielectrics than conventional capacitors along with hybrid capacitors, are discussed in detail. The potential of a hybrid capacitor, Ni(OH)2/ Active Carbon, compared with Ni-Cd batteries and electrolytic capacitors in the application of energy storage for high way energy harvesting has been explored in this work. Both the battery and the hybrid capacitor has been tested under various experimental conditions and their properties in relation to their chemical compositions are compared. The results obtained from the experiments have been analyzed and the most suitable energy storage devices have been selected with their application potential evaluated before drawing conclusion reported in this thesis.

  17. Landscape Ecology

    DEFF Research Database (Denmark)

    Christensen, Andreas Aagaard; Brandt, Jesper; Svenningsen, Stig Roar

    2017-01-01

    , and the ecological significance of the patterns which are generated by such processes. In landscape ecology, perspectives drawn from existing academic disciplines are integrated based on a common, spatially explicit mode of analysis developed from classical holistic geography, emphasizing spatial and landscape...... to translate positivist readings of the environment and hermeneutical perspectives on socioecological interaction into a common framework or terminology....

  18. Planetary Landscape Geography

    Science.gov (United States)

    Hargitai, H.

    INTRODUCTION Landscape is one of the most often used category in physical ge- ography. The term "landshap" was introduced by Dutch painters in the 15-16th cen- tury. [1] The elements that build up a landscape (or environment) on Earth consists of natural (biogenic and abiogenic - lithologic, atmospheric, hydrologic) and artificial (antropogenic) factors. Landscape is a complex system of these different elements. The same lithology makes different landscapes under different climatic conditions. If the same conditions are present, the same landscape type will appear. Landscapes build up a hierarchic system and cover the whole surface. On Earth, landscapes can be classified and qualified according to their characteristics: relief forms (morphology), and its potential economic value. Aesthetic and subjective parameters can also be considered. Using the data from landers and data from orbiters we can now classify planetary landscapes (these can be used as geologic mapping units as well). By looking at a unknown landscape, we can determine the processes that created it and its development history. This was the case in the Pathfinder/Sojourner panoramas. [2]. DISCUSSION Planetary landscape evolution. We can draw a raw landscape develop- ment history by adding the different landscape building elements to each other. This has a strong connection with the planet's thermal evolution (age of the planet or the present surface materials) and with orbital parameters (distance from the central star, orbit excentricity etc). This way we can build a complex system in which we use differ- ent evolutional stages of lithologic, atmospheric, hydrologic and biogenic conditions which determine the given - Solar System or exoplanetary - landscape. Landscape elements. "Simple" landscapes can be found on asteroids: no linear horizon is present (not differentiated body, only impact structures), no atmosphere (therefore no atmospheric scattering - black sky as part of the landscape) and no

  19. Optimal Time to Invest Energy Storage System under Uncertainty Conditions

    Directory of Open Access Journals (Sweden)

    Yongma Moon

    2014-04-01

    Full Text Available This paper proposes a model to determine the optimal investment time for energy storage systems (ESSs in a price arbitrage trade application under conditions of uncertainty over future profits. The adoption of ESSs can generate profits from price arbitrage trade, which are uncertain because the future marginal prices of electricity will change depending on supply and demand. In addition, since the investment is optional, an investor can delay adopting an ESS until it becomes profitable, and can decide the optimal time. Thus, when we evaluate this investment, we need to incorporate the investor’s option which is not captured by traditional evaluation methods. In order to incorporate these aspects, we applied real option theory to our proposed model, which provides an optimal investment threshold. Our results concerning the optimal time to invest show that if future profits that are expected to be obtained from arbitrage trade become more uncertain, an investor needs to wait longer to invest. Also, improvement in efficiency of ESSs can reduce the uncertainty of arbitrage profit and, consequently, the reduced uncertainty enables earlier ESS investment, even for the same power capacity. Besides, when a higher rate of profits is expected and ESS costs are higher, an investor needs to wait longer. Also, by comparing a widely used net present value model to our real option model, we show that the net present value method underestimates the value for ESS investment and misleads the investor to make an investment earlier.

  20. Nonlinear modeling of magnetorheological energy absorbers under impact conditions

    Science.gov (United States)

    Mao, Min; Hu, Wei; Choi, Young-Tai; Wereley, Norman M.; Browne, Alan L.; Ulicny, John; Johnson, Nancy

    2013-11-01

    Magnetorheological energy absorbers (MREAs) provide adaptive vibration and shock mitigation capabilities to accommodate varying payloads, vibration spectra, and shock pulses, as well as other environmental factors. A key performance metric is the dynamic range, which is defined as the ratio of the force at maximum field to the force in the absence of field. The off-state force is typically assumed to increase linearly with speed, but at the higher shaft speeds occurring in impact events, the off-state damping exhibits nonlinear velocity squared damping effects. To improve understanding of MREA behavior under high-speed impact conditions, this study focuses on nonlinear MREA models that can more accurately predict MREA dynamic behavior for nominal impact speeds of up to 6 m s-1. Three models were examined in this study. First, a nonlinear Bingham-plastic (BP) model incorporating Darcy friction and fluid inertia (Unsteady-BP) was formulated where the force is proportional to the velocity. Second, a Bingham-plastic model incorporating minor loss factors and fluid inertia (Unsteady-BPM) to better account for high-speed behavior was formulated. Third, a hydromechanical (HM) analysis was developed to account for fluid compressibility and inertia as well as minor loss factors. These models were validated using drop test data obtained using the drop tower facility at GM R&D Center for nominal drop speeds of up to 6 m s-1.

  1. Nonlinear modeling of magnetorheological energy absorbers under impact conditions

    International Nuclear Information System (INIS)

    Mao, Min; Hu, Wei; Choi, Young-Tai; Wereley, Norman M; Browne, Alan L; Ulicny, John; Johnson, Nancy

    2013-01-01

    Magnetorheological energy absorbers (MREAs) provide adaptive vibration and shock mitigation capabilities to accommodate varying payloads, vibration spectra, and shock pulses, as well as other environmental factors. A key performance metric is the dynamic range, which is defined as the ratio of the force at maximum field to the force in the absence of field. The off-state force is typically assumed to increase linearly with speed, but at the higher shaft speeds occurring in impact events, the off-state damping exhibits nonlinear velocity squared damping effects. To improve understanding of MREA behavior under high-speed impact conditions, this study focuses on nonlinear MREA models that can more accurately predict MREA dynamic behavior for nominal impact speeds of up to 6 m s −1 . Three models were examined in this study. First, a nonlinear Bingham-plastic (BP) model incorporating Darcy friction and fluid inertia (Unsteady-BP) was formulated where the force is proportional to the velocity. Second, a Bingham-plastic model incorporating minor loss factors and fluid inertia (Unsteady-BPM) to better account for high-speed behavior was formulated. Third, a hydromechanical (HM) analysis was developed to account for fluid compressibility and inertia as well as minor loss factors. These models were validated using drop test data obtained using the drop tower facility at GM R and D Center for nominal drop speeds of up to 6 m s −1 . (paper)

  2. Land-Sparing Opportunities for Solar Energy Development in Agricultural Landscapes: A Case Study of the Great Central Valley, CA, United States.

    Science.gov (United States)

    Hoffacker, Madison K; Allen, Michael F; Hernandez, Rebecca R

    2017-12-19

    Land-cover change from energy development, including solar energy, presents trade-offs for land used for the production of food and the conservation of ecosystems. Solar energy plays a critical role in contributing to the alternative energy mix to mitigate climate change and meet policy milestones; however, the extent that solar energy development on nonconventional surfaces can mitigate land scarcity is understudied. Here, we evaluate the land sparing potential of solar energy development across four nonconventional land-cover types: the built environment, salt-affected land, contaminated land, and water reservoirs (as floatovoltaics), within the Great Central Valley (CV, CA), a globally significant agricultural region where land for food production, urban development, and conservation collide. Furthermore, we calculate the technical potential (TWh year -1 ) of these land sparing sites and test the degree to which projected electricity needs for the state of California can be met therein. In total, the CV encompasses 15% of CA, 8415 km 2 of which was identified as potentially land-sparing for solar energy development. These areas comprise a capacity-based energy potential of at least 17 348 TWh year -1 for photovoltaic (PV) and 2213 TWh year -1 for concentrating solar power (CSP). Accounting for technology efficiencies, this exceeds California's 2025 projected electricity demands up to 13 and 2 times for PV and CSP, respectively. Our study underscores the potential of strategic renewable energy siting to mitigate environmental trade-offs typically coupled with energy sprawl in agricultural landscapes.

  3. 78 FR 43974 - Energy and Water Use Labeling for Consumer Products Under the Energy Policy and Conservation Act...

    Science.gov (United States)

    2013-07-23

    ... FEDERAL TRADE COMMISSION 16 CFR Part 305 [3084-AB15] Energy and Water Use Labeling for Consumer Products Under the Energy Policy and Conservation Act (Energy Labeling Rule) AGENCY: Federal Trade...'') in 1979,\\1\\ pursuant to the Energy Policy and Conservation Act of 1975 (EPCA).\\2\\ The Rule requires...

  4. RAAAF's office landscape The End of Sitting : Energy expenditure and temporary comfort when working in non-sitting postures

    NARCIS (Netherlands)

    Caljouw, Simone R.; de Vries, Rutger; Withagen, Rob

    2017-01-01

    An earlier study suggested that the activity-inviting office landscape called "The End of Sitting", designed by Rietveld Architecture Art Affordances (RAAAF), should be considered as an alternative working environment to prevent sedentary behavior. The End of Sitting lacks chairs and tables but

  5. Shared Solar: Current Landscape, Market Potential, and the Impact of Federal Securities Regulation; NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2015-05-27

    This presentation provides a high-level overview of the current U.S. shared solar landscape, the impact that a given shared solar program's structure has on requiring federal securities oversight, as well as an estimate of market potential for U.S. shared solar deployment.

  6. Energy efficient appliance choice under the EU labeling scheme

    Energy Technology Data Exchange (ETDEWEB)

    Mills, Bradford F.; Schleich, Joachim [Fraunhofer-Institut fuer System- und Innovationsforschung (ISI), Karlsruhe (Germany)

    2010-02-15

    This paper extends the existing empirical literature on consumers' choices when exposed to energy labeling schemes by allowing choices to depend on household socio-economic characteristics, technology-related factors, behavioral and motivational factors, and country conditions in a multi-country analysis. To account for a possible knowledge-based selection bias, the econometric model distinguishes label class knowledge from the energy class choice decision. As a general finding, most covariates show stronger relationships with knowledge of labeling class than with the choice of energy efficiency class. Four factors show particularly strong and expected influences on label class awareness. First, general awareness of household energy use and energy saving technologies spills over into awareness of the energy class of specific appliances. Second, socioeconomic characteristics mater, as education increases label class awareness and older age reduces awareness. Third, economic incentives matter, as stated economic importance of energy saving and higher country electricity prices both generate greater label awareness. By contrast, stated concerns about global warming do not appear to have a broad impact on awareness. Fourth, effective country implementation of the labeling scheme raises label awareness. More surprisingly, most factors that promote awareness of appliance energy classes have a limited influence on actual appliance energy class choice. Efficient energy behavior in the household is not strongly linked to appliance energy class choice. Socio-economic characteristics also have limited influence. This finding is inline with other studies that find that household socio-economic characteristics have relatively weak associations with the adoption of energy efficient technologies (Mills and Schleich 2010, Brohmann et al. 2009). In fact, with education it is vocational degrees rather than university degrees that are positively associated with the propensity to

  7. The global mean energy balance under cloud-free conditions

    Science.gov (United States)

    Wild, Martin; Hakuba, Maria; Folini, Dois; Ott, Patricia; Long, Charles

    2017-04-01

    A long standing problem of climate models is their overestimation of surface solar radiation not only under all-sky, but also under clear-sky conditions (Wild et al. 1995, Wild et al. 2006). This overestimation reduced over time in consecutive model generations due to the simulation of stronger atmospheric absorption. Here we analyze the clear sky fluxes of the latest climate model generation from the Coupled Model Intercomparison Project Phase 5 (CMIP5) against an expanded and updated set of direct observations from the Baseline Surface Radiation Network (BSRN). Clear sky climatologies from these sites have been composed based on the Long and Ackermann (2000) clear sky detection algorithm (Hakuba et al. 2017), and sampling issues when comparing with model simulated clear sky fluxes have been analyzed in Ott (2017). Overall, the overestimation of clear sky insolation in the CMIP5 models is now merely 1-2 Wm-2 in the multimodel mean, compared to 4 Wm-2 in CMIP3 and 6 Wm-2 in AMIPII (Wild et al. 2006). Still a considerable spread in the individual model biases is apparent, ranging from -2 Wm-2 to 10 Wm-2 when averaged over 53 globally distributed BSRN sites. This bias structure is used to infer best estimates for present day global mean clear sky insolation, following an approach developped in Wild et al. (2013, 2015, Clim. Dyn.) for all sky fluxes. Thereby the flux biases in the various models are linearly related to their respective global means. A best estimate can then be inferred from the linear regression at the intersect where the bias against the surface observations becomes zero. This way we obtain a best estimate of 247 Wm-2 for the global mean insolation at the Earth surface under cloud free conditions, and a global mean absorbed solar radiation of 214 Wm-2 in the cloud-free atmosphere, assuming a global mean surface albedo of 13.5%. Combined with a best estimate for the net influx of solar radiation at the Top of Atmosphere under cloud free conditions

  8. Energy policy under the aspect of international economic interdependencies

    International Nuclear Information System (INIS)

    Michaelis, H.

    1978-01-01

    A few introductory remarks on the status of and on prospects fo the world energy economy as well as on reasons given for the necessity of a world-wide coordination of energy policy and economic policy are followed by an explanation of the policy led by oil extracting countries and of the endeavour of western industrialized countries to reduce oil imports. Even if the state of utilizing nuclear energy does not yet present a sufficient alternative, the international nuclear energy continues to be directed towards this goal. Seen from an international viewpoint, relieving contributions are to be expected from energy-conservation-actions and from the development of regenerative energy sources. (UA) [de

  9. Prospects for nuclear energy under a Reagan administration

    International Nuclear Information System (INIS)

    Doub, W.O.

    1981-01-01

    The press is told that media treatment of nuclear energy has been superficial and often irresponsible. The press is responsible for much of the public's apprehension, and should work in cooperation with the industry to present objective facts of nuclear energy economics and safety. The Reagan administration intends to reverse the impact of the Carter policies on the nuclear option by supporting commercial reprocessing and shifting the focus from conservation and renewable energy sources back to nuclear energy. New management structure and responsibilities will address the US decline as a world leader in nuclear energy and realign the country with its traditional trading partners. This will reverse the erosion of the Non-Proliferation Treaty and the authority of the International Energy Agency. Current economic problems could delay utility plant expansion without some steps toward deregulation

  10. Operations Optimization of Hybrid Energy Systems under Variable Markets

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jun; Garcia, Humberto E.

    2016-07-01

    Hybrid energy systems (HES) have been proposed to be an important element to enable increasing penetration of clean energy. This paper investigates the operations flexibility of HES, and develops a methodology for operations optimization to maximize its economic value based on predicted renewable generation and market information. The proposed operations optimizer allows systematic control of energy conversion for maximal economic value, and is illustrated by numerical results.

  11. Energy infrastructure in India: Profile and risks under climate change

    International Nuclear Information System (INIS)

    Garg, Amit; Naswa, Prakriti; Shukla, P.R.

    2015-01-01

    India has committed large investments to energy infrastructure assets-power plants, refineries, energy ports, pipelines, roads, railways, etc. The coastal infrastructure being developed to meet the rising energy imports is vulnerable to climate extremes. This paper provides an overview of climate risks to energy infrastructures in India and details two case studies – a crude oil importing port and a western coast railway transporting coal. The climate vulnerability of the port has been mapped using an index while that of the railway has been done through a damage function for RCP 4.5.0 and 8.5 scenarios. Our analysis shows that risk management through adaptation is likely to be very expensive. The system risks can be even greater and might adversely affect energy security and access objectives. Aligning sustainable development and climate adaptation measures can deliver substantial co-benefits. The key policy recommendations include: i) mandatory vulnerability assessment to future climate risks for energy infrastructures; ii) project and systemic risks in the vulnerability index; iii) adaptation funds for unmitigated climate risks; iv) continuous monitoring of climatic parameters and implementation of adaptation measures, and iv) sustainability actions along energy infrastructures that enhance climate resilience and simultaneously deliver co-benefits to local agents. -- Highlights: •Climate risks to energy infrastructures adversely impact energy security. •Case studies of a port and a railway show their future climate change vulnerability. •Managing climate-induced risks through preventive adaptation policies

  12. Industrious Landscaping

    DEFF Research Database (Denmark)

    Brichet, Nathalia Sofie; Hastrup, Frida

    2018-01-01

    This article has a twofold ambition. It offers a history of landscaping at Søby brown coal beds—a former mining site in western Denmark—and a methodological discussion of how to write such a study. Exploring this specific industrial landscape through a series of projects that have made different...... natural resources appear, we show that even what is recognized as resources shifts over time according to radically different and unpredictable agendas. This indicates that the Søby landscape is fundamentally volatile, as its resourcefulness has been seen interchangeably to shift between the brown coal...... business, inexpensive estates for practically savvy people, pasture for grazing, and recreational forest, among other things. We discuss these rifts in landscape history, motivated by what we refer to as industriousness, to show that, at sites such as Søby, both natural resources and historical...

  13. Electromagnetic Landscape

    DEFF Research Database (Denmark)

    Cermak, Daniel; Okutsu, Ayaka; Jørgensen, Stina Marie Hasse

    2015-01-01

    Daniel Cermak-Sassenrath, Ayaka Okutsu, Stina Hasse. Electromagnetic Landscape - In-between Signal, Noise and Environment. Installation and artist talk. 21th International Symposium on Electronic Art (ISEA) 2015, Vancouver, CAN, Aug 14-18, 2015.......Daniel Cermak-Sassenrath, Ayaka Okutsu, Stina Hasse. Electromagnetic Landscape - In-between Signal, Noise and Environment. Installation and artist talk. 21th International Symposium on Electronic Art (ISEA) 2015, Vancouver, CAN, Aug 14-18, 2015....

  14. Nordic Landscape

    DEFF Research Database (Denmark)

    Hjortshøj, Rasmus

    2017-01-01

    This Box Set NORDIC LANDSCAPE presents Nordic Territories, a project by Rasmus Hjortshøj, exploring the man-made landscapes of the coastal territories and the entanglement of society and nature in times where it is no longer merely mankind subjected to nature, but where nature is equally being...... territories is not only their transient nature, but also the warm currents of the Gulf Stream making these northern shorelines habitable for human settlements....

  15. Energy imbalance underlying the development of childhood obesity

    Science.gov (United States)

    The objective of this study was to develop a model based on empirical data and human energetics to predict the total energy cost of weight gain and obligatory increase in energy intake and/or decrease in physical activity level associated with weight gain in children and adolescents. One-year change...

  16. Algorithmic power management - Energy minimisation under real-time constraints

    NARCIS (Netherlands)

    Gerards, Marco Egbertus Theodorus

    2014-01-01

    Energy consumption is a major concern for designers of embedded devices. Especially for battery operated systems (like many embedded systems), the energy consumption limits the time for which a device can be active, and the amount of processing that can take place. In this thesis we study how the

  17. Algorithmic power management: energy minimisation under real-time constraints

    NARCIS (Netherlands)

    Gerards, Marco Egbertus Theodorus

    2014-01-01

    Energy consumption is a major concern for designers of embedded devices. Especially for battery operated systems (like many embedded systems), the energy consumption limits the time for which a device can be active, and the amount of processing that can take place. In this thesis we study how the

  18. Energy imbalance underlying the development of childhood obesity

    DEFF Research Database (Denmark)

    Butte, Nancy F; Christiansen, Edmund; Sørensen, Thorkild I A

    2007-01-01

    : One-year changes in weight and body composition and basal metabolic rate (BMR) were measured in 488 Hispanic children and adolescents. Fat-free mass (FFM) and fat mass (FM) were measured by DXA and BMR by calorimetry. Model specifications include the following: body mass (BM) = FFM + FM, each...... with a specific energy content, cff (1.07 kcal/g FFM) and cf (9.25 kcal/g FM), basal energy expenditure (EE), kff and kf, and energetic conversion efficiency, eff (0.42) for FFM and ef (0.85) for FM. Total energy cost of weight gain is equal to the sum of energy storage, EE associated with increased BM......, conversion energy (CE), and diet-induced EE (DIEE). RESULTS: Sex- and Tanner stage-specific values are indicated for the basal EE of FFM (kff) and the fat fraction in added tissue (fr). Total energy cost of weight gain is partitioned into energy storage (24% to 36%), increase in EE (40% to 57%), CE (8% to 13...

  19. Future bio-energy potential under various natural constraints

    International Nuclear Information System (INIS)

    Vuuren, Detlef P. van; Vliet, Jasper van; Stehfest, Elke

    2009-01-01

    Potentials for bio-energy have been estimated earlier on the basis of estimates of potentially available land, excluding certain types of land use or land cover (land required for food production and forests). In this paper, we explore how such estimates may be influenced by other factors such as land degradation, water scarcity and biodiversity concerns. Our analysis indicates that of the original bio-energy potential estimate of 150, 80 EJ occurs in areas classified as from mild to severe land degradation, water stress, or with high biodiversity value. Yield estimates were also found to have a significant impact on potential estimates. A further 12.5% increase in global yields would lead to an increase in bio-energy potential of about 50%. Changes in bio-energy potential are shown to have a direct impact on bio-energy use in the energy model TIMER, although the relevant factor is the bio-energy potential at different cost levels and not the overall potential.

  20. Renewable energy sources project appraisal under uncertainty: the case of wind energy exploitation within a changing energy market environment

    International Nuclear Information System (INIS)

    Venetsanos, K.; Angelopoulou, P.; Tsoutsos, T.

    2002-01-01

    There are four elements, which contribute to the oncoming increase of electricity demand: climate changes, the expected growth rates of EU Member State economies, changes in the consumption patterns and the introduction of new technologies. The new deregulated Electricity Market is expected to respond to this challenge and the energy supply will be adequate and cost effective within this new environment which offers promising opportunities for power producers both existing and newcomers. In this paper a framework for the appraisal of power projects under uncertainty within a competitive market environment is identified, focusing on the electricity from Renewable Energy Sources. To this end the wind energy-to-electricity, production in Greece will serve as a case study. The subject matter is centred on the following areas: the uncertainties within the new deregulated energy market; the evaluation methods including an analysis of the introduced uncertainties after deregulation and a new approach to project evaluation using the real options, as well as comparison of the valuation methodologies within the new environment drawing from the case for Greece. (author)

  1. Analysis on Japan's long-term energy outlook considering massive deployment of variable renewable energy under nuclear energy scenario

    International Nuclear Information System (INIS)

    Komiyama, Ryoichi; Fujii, Yasumasa

    2012-01-01

    This paper investigates Japan's long-term energy outlook to 2050 considering massive deployment of solar photovoltaic (PV) system and wind power generation under nuclear energy scenario. The extensive introduction of PV system and wind power system are expected to play an important role in enhancing electricity supply security after Fukushima Nuclear Power Accident which has increased the uncertainty of future additional construction of nuclear power plant in Japan. On these backgrounds, we develop integrated energy assessment model comprised of both econometric energy demand and supply model and optimal power generation mix model. The latter model is able to explicitly analyze the impact of output fluctuation in variable renewable in detailed time resolution at 10 minutes on consecutive 365 days, incorporating the role of stationary battery technology. Simulation results reveal that intermittent fluctuation derived from high penetration level of those renewables is controlled by quick load following operation by natural gas combined cycle power plant, pumped-storage hydro power, stationary battery technology and the output suppression of PV and wind power. The results show as well that massive penetration of the renewables does not necessarily require the comparable scale of stationary battery capacity. Additionally, on the scenario which assumes the decommissioning of nuclear power plants which lifetime are over 40 years, required PV capacity in 2050 amounts to more than double of PV installment potential in both building and abandoned farmland area. (author)

  2. Energy pumping in electrical circuits under avalanche noise.

    Science.gov (United States)

    Kanazawa, Kiyoshi; Sagawa, Takahiro; Hayakawa, Hisao

    2014-07-01

    We theoretically study energy pumping processes in an electrical circuit with avalanche diodes, where non-Gaussian athermal noise plays a crucial role. We show that a positive amount of energy (work) can be extracted by an external manipulation of the circuit in a cyclic way, even when the system is spatially symmetric. We discuss the properties of the energy pumping process for both quasistatic and finite-time cases, and analytically obtain formulas for the amounts of the work and the power. Our results demonstrate the significance of the non-Gaussianity in energetics of electrical circuits.

  3. The mRNA and miRNA transcriptomic landscape of Panax ginseng under the high ambient temperature.

    Science.gov (United States)

    Jung, Inuk; Kang, Hyejin; Kim, Jang Uk; Chang, Hyeonsook; Kim, Sun; Jung, Woosuk

    2018-03-19

    Ginseng is a popular traditional herbal medicine in north-eastern Asia. It has been used for human health for over thousands of years. With the rise in global temperature, the production of Korean ginseng (Panax ginseng C.A.Meyer) in Korea have migrated from mid to northern parts of the Korean peninsula to escape from the various higher temperature related stresses. Under the high ambient temperature, vegetative growth was accelerated, which resulted in early flowering. This precocious phase change led to yield loss. Despite of its importance as a traditional medicine, biological mechanisms of ginseng has not been well studied and even the genome sequence of ginseng is yet to be determined due to its complex genome structure. Thus, it is challenging to investigate the molecular biology mechanisms at the transcript level. To investigate how ginseng responds to the high ambient temperature environment, we performed high throughput RNA sequencing and implemented a bioinformatics pipeline for the integrated analysis of small-RNA and mRNA-seq data without a reference genome. By performing reverse transcriptase (RT) PCR and sanger sequencing of transcripts that were assembled using our pipeline, we validated that their sequences were expressed in our samples. Furthermore, to investigate the interaction between genes and non-coding small RNAs and their regulation status under the high ambient temperature, we identified potential gene regulatory miRNAs. As a result, 100,672 contigs with significant expression level were identified and 6 known, 214 conserved and 60 potential novel miRNAs were predicted to be expressed under the high ambient temperature. Collectively, we have found that development, flowering and temperature responsive genes were induced under high ambient temperature, whereas photosynthesis related genes were repressed. Functional miRNAs were down-regulated under the high ambient temperature. Among them are miR156 and miR396 that target flowering (SPL6

  4. Harvesting Energy from Vibrations of the Underlying Structure

    DEFF Research Database (Denmark)

    Han, Bo; Vssilaras, S; Papadias, C.B.

    2013-01-01

    to the long-term structural health of a building or bridge, but at the same time they can be exploited as a power source to power the wireless sensors that are monitoring this structural health. This paper presents a new energy harvesting method based on a vibration driven electromagnetic harvester. By using......The use of wireless sensors for structural health monitoring offers several advantages such as small size, easy installation and minimal intervention on existing structures. However the most significant concern about such wireless sensors is the lifetime of the system, which depends heavily...... on the type of power supply. No matter how energy efficient the operation of a battery operated sensor is, the energy of the battery will be exhausted at some point. In order to achieve a virtually unlimited lifetime, the sensor node should be able to recharge its battery in an easy way. Energy harvesting...

  5. Multiple coupled landscapes and non-adiabatic dynamics with applications to self-activating genes.

    Science.gov (United States)

    Chen, Cong; Zhang, Kun; Feng, Haidong; Sasai, Masaki; Wang, Jin

    2015-11-21

    Many physical, chemical and biochemical systems (e.g. electronic dynamics and gene regulatory networks) are governed by continuous stochastic processes (e.g. electron dynamics on a particular electronic energy surface and protein (gene product) synthesis) coupled with discrete processes (e.g. hopping among different electronic energy surfaces and on and off switching of genes). One can also think of the underlying dynamics as the continuous motion on a particular landscape and discrete hoppings among different landscapes. The main difference of such systems from the intra-landscape dynamics alone is the emergence of the timescale involved in transitions among different landscapes in addition to the timescale involved in a particular landscape. The adiabatic limit when inter-landscape hoppings are fast compared to continuous intra-landscape dynamics has been studied both analytically and numerically, but the analytical treatment of the non-adiabatic regime where the inter-landscape hoppings are slow or comparable to continuous intra-landscape dynamics remains challenging. In this study, we show that there exists mathematical mapping of the dynamics on 2(N) discretely coupled N continuous dimensional landscapes onto one single landscape in 2N dimensional extended continuous space. On this 2N dimensional landscape, eddy current emerges as a sign of non-equilibrium non-adiabatic dynamics and plays an important role in system evolution. Many interesting physical effects such as the enhancement of fluctuations, irreversibility, dissipation and optimal kinetics emerge due to non-adiabaticity manifested by the eddy current illustrated for an N = 1 self-activator. We further generalize our theory to the N-gene network with multiple binding sites and multiple synthesis rates for discretely coupled non-equilibrium stochastic physical and biological systems.

  6. Changing Landscapes, Changing Landscape's Story

    Czech Academy of Sciences Publication Activity Database

    Lapka, Miloslav; Cudlínová, Eva

    2003-01-01

    Roč. 28, č. 3 (2003), s. 323-328 ISSN 0142-6397. [Symposium on Sustainable Landscapes in an Enlarged Europe. Nové Hrady, 12.09.2001-14.09.2001] R&D Projects: GA MŠk ME 530 Grant - others:GA-(XE) QLK5-CT-2000-01211-SPRITE Institutional research plan: CEZ:AV0Z5039906 Keywords : Landscape stability * narrative approach * socio-economic typology Subject RIV: DO - Wilderness Conservation

  7. Empowered? Evaluating Japan's national energy strategy under the DPJ administration

    International Nuclear Information System (INIS)

    Valentine, Scott; Sovacool, Benjamin K.; Matsuura, Masahiro

    2011-01-01

    In August 2009, after 54 years of virtually unbroken rule, Japan's Liberal Democratic Party (LDP) was ousted from power by the Democratic Party of Japan (DPJ). The DPJ's campaign platform included a pledge to facilitate extreme reductions in greenhouse gas (GHG) emissions. Yet, at the COP16 meeting in Cancun, Japan announced that it would not accept further emission reduction targets without broader commitment from all nations. This paper seeks to explain this dichotomy by employing a targeted stakeholder evaluation based on surveys with 321 Japanese citizens to assess the extent to which influential stakeholder groups in Japan supports a potentially costly transition to a low-carbon energy infrastructure amidst severe economic challenges that the nation faces. Findings help explain Japan's adversarial role in COP16 negotiations in Cancun, despite the stated GHG reduction ambitions of Japan's current ruling party. The analysis concludes that if the DPJ does embrace aggressive CO 2 reduction targets in the future, the strategic focus will likely mirror the former ruling party's energy policy of bolstering nuclear power generation capacity and promoting energy efficiency improvements while exhibiting lukewarm commitment to supporting capacity development in alternative sources of energy supply such as solar panels and wind turbines. - Research highlights: → Public consensus exists regarding which energy policy goals are important in Japan. → Minor perceptual differences are not of a catalytic nature. → Public consensus does not deviate significantly from past LDP energy policy. → Unlikely that the DPJ will pursue costly energy transition initiatives. → Likely that the DPJ energy strategy will be substantively similar to LDP strategy. → Any differences in strategy will focus on CO 2 reduction magnitude not substance.

  8. Energy security of supply under EU climate policies

    International Nuclear Information System (INIS)

    Groenenberg, H.; Wetzelaer, B.J.H.W.

    2006-12-01

    The implications of various climate policies for the security of supply in the EU-25 were investigated. The security of supply was quantified using the Supply/Demand (S/D) Index. This index aggregates quantitative information on a country's energy system into one single figure. It takes a value between 0 and 100, with higher values indicating a more secure energy system. The S/D Index was calculated for the year 2020 based on the information in a series of policy scenarios, including a baseline (S/D Index 50.7), an energy efficiency scenario (53.8), two renewable energy scenarios (52.6 and 53.3) and two scenarios with combined policies (55.9 and 55.6).The S/D Index proved a useful indicator for assessing the implications of climate policies for the security of supply. As climate policies become more stringent, CO2 index fall, and the S/D index increases. The magnitude of the changes in the two indices is not always similar however. Major falls in CO2 indices in the order of 20% for two scenarios with combined energy efficiency and renewable energy polices lead to less noteworthy improvements in the associated S/D indices. Nevertheless, this combination of policies leads to the greatest improvements in the security of supply

  9. Evaluating investments in renewable energy under policy risks

    International Nuclear Information System (INIS)

    Gatzert, Nadine; Vogl, Nikolai

    2016-01-01

    The considerable amount of required infrastructure and renewable energy investments expected in the forthcoming years also implies an increasingly relevant contribution of private and institutional investors. In this context, especially regulatory and policy risks have been shown to play a major role for investors when evaluating investments in renewable energy and should thus also be taken into account in risk assessment and when deriving risk-return profiles. In this paper, we provide a stochastic model framework to quantify policy risks associated with renewable energy investments (e.g. a retrospective reduction of a feed-in tariff), thereby also taking into account energy price risk, resource risk, and inflation risk. The model is illustrated by means of simulations and scenario analyses, and it makes use of expert estimates and fuzzy set theory for quantifying policy risks. Our numerical results for a portfolio of onshore wind farms in Germany and France show that policy risk can strongly impact risk-return profiles, and that cross-country diversification effects can considerably decrease the overall risk for investors. - Highlights: •Quantification of policy risks associated with renewable energy investments. •Results emphasize that policy risk has a major impact on risk and return. •Study of the cross-country diversification potential. •Cross-country diversification can considerably decrease the risk for an investor.

  10. Landscape-and regional-scale shifts in forest composition under climate change in the Central Hardwood Region of the United States

    Science.gov (United States)

    Wen J. Wang; Hong S. He; Frank R. Thompson; Jacob S. Fraser; William D. Dijak

    2016-01-01

    Tree species distribution and abundance are affected by forces operating at multiple scales. Niche and biophysical process models have been commonly used to predict climate change effects at regional scales, however, these models have limited capability to include site-scale population dynamics and landscape- scale disturbance and dispersal. We applied a landscape...

  11. Energy infrastructure in India: Profile and risks under climate change

    DEFF Research Database (Denmark)

    Garg, Amit; Naswa, Prakriti; Shukla, P.R.

    2015-01-01

    risks to energy infrastructures in India and details two case studies - a crude oil importing port and a western coast railway transporting coal. The climate vulnerability of the port has been mapped using an index while that of the railway has been done through a damage function for RCP 4.5.0 and 8.......5 scenarios. Our analysis shows that risk management through adaptation is likely to be very expensive. The system risks can be even greater and might adversely affect energy security and access objectives. Aligning sustainable development and climate adaptation measures can deliver substantial co......-benefits. The key policy recommendations include: i) mandatory vulnerability assessment to future climate risks for energy infrastructures; ii) project and systemic risks in the vulnerability index; iii) adaptation funds for unmitigated climate risks; iv) continuous monitoring of climatic parameters...

  12. Energy behavior of solar hot water systems under different conditions

    International Nuclear Information System (INIS)

    Fuentes Lombá, Osmanys; Torres Ten, Alonso; Arzuaga Machado, Yusnel; Hernández, Massipe J. Raúl; Cueva Gonzales, Wagner

    2017-01-01

    By means of numerical simulations in TRNSYS v14 the influence of the solar absorption area of a system for heating water with solar energy, composed by a flat solar collector and a tank thermo-accumulator, on its energy efficiency. For the study, the solar collectors EDWARDS, ISOFOTÓN 1, ISOFOTÓN 2, MADE, ROLDAN and IBERSOLAR of absorption area 2, 1,9, 1,88, 2, 1,9 and 2,3 m2 respectively were chosen. For each collector, the energy performance was simulated for one year, setting 200 L for the accumulation volume and 50 °C for the intake temperature. Despite the different characteristics of each collector, their behavior is quite similar showing a very mature technology. (author)

  13. Characteristic losses of electrons energy under reflection from leadsilicate glasses

    International Nuclear Information System (INIS)

    Gusarov, A.I.; Mashkov, V.A.; Pronin, V.P.; Tyutikov, A.M.

    1986-01-01

    The spectra of characteristic losses of energy (CLE) for the case of electron reflection from the surface of leadsilicate glasses of the composition xPbOx(1-x)SiO 2 , depending on molar concentration of lead oxide x, has been calculated for the first time. It is shown that the given model of glass energy structure permits to describe correctly general behaviour of CLE spectrum. However, the energy of plasma maximum measured experimentally remains approximately constant. The behaviour can be conditioned by ω 0 dependence on x[4], which has not been taken into account, and (or) by a slower change in ΔE, than it has been assumed. Further refining of theory and experiment is required to solve the problem

  14. Optimisation of fuel stocks under liberalisation of energy market

    International Nuclear Information System (INIS)

    Shipkovs, P.; Sitenko, L.; Kashkarova, G.

    2001-01-01

    The paper discusses the influence of regional fuel stocks on the reliability of the energy sector's activities in a given region. The authors give classification of stocks by their purpose and describe their role in avoiding energy shortage situations. The fuel deficiency at a regional fuel market is shown in connection with the resulting loss for the national economy. The authors employ imitative modelling for investigation of fuel supply schemes acting in Latvia. They estimate possible expenses on the maintenance of fuels - such as gas, residual oil, and coal - for different variants of fuel delivery. (author)

  15. Optimisation of trawl energy efficiency under fishing effort constraint

    OpenAIRE

    Priour, Daniel; Khaled, Ramez

    2009-01-01

    Trawls energy efficiency is greatly affected by the drag, as well as by the swept area. The drag results in an increase of the energy consumption and the sweeping influences the catch. Methods of optimisation of the trawl design have been developed in order to reduce the volume of carburant per kg of caught fish and consequently the drag per swept area of the trawl. Based on a finite element method model for flexible netting structures, the tool modifies step by step a reference design. For e...

  16. A stochastic multi-agent optimization model for energy infrastructure planning under uncertainty and competition.

    Science.gov (United States)

    2017-07-04

    This paper presents a stochastic multi-agent optimization model that supports energy infrastruc- : ture planning under uncertainty. The interdependence between dierent decision entities in the : system is captured in an energy supply chain network, w...

  17. The Value of Landscape Essence

    Directory of Open Access Journals (Sweden)

    Maria da Conceição Marques Freire

    2014-08-01

    Full Text Available A new approach to interpreting the landscape is examined by accepting its complexity through inductive reasoning. While attempting to identify the essence of the landscape in the city and municipality of Óbidos, Portugal, several architectural recommendations of Venturi (2004 have been adapted as a framework for understanding this landscape. These will then guide the process of landscape transformation through:•••using the concepts of closed and contained spaces and the concept of fluid space;•recognising the existence of interstitial open spaces;•using those elements which are common to the distinct typologies of space;•defining the components that should be respected and those that can be respected;•observing landscape as a whole , while emphasising the relationship between the parts and the whole; and•rejecting simplification in the landscape transformation process.valuing the ambiguity incorporating the complexity Underlying this approach is the belief that the process of transformation must be based on the essence of each landscape. This implies the use of elements and structures of the landscape which are related to ecological, morphological and cultural systems. These elements and structures represent points of reference which should be considered in the process of landscape transformation.

  18. Equilibrium Transitions from Non Renewable Energy to Renewable Energy under Capacity Constraints

    OpenAIRE

    Amigues, Jean-Pierre; Ayong Le Kama, Alain; Moreaux, Michel

    2013-01-01

    We study the transition between non-renewable and renewable energy sources with adjustment costs over the production capacity of renewable energy. Assuming constant variable marginal costs for both energy sources, convex adjustment costs and a more expensive renewable energy, we show the following. With sufficiently abundant non-renewable energy endowments, the dynamic equilibrium path is composed of a first time phase of only non-renewable energy use followed by a transition phase substituti...

  19. Elastic layer under axisymmetric indentation and surface energy effects

    Science.gov (United States)

    Intarit, Pong-in; Senjuntichai, Teerapong; Rungamornrat, Jaroon

    2018-04-01

    In this paper, a continuum-based approach is adopted to investigate the contact problem of an elastic layer with finite thickness and rigid base subjected to axisymmetric indentation with the consideration of surface energy effects. A complete Gurtin-Murdoch surface elasticity is employed to consider the influence of surface stresses. The indentation problem of a rigid frictionless punch with arbitrary axisymmetric profiles is formulated by employing the displacement Green's functions, derived with the aid of Hankel integral transform technique. The problem is solved by assuming the contact pressure distribution in terms of a linear combination of admissible functions and undetermined coefficients. Those coefficients are then obtained by employing a collocation technique and an efficient numerical quadrature scheme. The accuracy of proposed solution technique is verified by comparing with existing solutions for rigid indentation on an elastic half-space. Selected numerical results for the indenters with flat-ended cylindrical and paraboloidal punch profiles are presented to portray the influence of surface energy effects on elastic fields of the finite layer. It is found that the presence of surface stresses renders the layer stiffer, and the size-dependent behavior of elastic fields is observed in the present solutions. In addition, the surface energy effects become more pronounced with smaller contact area; thus, the influence of surface energy cannot be ignored in the analysis of indentation problem especially when the indenter size is very small such as in the case of nanoindentation.

  20. US energy policy under president Clinton. An outlook

    International Nuclear Information System (INIS)

    McCracken, J.E.

    1993-01-01

    During the election, Bill Clinton did speak of four guiding principles that would be behind his energy policy. And they are: increased energy efficiency and conservation, the expanded use of renewable energy sources, the greater use of natural gas, and the establishment of a safe, environmentally-sound energy framework. It is important to remember that President Clinton holds views on nuclear power that are firmly in the mainstream of current American public opinion. The President does not see the need to close down existing plants. There is no talk of a nuclear phase-out in the United States. On the other hand, contrary to past administrations, there will not be a promotion of nuclear power, primarily for two reasons: 1. There is the belief that they are not economically competitive at this time, 2. There is the vaguer notion that people do not want them right now. So, in the short term, nuclear power increasingly will be left to the market place. So ultimately, the fate of nuclear power in the United States will not be determined by the political ideology of the White House's inhabitant, but by the economic competitiveness of the industry. (orig./HSCH)

  1. Metal azides under pressure: An emerging class of high energy ...

    Indian Academy of Sciences (India)

    Advanced Centre of Research in High Energy Materials (ACRHEM), University of ... behaviour of LiN3 and KN3 by means of density functional calculations. ... and 4.08 eV (KN3) and as pressure increases the band gap decreases and show ...

  2. Minimum Energy Dissipation under Cocurrent Flow in Packed Beds

    Czech Academy of Sciences Publication Activity Database

    Akramov, T.A.; Stavárek, Petr; Jiřičný, Vladimír; Staněk, Vladimír

    2011-01-01

    Roč. 50, č. 18 (2011), s. 10824-10832 ISSN 0888-5885 R&D Projects: GA ČR GA104/09/0880 Institutional research plan: CEZ:AV0Z40720504 Keywords : energy dissipation * current flow * packed bed Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.237, year: 2011

  3. The Energy Under Our Feet: A Study of Solar Radiation

    Science.gov (United States)

    Weiss, I.

    2016-12-01

    In this experiment I tested if asphalt pavement can produce enough solar heat to produce energy through a system that uses water, solar energy and heat. A setup that can conserve the water and prevent it from evaporating, as well as measuring the energy production is required to run this experiment. I have done a lot of research on this experiment and found that there are several variables that impact the results of this experiment. 1. The surface temperature compared to the air temperature 2. The Geographical location of the pavement 3. The time of the year 4. Cloud coverage for the day Overall there will be many variables I will have to keep out of the experiment such as temperature ranges, season changes and geographical location. My constant will be my location at 33.7086o North and 117.9564o West. Asphalt pavements do not reflect the sunlight and hence heat up faster than a light surface that would reflect the sunlight. This means the Asphalt absorbs the solar radiation, which increases the temperature of the air around the asphalt contributing to what is known as the urban heat island effect. This heating in turn contributes to the formation of smog and ozone products. With the population still growing this would also mean an increase in this temperature and hence an increase in smog and ozone, creating a significant health concern. Cities need to start looking at ways to cool their pavement and find ways to harvest the energy created by their streets. Installing pipes with water can provide that solution and not only reduce the heat reflected from the pavement but also harvest energy from this setup, and decrease the smog production and maintain a balance in ozone levels. As well as the asphalt needed to run the testing, a Stirling engine is required. A Stirling Engine is a highly efficient engine that can run on a variety of heat sources. Because it is highly compatible with alternative energy and renewable energy sources it could become increasingly

  4. THE METHODOLOGY OF VALORISING AND ASSESSING LANDSCAPE

    Directory of Open Access Journals (Sweden)

    Stanisław Jacek Bacior

    2017-01-01

    Full Text Available Landscape evaluation process requires access to particular information resources making it possible to regionalize (divide into zones the area under investigation. Thus, the starting point is landscape assessment and evaluation followed by regionalization. As a result of this step, we determine certain areas that are homogenous with regards to their landscape assets Keywords: assessing landscape, structure of rural areas, spatial planning of rural areas.

  5. Interactions between Energy Efficiency Programs funded under the Recovery Act and Utility Customer-Funded Energy Efficiency Programs

    Energy Technology Data Exchange (ETDEWEB)

    Goldman, Charles A.; Stuart, Elizabeth; Hoffman, Ian; Fuller, Merrian C.; Billingsley, Megan A.

    2011-02-25

    Since the spring of 2009, billions of federal dollars have been allocated to state and local governments as grants for energy efficiency and renewable energy projects and programs. The scale of this American Reinvestment and Recovery Act (ARRA) funding, focused on 'shovel-ready' projects to create and retain jobs, is unprecedented. Thousands of newly funded players - cities, counties, states, and tribes - and thousands of programs and projects are entering the existing landscape of energy efficiency programs for the first time or expanding their reach. The nation's experience base with energy efficiency is growing enormously, fed by federal dollars and driven by broader objectives than saving energy alone. State and local officials made countless choices in developing portfolios of ARRA-funded energy efficiency programs and deciding how their programs would relate to existing efficiency programs funded by utility customers. Those choices are worth examining as bellwethers of a future world where there may be multiple program administrators and funding sources in many states. What are the opportunities and challenges of this new environment? What short- and long-term impacts will this large, infusion of funds have on utility customer-funded programs; for example, on infrastructure for delivering energy efficiency services or on customer willingness to invest in energy efficiency? To what extent has the attribution of energy savings been a critical issue, especially where administrators of utility customer-funded energy efficiency programs have performance or shareholder incentives? Do the new ARRA-funded energy efficiency programs provide insights on roles or activities that are particularly well-suited to state and local program administrators vs. administrators or implementers of utility customer-funded programs? The answers could have important implications for the future of U.S. energy efficiency. This report focuses on a selected set of ARRA

  6. Energy Saving Potential by Utilizing Natural Ventilation under Warm Conditions

    DEFF Research Database (Denmark)

    Oropeza-Perez, Ivan; Østergaard, Poul Alberg

    2014-01-01

    The objective of this article is to show the potential of natural ventilation as a passive cooling method within the residential sector of countries which are located in warm conditions using Mexico as a case study. The method is proposed as performing, with a simplified ventilation model, thermal......–airflow simulations of 27 common cases of dwellings (considered as one thermal zone) based on the combination of specific features of the building design, occupancy and climate conditions. The energy saving potential is assessed then by the use of a new assessment method suitable for large-scale scenarios using...... the actual number of air-conditioned dwellings distributed among the 27 cases. Thereby, the energy saving is presented as the difference in the cooling demand of the dwelling during one year without and with natural ventilation, respectively. Results indicate that for hot-dry conditions, buildings with high...

  7. Silicon passivation study under low energy electron irradiation conditions

    International Nuclear Information System (INIS)

    Cluzel, R.

    2010-01-01

    Backside illuminated thinned CMOS (Complementary Metal Oxide Semiconductor) imaging system is a technology developed to increase the signal to noise ratio and the sensibility of such sensors. This configuration is adapted to the electrons detection from the energy range of [1 - 12 keV]. The impinging electron creates by multiplication several hundreds of secondary electrons close to the surface. A P ++ highly-doped passivation layer of the rear face is required to reduce the secondary electron surface recombination rate. Thanks to the potential barrier induced by the P ++ layer, the passivation layer increases the collected charges number and so the sensor collection gain. The goal of this study is to develop some experimental methods in order to determine the effect of six different passivation processes on the collection gain. Beforehand, the energy profile deposited by an incident electron is studied with the combination of Monte-Carlo simulations and some analytical calculations. The final collection gain model shows that the mirror effect from the passivation layer is a key factor at high energies whereas the passivation layer has to be as thin as possible at low energies. A first experimental setup which consists in irradiating P ++ /N large diodes allows to study the passivation process impacts on the surface recombinations. Thanks to a second setup based on a single event upset directly on thinned CMOS sensor, passivation techniques are discriminated in term of mirror effect and the implied spreading charges. The doping atoms activation laser annealing is turn out to be a multiplication gain inhomogeneity source impacting directly the matrix uniformity. (author)

  8. Landscape genomics and biased FST approaches reveal single nucleotide polymorphisms under selection in goat breeds of North-East Mediterranean

    Directory of Open Access Journals (Sweden)

    Joost Stephane

    2009-02-01

    Full Text Available Abstract Background In this study we compare outlier loci detected using a FST based method with those identified by a recently described method based on spatial analysis (SAM. We tested a panel of single nucleotide polymorphisms (SNPs previously genotyped in individuals of goat breeds of southern areas of the Mediterranean basin (Italy, Greece and Albania. We evaluate how the SAM method performs with SNPs, which are increasingly employed due to their high number, low cost and easy of scoring. Results The combined use of the two outlier detection approaches, never tested before using SNP polymorphisms, resulted in the identification of the same three loci involved in milk and meat quality data by using the two methods, while the FST based method identified 3 more loci as under selection sweep in the breeds examined. Conclusion Data appear congruent by using the two methods for FST values exceeding the 99% confidence limits. The methods of FST and SAM can independently detect signatures of selection and therefore can reduce the probability of finding false positives if employed together. The outlier loci identified in this study could indicate adaptive variation in the analysed species, characterized by a large range of climatic conditions in the rearing areas and by a history of intense trade, that implies plasticity in adapting to new environments.

  9. Free-Energy Landscape of Reverse tRNA Translocation through the Ribosome Analyzed by Electron Microscopy Density Maps and Molecular Dynamics Simulations

    Science.gov (United States)

    Ishida, Hisashi; Matsumoto, Atsushi

    2014-01-01

    To understand the mechanism of reverse tRNA translocation in the ribosome, all-atom molecular dynamics simulations of the ribosome-tRNAs-mRNA-EFG complex were performed. The complex at the post-translocational state was directed towards the translocational and pre-translocational states by fitting the complex into cryo-EM density maps. Between a series of the fitting simulations, umbrella sampling simulations were performed to obtain the free-energy landscape. Multistep structural changes, such as a ratchet-like motion and rotation of the head of the small subunit were observed. The free-energy landscape showed that there were two main free-energy barriers: one between the post-translocational and intermediate states, and the other between the pre-translocational and intermediate states. The former corresponded to a clockwise rotation, which was coupled to the movement of P-tRNA over the P/E-gate made of G1338, A1339 and A790 in the small subunit. The latter corresponded to an anticlockwise rotation of the head, which was coupled to the location of the two tRNAs in the hybrid state. This indicates that the coupled motion of the head rotation and tRNA translocation plays an important role in opening and closing of the P/E-gate during the ratchet-like movement in the ribosome. Conformational change of EF-G was interpreted to be the result of the combination of the external motion by L12 around an axis passing near the sarcin-ricin loop, and internal hinge-bending motion. These motions contributed to the movement of domain IV of EF-G to maintain its interaction with A/P-tRNA. PMID:24999999

  10. Free-energy landscape of reverse tRNA translocation through the ribosome analyzed by electron microscopy density maps and molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Hisashi Ishida

    Full Text Available To understand the mechanism of reverse tRNA translocation in the ribosome, all-atom molecular dynamics simulations of the ribosome-tRNAs-mRNA-EFG complex were performed. The complex at the post-translocational state was directed towards the translocational and pre-translocational states by fitting the complex into cryo-EM density maps. Between a series of the fitting simulations, umbrella sampling simulations were performed to obtain the free-energy landscape. Multistep structural changes, such as a ratchet-like motion and rotation of the head of the small subunit were observed. The free-energy landscape showed that there were two main free-energy barriers: one between the post-translocational and intermediate states, and the other between the pre-translocational and intermediate states. The former corresponded to a clockwise rotation, which was coupled to the movement of P-tRNA over the P/E-gate made of G1338, A1339 and A790 in the small subunit. The latter corresponded to an anticlockwise rotation of the head, which was coupled to the location of the two tRNAs in the hybrid state. This indicates that the coupled motion of the head rotation and tRNA translocation plays an important role in opening and closing of the P/E-gate during the ratchet-like movement in the ribosome. Conformational change of EF-G was interpreted to be the result of the combination of the external motion by L12 around an axis passing near the sarcin-ricin loop, and internal hinge-bending motion. These motions contributed to the movement of domain IV of EF-G to maintain its interaction with A/P-tRNA.

  11. Conceptual Analysis: The Charcoal-Agriculture Nexus to Understand the Socio-Ecological Contexts Underlying Varied Sustainability Outcomes in African Landscapes

    Directory of Open Access Journals (Sweden)

    Miyuki Iiyama

    2017-06-01

    Full Text Available The production of charcoal is an important socio-economic activity in sub-Saharan Africa (SSA. Charcoal production is one of the leading drivers of rural land-use changes in SSA, although the intensity of impacts on the multi-functionality of landscapes varies considerably. Within a given landscape, charcoal production is closely interconnected to agriculture production both as major livelihoods, while both critically depend on the same ecosystem services. The interactions between charcoal and agricultural production systems can lead to positive synergies of impacts, but will more often result in trade-offs and even vicious cycles. Such sustainability outcomes vary from one site to another due to the heterogeneity of contexts, including agricultural production systems that affect the adoption of technologies and practices. Trade-offs or cases of vicious cycles occur when one-off resource exploitation of natural trees for charcoal production for short-term economic gains permanently impairs ecosystem functions. Given the fact that charcoal, as an important energy source for the growing urban populations and an essential livelihood for the rural populations, cannot be readily substituted in SSA, there must be policies to support charcoal production. Policies should encourage sustainable technologies and practices, either by establishing plantations or by encouraging regeneration, whichever is more suitable for the local environment. To guide context-specific interventions, this paper presents a new perspective—the charcoal-agriculture nexus—aimed at facilitating the understanding of the socio-economic and ecological interactions of charcoal and agricultural production. The nexus especially highlights two dimensions of the socio-ecological contexts: charcoal value chains and tenure systems. Combinations of the two are assumed to underlie varied socio-economic and ecological sustainability outcomes by conditioning incentive mechanisms to affect

  12. Contemporary danish landscape research

    DEFF Research Database (Denmark)

    Vejre, H.; Brandt, J.

    2004-01-01

    Danish landscape research blossomed during the 1990’ies thanks to several transdisciplinary research programmes involving several institutions. The main themes of the programmes encompassed Landscape change, landscape and biological diversity, nature and landscape management, use and monitoring...

  13. EROI of crystalline silicon photovoltaics : Variations under different assumptions regarding manufacturing energy inputs and energy output

    OpenAIRE

    Lundin, Johan

    2013-01-01

    Installed photovoltaic nameplate power have been growing rapidly around the worldin the last few years. But how much energy is returned to society (i.e. net energy) by this technology, and which factors contribute the most to the amount of energy returned? The objective of this thesis was to examine the importance of certain inputs and outputs along the solar panel production chain and their effect on the energy return on (energy) investment (EROI) for crystalline wafer-based photovoltaics. A...

  14. Electromagnetic Landscape

    DEFF Research Database (Denmark)

    Cermak, Daniel; Okutsu, Ayaka; Hasse, Stina

    2015-01-01

    Electromagnetic Landscape demonstrates in direct, tangible and immediate ways effects of the disruption of the familiar. An ubiquitous technological medium, FM radio, is turned into an alien and unfamiliar one. Audience participation, the environment, radio signals and noise create a site...

  15. Changing Landscape

    DEFF Research Database (Denmark)

    Tunby Gulbrandsen, Ib; Kamstrup, Andreas; Koed Madsen, Anders

    with an analysis of the changing organizational landscape created by new ICT’s like Google, Facebook, Wikipedia, iPods, smart phones and Wi-Fi. Based on five netno- and ethno-graphic investigations of the intertwinement of ICT’s and organizational work, we point to three features that have changed the scene: new...

  16. Disposable Landscapes

    Science.gov (United States)

    Kevin T. Smith

    2008-01-01

    Whether we are a traditionalist or on the cutting edge of landscape care, we need to take a deep breath and think about what we are trying to achieve, before we select a specific treatment or practice for tree care. We should measure that treatment or practice against what we know about the tree system. I say "system" because the recent years of Modern...

  17. Optimization under uncertainty of parallel nonlinear energy sinks

    Science.gov (United States)

    Boroson, Ethan; Missoum, Samy; Mattei, Pierre-Olivier; Vergez, Christophe

    2017-04-01

    Nonlinear Energy Sinks (NESs) are a promising technique for passively reducing the amplitude of vibrations. Through nonlinear stiffness properties, a NES is able to passively and irreversibly absorb energy. Unlike the traditional Tuned Mass Damper (TMD), NESs do not require a specific tuning and absorb energy over a wider range of frequencies. Nevertheless, they are still only efficient over a limited range of excitations. In order to mitigate this limitation and maximize the efficiency range, this work investigates the optimization of multiple NESs configured in parallel. It is well known that the efficiency of a NES is extremely sensitive to small perturbations in loading conditions or design parameters. In fact, the efficiency of a NES has been shown to be nearly discontinuous in the neighborhood of its activation threshold. For this reason, uncertainties must be taken into account in the design optimization of NESs. In addition, the discontinuities require a specific treatment during the optimization process. In this work, the objective of the optimization is to maximize the expected value of the efficiency of NESs in parallel. The optimization algorithm is able to tackle design variables with uncertainty (e.g., nonlinear stiffness coefficients) as well as aleatory variables such as the initial velocity of the main system. The optimal design of several parallel NES configurations for maximum mean efficiency is investigated. Specifically, NES nonlinear stiffness properties, considered random design variables, are optimized for cases with 1, 2, 3, 4, 5, and 10 NESs in parallel. The distributions of efficiency for the optimal parallel configurations are compared to distributions of efficiencies of non-optimized NESs. It is observed that the optimization enables a sharp increase in the mean value of efficiency while reducing the corresponding variance, thus leading to more robust NES designs.

  18. LANDPLANER (LANDscape, Plants, LANdslide and ERosion): a model to describe the dynamic response of slopes (or basins) under different changing scenarios

    Science.gov (United States)

    Rossi, Mauro; Torri, Dino; Santi, Elisa; Bacaro, Giovanni; Marchesini, Ivan

    2014-05-01

    approaches have been proposed to model separately landslide and erosion processes, only few attempts were made to model both jointly, mostly integrating pre-existing models. To overcome this limitation we develop a new model called LANDPLANER (LANDscape, Plants, LANdslide and ERosion), specifically design to describe the dynamic response of slopes (or basins) under different changing scenarios including: (i) changes of meteorological factors, (ii) changes of vegetation or land-use, (iii) and changes of slope morphology. The was applied in different study area in order to check its basic assumptions, and to test its general operability and applicability. Results show a reasonable model behaviors and confirm its easy applicability in real cases.

  19. Wildlife Population Dynamics in Human-Dominated Landscapes under Community-Based Conservation: The Example of Nakuru Wildlife Conservancy, Kenya.

    Directory of Open Access Journals (Sweden)

    Joseph O Ogutu

    carnivores increased overall whereas that of herbivores first increased from 1996 to 2006 and then levelled off thereafter. Aggregate herbivore biomass increased linearly with increasing cumulative wet season rainfall. The densities of the 30 most abundant species were either strongly positively or negatively correlated with cumulative past rainfall, most commonly with the early wet season component. The collaborative wildlife conservation and management initiatives undertaken on the mosaic of private, communal and public lands were thus associated with increase or no decrease in numbers of 32 and decrease in numbers of 12 of the 44 species. Despite the decline by some species, effective community-based conservation is central to the future of wildlife in the NWC and other rangelands of Kenya and beyond and is crucially dependent on the good will, effective engagement and collective action of local communities, working in partnerships with various organizations, which, in NWC, operated under the umbrella of the Nakuru Wildlife Forum.

  20. Advancing solar energy forecasting through the underlying physics

    Science.gov (United States)

    Yang, H.; Ghonima, M. S.; Zhong, X.; Ozge, B.; Kurtz, B.; Wu, E.; Mejia, F. A.; Zamora, M.; Wang, G.; Clemesha, R.; Norris, J. R.; Heus, T.; Kleissl, J. P.

    2017-12-01

    As solar power comprises an increasingly large portion of the energy generation mix, the ability to accurately forecast solar photovoltaic generation becomes increasingly important. Due to the variability of solar power caused by cloud cover, knowledge of both the magnitude and timing of expected solar power production ahead of time facilitates the integration of solar power onto the electric grid by reducing electricity generation from traditional ancillary generators such as gas and oil power plants, as well as decreasing the ramping of all generators, reducing start and shutdown costs, and minimizing solar power curtailment, thereby providing annual economic value. The time scales involved in both the energy markets and solar variability range from intra-hour to several days ahead. This wide range of time horizons led to the development of a multitude of techniques, with each offering unique advantages in specific applications. For example, sky imagery provides site-specific forecasts on the minute-scale. Statistical techniques including machine learning algorithms are commonly used in the intra-day forecast horizon for regional applications, while numerical weather prediction models can provide mesoscale forecasts on both the intra-day and days-ahead time scale. This talk will provide an overview of the challenges unique to each technique and highlight the advances in their ongoing development which come alongside advances in the fundamental physics underneath.

  1. Surface dose measurements under stretched, perforated thermoplast sheets and under protective wound dressings for high energy photon radiation

    International Nuclear Information System (INIS)

    Staudenraus, J.; Christ, G.

    2000-01-01

    Patient fixation masks made of perforated thermoplast sheets are widely used in radiotherapy. These masks in particular serve to immobilize the head and neck region during radiation treatment. We placed samples made of differently stretched, perforated mask material on the surface of a white polystyrene (RW3) phantom and measured for high energy photon beams from Co-60 radiation up to 25 MV bremsstrahlung the dose increase resulting from the build-up under the hole and bridge areas. Depending on the energy of the incident beam and the thickness of the stretched mask material we observed a dose increase under the bridges at the phantom surface of 55% up to 140% compared to the dose without a layer of mask material. Under a hole the dose increase is almost half the value found under a bridge. However, deeper than 1 mm under the phantom surface this difference in dose increase under holes and bridges decreases to less than 10%. The mean dose increase under a perforated thermoplast sheet is lower than the dose increase under a homogeneous sheet made of the same material with the same mean thickness. Radiation induced skin lesions or an ulcerating tumour, respectively, may require a protective wound dressing under a patient fixation mask during radiation therapy. Choosing a thin hydrocolloid wound dressing the additional dose increase of the skin, compared to the dose increase due to the fixation mask, can be kept low. (orig.) [de

  2. Towards measurement and verification of energy performance under the framework of the European directive for energy performance of buildings

    International Nuclear Information System (INIS)

    Burman, Esfand; Mumovic, Dejan; Kimpian, Judit

    2014-01-01

    Directive 2002/91/EC of the European Parliament and Council on the Energy Performance of Buildings has led to major developments in energy policies followed by the EU Member States. The national energy performance targets for the built environment are mostly rooted in the Building Regulations that are shaped by this Directive. Article 3 of this Directive requires a methodology to calculate energy performance of buildings under standardised operating conditions. Overwhelming evidence suggests that actual energy performance is often significantly higher than this standardised and theoretical performance. The risk is national energy saving targets may not be achieved in practice. The UK evidence for the education and office sectors is presented in this paper. A measurement and verification plan is proposed to compare actual energy performance of a building with its theoretical performance using calibrated thermal modelling. Consequently, the intended vs. actual energy performance can be established under identical operating conditions. This can help identify the shortcomings of construction process and building procurement. Once energy performance gap is determined with reasonable accuracy and root causes identified, effective measures could be adopted to remedy or offset this gap. - Highlights: • Building energy performance gap is a negative externality that must be addressed. • A method is proposed to link actual performance to building compliance calculation. • Energy performance gap is divided into procurement and operational gaps. • This framework enables policy makers to measure and address procurement gap. • Building fine-tuning by construction teams could also narrow operational gap

  3. Energy profile of nanobody–GFP complex under force

    International Nuclear Information System (INIS)

    Klamecka, Kamila; Severin, Philip M; Milles, Lukas F; Gaub, Hermann E; Leonhardt, Heinrich

    2015-01-01

    Nanobodies (Nbs)—the smallest known fully functional and naturally occuring antigen-binding fragments—have attracted a lot of attention throughout the last two decades. Exploring their potential beyond the current use requires more detailed characterization of their binding forces as those cannot be directly derived from the binding affinities. Here we used atomic force microscope to measure rupture force of the Nb–green fluorescent protein (GFP) complex in various pulling geometries and derived the energy profile characterizing the interaction along the direction of the pulling force. We found that—despite identical epitopes—the Nb binds stronger (41–56 pN) to enhanced GFP than to wild-type GFP (28–45 pN). Measured forces make the Nb–GFP pair a potent reference for investigating molecular forces in living systems both in and ex vivo. (paper)

  4. Relativistic Killingbeck energy states under external magnetic fields

    International Nuclear Information System (INIS)

    Eshghi, M.; Mehraban, H.; Ikhdair, S.M.

    2016-01-01

    We address the behavior of the Dirac equation with the Killingbeck radial potential including the external magnetic and Aharonov-Bohm (AB) flux fields. The spin and pseudo-spin symmetries are considered. The correct bound state spectra and their corresponding wave functions are obtained. We seek such a solution using the biconfluent Heun's differential equation method. Further, we give some of our results at the end of this study. Our final results can be reduced to their non-relativistic forms by simply using some appropriate transformations. The spectra, in the spin and pseudo-spin symmetries, are very similar with a slight difference in energy spacing between different states. (orig.)

  5. Energy profile of nanobody-GFP complex under force

    Science.gov (United States)

    Klamecka, Kamila; Severin, Philip M.; Milles, Lukas F.; Gaub, Hermann E.; Leonhardt, Heinrich

    2015-10-01

    Nanobodies (Nbs)—the smallest known fully functional and naturally occuring antigen-binding fragments—have attracted a lot of attention throughout the last two decades. Exploring their potential beyond the current use requires more detailed characterization of their binding forces as those cannot be directly derived from the binding affinities. Here we used atomic force microscope to measure rupture force of the Nb-green fluorescent protein (GFP) complex in various pulling geometries and derived the energy profile characterizing the interaction along the direction of the pulling force. We found that—despite identical epitopes—the Nb binds stronger (41-56 pN) to enhanced GFP than to wild-type GFP (28-45 pN). Measured forces make the Nb-GFP pair a potent reference for investigating molecular forces in living systems both in and ex vivo.

  6. Relativistic Killingbeck energy states under external magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Eshghi, M. [Islamic Azad University, Researchers and Elite Club, Central Tehran Branch, Tehran (Iran, Islamic Republic of); Mehraban, H. [Semnan University, Faculty of Physics, Semnan (Iran, Islamic Republic of); Ikhdair, S.M. [An-Najah National University, Department of Physics, Faculty of Science, Nablus, West Bank, Palestine (Country Unknown); Near East University, Department of Electrical Engineering, Nicosia, Northern Cyprus (Turkey)

    2016-07-15

    We address the behavior of the Dirac equation with the Killingbeck radial potential including the external magnetic and Aharonov-Bohm (AB) flux fields. The spin and pseudo-spin symmetries are considered. The correct bound state spectra and their corresponding wave functions are obtained. We seek such a solution using the biconfluent Heun's differential equation method. Further, we give some of our results at the end of this study. Our final results can be reduced to their non-relativistic forms by simply using some appropriate transformations. The spectra, in the spin and pseudo-spin symmetries, are very similar with a slight difference in energy spacing between different states. (orig.)

  7. Energy profile of nanobody-GFP complex under force.

    Science.gov (United States)

    Klamecka, Kamila; Severin, Philip M; Milles, Lukas F; Gaub, Hermann E; Leonhardt, Heinrich

    2015-09-10

    Nanobodies (Nbs)-the smallest known fully functional and naturally occuring antigen-binding fragments-have attracted a lot of attention throughout the last two decades. Exploring their potential beyond the current use requires more detailed characterization of their binding forces as those cannot be directly derived from the binding affinities. Here we used atomic force microscope to measure rupture force of the Nb-green fluorescent protein (GFP) complex in various pulling geometries and derived the energy profile characterizing the interaction along the direction of the pulling force. We found that-despite identical epitopes-the Nb binds stronger (41-56 pN) to enhanced GFP than to wild-type GFP (28-45 pN). Measured forces make the Nb-GFP pair a potent reference for investigating molecular forces in living systems both in and ex vivo.

  8. Energy utilization under different dietary regime in sheep

    International Nuclear Information System (INIS)

    Nasr, M.A.H.

    1982-01-01

    The present system of ruminant nutrition in egypt depends upon the agroindustrial by - products, crop residues and limited quantities of green fodders. Any future development will come through introducing non-traditional materials in ruminant rations and through benefiting from the recent scientific developments occurred in our understanding to the ruminal and post-ruminal digestion. Four rations, were tested throughout the present investigation, these diets consisted of molasses as low-cost, readily fermentable source of energy and as a good carrier for urea, and rice straw . On this diet the supply of amino acids may not be sufficient for moderate production levels by the animals.Hence, amino acids shortage and imbalance, in such animals has had to be expected

  9. Reply to Comment on 'On the importance of the free energy for elasticity under pressure'

    International Nuclear Information System (INIS)

    Marcus, P M; Qiu, S L

    2004-01-01

    All criticisms by Steinle-Neumann and Cohen of the correctness of our calculations of equilibrium structure and elastic constants under pressure from the Gibbs free energy are answered and the criticisms are rejected. The difference between the free energy and the internal energy as functions of structure is described to clarify the use of the free energy. The meaning of elastic constants in a system under pressure is discussed in order to derive the basic quadratic expansion of the free energy in the strains. The coefficients in the expansion are the elastic constants under pressure and are in agreement with well-known work. We give reasons why calculations based on the Gibbs free energy are simpler and more accurate than the usual calculations based on minima of the energy at constant volume. (reply)

  10. Ecological Functions of Landscapes

    Science.gov (United States)

    Kiryushin, V. I.

    2018-01-01

    Ecological functions of landscapes are considered a system of processes ensuring the development, preservation, and evolution of ecosystems and the biosphere as a whole. The concept of biogeocenosis can be considered a model that integrates biotic and environmental functions. The most general biogeocenotic functions specify the biodiversity, biotic links, self-organization, and evolution of ecosystems. Close interaction between biocenosis and the biotope (ecotope) is ensured by the continuous exchange of matter, energy, and information. Ecotope determines the biocenosis. The group of ecotopic functions includes atmospheric (gas exchange, heat exchange, hydroatmospheric, climate-forming), lithospheric (geodynamic, geophysical, and geochemical), hydrologic and hydrogeologic functions of landscape and ecotopic functions of soils. Bioecological functions emerge as a result of the biotope and ecotope interaction; these are the bioproductive, destructive, organoaccumulative, biochemical (gas, concentration, redox, biochemical, biopedological), pedogenetic, and energy functions

  11. Synchronization of grid-connected renewable energy sources under highly distorted voltages and unbalanced grid faults

    DEFF Research Database (Denmark)

    Hadjidemetriou, Lenos; Kyriakides, Elias; Blaabjerg, Frede

    2013-01-01

    Renewable energy sources require accurate and appropriate performance not only under normal grid operation but also under abnormal and faulty grid conditions according to the modern grid codes. This paper proposes a novel phase-locked loop algorithm (MSHDC-PLL), which can enable the fast...... and dynamic synchronization of the interconnected renewable energy system under unbalanced grid faults and under highly harmonic distorted voltage. The outstanding performance of the suggested PLL is achieved by implementing an innovative multi-sequence/harmonic decoupling cell in order to dynamically cancel...... renewable energy systems. Therefore, the performance of the new PLL can increase the quality of the injected power under abnormal conditions and in addition enable the renewable energy systems to provide the appropriate support to the grid under balanced and unbalanced grid faults....

  12. Simulation of an under-floor heating system integrated with solar energy under the weather conditions of Beirut

    Energy Technology Data Exchange (ETDEWEB)

    Kattan, Patrick; Ghali, Kamel [American University of Beirut (Lebanon)], email: pek01@aub.edu.lb, email: ka04@aub.edu.lb

    2011-07-01

    Residential heating indoors can use convective systems, where hot air is blown into the space, or radiant systems, where a radiant panel transfers heat via both convection and radiation. Radiant systems can provide thermal comfort for less energy by directly heating the human body. The aim of this paper is to assess the feasibility of using under-floor solar energy heating systems in the climatic conditions of Beirut. An under-floor heating system with solar/diesel energy system was developed and optimized specifically for Beirut. Results showed that the system could lead to 38% energy savings and a 96% reduction in CO2 emissions with a solar fraction of 95%. An economic analysis was also performed using incremental prices of diesel costs and the cost of land for the installation; it yielded a figure of 19000$/m2 savings over the system's lifetime. This study demonstrated that the use of an under-floor heating system with solar energy in Beirut would have ecological and economic benefits.

  13. The French market of wind energy and its perspectives. Which evolution for the competition landscape in a disrupting regulatory context?

    International Nuclear Information System (INIS)

    2010-11-01

    This article presents the content of a market study which aimed at providing an overview of the development of wind energy in France after market lift-off, at assessing the influence of Grenelle II on this sector, at assessing the competitiveness of wind energy with respect to other production sources, and at analysing strategies of equipment manufacturers and operators on a market where competitive positions are from being fixed. The report proposes an overview of the French wind energy market (legal context, growth dynamics, market valorisation, cost structure and profitability, support measures), analyses the positions and challenges of wind turbine manufacturers (the front end of the sector) and of wind farm developers and operators (the back end of the sector). Several manufacturers (Areva, Enercon, Gamesa, GE Energy, Nordex, REpower, Siemens and Vestas) and developers and operators (Boralex, EDF Energies Nouvelles, EDP Renovavels, Eolfi, GDF Suez, Iberdrola Renovables, Poweo, Theolia) have been analysed

  14. Relationship of Energy Growth to Economic Growth under Alternative Energy Policies

    Energy Technology Data Exchange (ETDEWEB)

    Behling, Jr., D. J.; Dullien, R.; Hudson, E.

    1976-03-01

    This report is the first of a series of studies that will analyze the economic and social impacts of research, development, and demonstration plans of the Energy Research and Development Administration. Two policy proposals were examined against a Base Case set of economic and energy projections for the years 1985, 1990, and 2000: (1) the introduction of RD and D-initiated energy supply and end-use conversion technologies to expand domestic energy supply and to improve the efficiency and flexibility of its use; and (2) the imposition of taxes and tariffs on petroleum and natural gas to reduce demand for these primary energy sources. Targets for the amounts of imports of oil and gas were specified by ERDA as follows: 10 percent (or less) of total U.S. energy consumption in 1985; 8 percent (or less) of total U.S. energy consumption in 1990; and 5 percent (or less) of total U.S. energy consumption in 2000. The purpose of the analysis was to first identify the degree to which the introduction of new energy technologies and/or the imposition of energy taxes could reduce oil and gas imports toward the target levels; and second, to estimate the effects of these policies on the economy and the environment. These economic and environmental effects are thus a measure of the costs associated with meeting the import targets. The benefits of these policies, in the form of increased economic and political security were not measured. The analysis was based on an analytic framework which linked detailed mathematical process engineering and economic models to more aggregate econometric models. The four models employed are described.

  15. Sustaining ecosystem services in cultural landscapes

    Directory of Open Access Journals (Sweden)

    Tobias Plieninger

    2014-06-01

    Full Text Available Classical conservation approaches focus on the man-made degradation of ecosystems and tend to neglect the social-ecological values that human land uses have imprinted on many environments. Throughout the world, ingenious land-use practices have generated unique cultural landscapes, but these are under pressure from agricultural intensification, land abandonment, and urbanization. In recent years, the cultural landscapes concept has been broadly adopted in science, policy, and management. The interest in both outstanding and vernacular landscapes finds expression in the UNESCO World Heritage Convention, the European Landscape Convention, and the IUCN Protected Landscape Approach. These policies promote the protection, management, planning, and governance of cultural landscapes. The ecosystem services approach is a powerful framework to guide such efforts, but has rarely been applied in landscape research and management. With this paper, we introduce a special feature that aims to enhance the theoretical, empirical and practical knowledge of how to safeguard the resilience of ecosystem services in cultural landscapes. It concludes (1 that the usefulness of the ecosystem services approach to the analysis and management of cultural landscapes should be reviewed more critically; (2 that conventional ecosystem services assessment needs to be complemented by socio-cultural valuation; (3 that cultural landscapes are inherently changing, so that a dynamic view on ecosystem services and a focus on drivers of landscape change are needed; and (4 that managing landscapes for ecosystem services provision may benefit from a social-ecological resilience perspective.

  16. Detectability of landscape effects on recolonization increases with regional population density.

    Science.gov (United States)

    Liman, Anna-Sara; Dalin, Peter; Björkman, Christer

    2015-07-01

    Variation in population size over time can influence our ability to identify landscape-moderated differences in community assembly. To date, however, most studies at the landscape scale only cover snapshots in time, thereby overlooking the temporal dynamics of populations and communities. In this paper, we present data that illustrate how temporal variation in population density at a regional scale can influence landscape-moderated variation in recolonization and population buildup in disturbed habitat patches. Four common insect species, two omnivores and two herbivores, were monitored over 8 years in 10 willow short-rotation coppice bio-energy stands with a four-year disturbance regime (coppice cycle). The population densities in these regularly disturbed stands were compared to densities in 17 undisturbed natural Salix cinerea (grey willow) stands in the same region. A time series approach was used, utilizing the natural variation between years to statistically model recolonization as a function of landscape composition under two different levels of regional density. Landscape composition, i.e. relative amount of forest vs. open agricultural habitats, largely determined the density of re-colonizing populations following willow coppicing in three of the four species. However, the impact of landscape composition was not detectable in years with low regional density. Our results illustrate that landscape-moderated recolonization can change over time and that considering the temporal dynamics of populations may be crucial when designing and evaluating studies at landscape level.

  17. A study of the deep structure of the energy landscape of glassy polystyrene: the exponential distribution of the energy barriers revealed by high-field electron spin resonance spectroscopy

    International Nuclear Information System (INIS)

    Bercu, V; Martinelli, M; Massa, C A; Pardi, L A; Leporini, D

    2004-01-01

    The reorientation of one small paramagnetic molecule (spin probe) in glassy polystyrene (PS) is studied by high-field electron spin resonance spectroscopy at two different Larmor frequencies (190 and 285 GHz). The exponential distribution of the energy barriers for the rotational motion of the spin probe is unambiguously evidenced at both 240 and 270 K. The same shape for the distribution of the energy barriers of PS was evidenced by the master curves provided by previous mechanical and light scattering studies. The breadth of the energy barrier distribution of the spin probe is in the range of the estimates of the breadth of the PS energy barrier distribution. The evidence that the deep structure of the energy landscape of PS exhibits the exponential shape of the energy barrier distribution agrees with the results from extreme-value statistics (Bouchaud and Mezard 1997 J. Phys. A: Math. Gen. 30 7997) and the trap model by Bouchaud and co-workers (1996 J. Phys. A: Math. Gen. 29 3847, 2001 Phys. Rev. B 64 104417). (letter to the editor)

  18. Energy from biomass. Ethics and practice; Energie aus Biomasse. Ethik und Praxis

    Energy Technology Data Exchange (ETDEWEB)

    Franke, Silke [ed.

    2013-06-01

    The implementation of the energy policy turnaround inevitably results in modifications of the land use and landscape. Besides the discussion about the environmental consequences, a debate about ethical issues increasingly arose. Under this aspect, the booklet under consideration contains the following contributions: (1) Renewable energy sources - the role of bioenergy (Bernard Widmann); (2) Energy from biomass - An ethic analysis (Stephan Schleissing); (3) Culture for our landscapes - combination of biomass and water protection (Frank Wagener); (4) Cultivation of energy crops - short rotation coppices (Frank Burger); (5) Bioenergy region Straubing-Bogen: Excellent in the matter of renewable energy sources (Josefine Eichwald); (6) Rural development - motor for the energy policy turnaround (Roland Spiller).

  19. Measuring energy efficiency under heterogeneous technologies using a latent class stochastic frontier approach: An application to Chinese energy economy

    International Nuclear Information System (INIS)

    Lin, Boqiang; Du, Kerui

    2014-01-01

    The importance of technology heterogeneity in estimating economy-wide energy efficiency has been emphasized by recent literature. Some studies use the metafrontier analysis approach to estimate energy efficiency. However, for such studies, some reliable priori information is needed to divide the sample observations properly, which causes a difficulty in unbiased estimation of energy efficiency. Moreover, separately estimating group-specific frontiers might lose some common information across different groups. In order to overcome these weaknesses, this paper introduces a latent class stochastic frontier approach to measure energy efficiency under heterogeneous technologies. An application of the proposed model to Chinese energy economy is presented. Results show that the overall energy efficiency of China's provinces is not high, with an average score of 0.632 during the period from 1997 to 2010. - Highlights: • We introduce a latent class stochastic frontier approach to measure energy efficiency. • Ignoring technological heterogeneity would cause biased estimates of energy efficiency. • An application of the proposed model to Chinese energy economy is presented. • There is still a long way for China to develop an energy efficient regime

  20. An approach to costs and energy consumption in private urban Spanish Mediterranean landscapes from a simplified model in sprinkle irrigation

    Energy Technology Data Exchange (ETDEWEB)

    Arbat, G.; Pujol, J.; Pelegri, M.; Puig-Bargues, J.; Duran-Ros, M.; Ramirez de Cartagena, F.

    2013-05-01

    The number of private gardens has increased in recent years, creating a more pleasant urban model, but not without having an environmental impact, including increased energy consumption, which is the focus of this study. The estimation of costs and energy consumption for the generic typology of private urban gardens is based on two simplifying assumptions: square geometry with surface areas from 25 to 500 m{sup 2} and hydraulic design with a single pipe. In total, eight sprinkler models have been considered, along with their possible working pressures, and 31 pumping units grouped into 5 series that adequately cover the range of required flow rates and pressures, resulting in 495 hydraulic designs repeated for two climatically different locations in the Spanish Mediterranean area (Girona and Elche). Mean total irrigation costs for the locality with lower water needs (Girona) and greater needs (Elche) were {epsilon} 2,974 ha{sup -}1 yr-1 and {epsilon}3,383 ha{sup -}1 yr{sup -}1, respectively. Energy costs accounted for 11.4% of the total cost for the first location, and 23.0% for the second. While a suitable choice of the hydraulic elements of the setup is essential, as it may provide average energy savings of 77%, due to the low energy cost in relation to the cost of installation, the potential energy savings do not constitute a significant incentive for the irrigation system design. The low efficiency of the pumping units used in this type of garden is the biggest obstacle and constraint to achieving a high quality energy solution. (Author) 32 refs.

  1. An approach to costs and energy consumption in private urban Spanish Mediterranean landscapes from a simplified model in sprinkle irrigation

    Directory of Open Access Journals (Sweden)

    G. Arbat

    2013-02-01

    Full Text Available The number of private gardens has increased in recent years, creating a more pleasant urban model, but not without having an environmental impact, including increased energy consumption, which is the focus of this study. The estimation of costs and energy consumption for the generic typology of private urban gardens is based on two simplifying assumptions: square geometry with surface areas from 25 to 500 m2 and hydraulic design with a single pipe. In total, eight sprinkler models have been considered, along with their possible working pressures, and 31 pumping units grouped into 5 series that adequately cover the range of required flow rates and pressures, resulting in 495 hydraulic designs repeated for two climatically different locations in the Spanish Mediterranean area (Girona and Elche. Mean total irrigation costs for the locality with lower water needs (Girona and greater needs (Elche were € 2,974 ha-1 yr-1 and € 3,383 ha-1 yr-1, respectively. Energy costs accounted for 11.4% of the total cost for the first location, and 23.0% for the second. While a suitable choice of the hydraulic elements of the setup is essential, as it may provide average energy savings of 77%, due to the low energy cost in relation to the cost of installation, the potential energy savings do not constitute a significant incentive for the irrigation system design. The low efficiency of the pumping units used in this type of garden is the biggest obstacle and constraint to achieving a high quality energy solution.

  2. The Energy Effectiveness Of Crops In Crop Rotation Under Different Soil Tillage Systems

    Directory of Open Access Journals (Sweden)

    Strašil Zdeněk

    2015-09-01

    Full Text Available The paper identifies and compares the energy balance of winter wheat, spring barley and white mustard – all grown in crop rotation under different tillage conditions. The field trial included the conventional tillage (CT method, minimum tillage (MT and a system with no tillage (NT. The energy inputs included both the direct and indirect energy component. Energy outputs are evaluated as gross calorific value (gross heating value of phytomass dry matter of the primary product and the total harvested production. The energy effectiveness (energy output: energy input was selected for evaluation. The greatest energy effectiveness for the primary product was established as 6.35 for barley, 6.04 for wheat and 3.68 for mustard; in the case of total production, it was 9.82 for barley, 10.08 for wheat and 9.72 for mustard. When comparing the different tillage conditions, the greatest energy effectiveness was calculated for the evaluated crops under the MT operation and represented the primary product of wheat at 6.49, barley at 6.69 and mustard at 3.92. The smallest energy effectiveness for the primary product was found in wheat 5.77 and barley 6.10 under the CT option; it was 3.55 for mustard under the option of NT. Throughout the entire cropping pattern, the greatest energy effectiveness was established under the minimum tillage option – 5.70 for the primary product and 10.47 for the total production. On the other hand, the smallest values were calculated under CT – 5.22 for the primary product and 9.71 for total production.

  3. Under-Use of Body Energy and Over-Use of External Energy

    DEFF Research Database (Denmark)

    Nørgaard, Jørgen

    2005-01-01

    The world’s affluent countries, such as the EU, are facing two severe problems with long-term consequences. One problem is the epidemic-like increase in adverse health effects, which are related to the increasing wealth, primarily appearing as obesity and its associated diseases. This is caused...... of magnitude higher, which can be expressed by the scores of “energy slaves” each citizen utilizes. An extra health driven physical effort by humans seems to have negligible direct impact on energy consumption. The paper will, however, indicate examples of significant indirect savings of external energy......, achieved by healthy extra human efforts. Also, the paper will suggest ways to integrate energy saving policies with health policies for organizing and designing cities and houses to be “healthy inconvenient”, encouraging or pushing people to use their body in their daily doings. This is an enormous...

  4. Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

    Science.gov (United States)

    Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

    The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. 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 LDL configurations are located in the same megabasin as LDA, and that 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 and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

  5. Influence of sample preparation on the transformation of low-density to high-density amorphous ice: An explanation based on the potential energy landscape

    Science.gov (United States)

    Giovambattista, Nicolas; Starr, Francis W.; Poole, Peter H.

    2017-07-01

    Experiments and computer simulations of the transformations of amorphous ices display different behaviors depending on sample preparation methods and on the rates of change of temperature and pressure to which samples are subjected. In addition to these factors, simulation results also depend strongly on the chosen water model. Using computer simulations of the ST2 water model, we study how the sharpness of the compression-induced transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is influenced by the preparation of LDA. By studying LDA samples prepared using widely different procedures, we find that the sharpness of the LDA-to-HDA transformation is correlated with the depth of the initial LDA sample in the potential energy landscape (PEL), as characterized by the inherent structure energy. Our results show that the complex phenomenology of the amorphous ices reported in experiments and computer simulations can be understood and predicted in a unified way from knowledge of the PEL of the system.

  6. 储能技术研究景观辨识及演化探析%Identifying the Landscape and Its Evolution in Energy Storage Research

    Institute of Scientific and Technical Information of China (English)

    刘娜; 孙静林; 毛荐其

    2017-01-01

    This study seeks to integrate statistics, text mining, burst detecting and co-occurrence network visualiza-tion to identify the landscape and its evolution of energy storage research from a holistic perspective based on ar-ticles on physical, chemical, electromagnetic and phase change energy storage extracted from SCI-E and SSCI data-base between 1991 and 2015. A stability coefficient and an innovation coefficient are also defined to measure the stability evolution and innovation evolution of keywords co-occurrence networks in energy storage respectively. Our results indicate that the research in energy storage is highly-concentrated in key issues, hot topics are fly-wheel, lithium ion batteries, supercapacitors and phase change materials, and frontier topics are compressed air energy storage, energy storage, lithium ion batteries, thermal conductivity and thermal energy storage. We also find keywords co-occurrence networks expand significantly, knowledge structures evolve constantly and energy storage research is still in its innovation phase.%基于SCI-E及SSCI数据库,检索并提取1991—2015年间物理储能、化学储能、电磁储能和相变储能4大技术领域的论文数据,试图整合统计分析、文本挖掘、突现检测算法和共现网络可视化方法,旨在从整体视角实现对4大储能技术领域科学研究景观的辨识及演化探析.此外,还定义了稳定系数和创新系数,以测度储能关键词共现网络的稳定性演化和创新性演化.研究发现:储能领域的研究问题是高度集中的,"飞轮"、"锂离子电池"、"超级电容器"和"相变材料"是研究热点,"压缩空气储能"、"能源存储"、"锂离子电池"、"导热性"和"热发电"是研究前沿;储能关键词共现网络扩张明显,知识结构也不断演化,储能研究仍处于创新热络期.

  7. Cuban Landscapes

    DEFF Research Database (Denmark)

    Scarpaci, Joseph L.; Portela, Armando

    This accessible book offers a vivid geographic portrait of Cuba, exploring the island’s streetscapes, sugar cane fields, beaches, and rural settlements; its billboards, government buildings, and national landmarks. The authors illuminate how natural and built landscapes have shaped Cuban identity...... (cubanidad), and vice versa. They provide a unique perspective on Cuba’s distinct historical periods and political economies, from the colonial period through republicanism and today’s socialist era. Compelling topics include the legacies of slavery and the sugar industry, the past and future of urban...

  8. Characterization of the polymer energy landscape in polymer:fullerene bulk heterojunctions with pure and mixed phases

    KAUST Repository

    Sweetnam, Sean

    2014-10-08

    Theoretical and experimental studies suggest that energetic offsets between the charge transport energy levels in different morphological phases of polymer:fullerene bulk heterojunctions may improve charge separation and reduce recombination in polymer solar cells (PSCs). In this work, we use cyclic voltammetry, UV-vis absorption, and ultraviolet photoelectron spectroscopy to characterize hole energy levels in the polymer phases of polymer:fullerene bulk heterojunctions. We observe an energetic offset of up to 150 meV between amorphous and crystalline polymer due to bandgap widening associated primarily with changes in polymer conjugation length. We also observe an energetic offset of up to 350 meV associated with polymer:fullerene intermolecular interactions. The first effect has been widely observed, but the second effect is not always considered despite being larger in magnitude for some systems. These energy level shifts may play a major role in PSC performance and must be thoroughly characterized for a complete understanding of PSC function.

  9. Collaboration on Renewable Energy Standards, Testing, and Certification under the U.S. China Renewable Energy Partnership: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Wallace, W.; Kurtz, S.; Lin, W.

    2012-06-01

    During November 2009, the U.S. China Renewable Energy Partnership agreement was authorized in Beijing by Presidents Obama and Hu from the U.S. and China. One of the principle tasks under this new program is the collaboration of the U.S. and China on the topic of renewable energy standards, testing, and certification with an initial focus on solar PV and wind topics. This paper will describe and discuss the activities which have taken place under the bilateral collaboration to date.

  10. Testing the rationality of DOE's energy price forecasts under asymmetric loss preferences

    International Nuclear Information System (INIS)

    Mamatzakis, E.; Koutsomanoli-Filippaki, A.

    2014-01-01

    This paper examines the rationality of the price forecasts for energy commodities of the United States Department of Energy's (DOE), departing from the common assumption in the literature that DOE's forecasts are based on a symmetric underlying loss function with respect to positive vs. negative forecast errors. Instead, we opt for the methodology of Elliott et al. (2005) that allows testing the joint hypothesis of an asymmetric loss function and rationality and reveals the underlying preferences of the forecaster. Results indicate the existence of asymmetries in the shape of the loss function for most energy categories with preferences leaning towards optimism. Moreover, we also examine whether there is a structural break in those preferences over the examined period, 1997–2012. - Highlights: • Examine the rationality of DOE energy forecasts. • Departing from a symmetric underlying loss function. • Asymmetries exist in most energy prices. • Preferences lean towards optimism. • Examine structural breaks in those preferences

  11. AN EVALUATION OF THE SPATIAL DIMENSION OF LANDSCAPE ...

    African Journals Online (AJOL)

    Osondu

    2012-03-30

    Mar 30, 2012 ... with adequate landscaping, - using landscape elements, to create a ... air, water and energy cycles that replenish and rejuvenate ... First, using the street map of. Ogbomoso ... swimming pools, etc, were regarded as conscious.

  12. Energy Management Optimization for Cellular Networks under Renewable Energy Generation Uncertainty

    KAUST Repository

    Rached, Nadhir B.

    2017-03-28

    The integration of renewable energy (RE) as an alternative power source for cellular networks has been deeply investigated in literature. However, RE generation is often assumed to be deterministic; an impractical assumption for realistic scenarios. In this paper, an efficient energy procurement strategy for cellular networks powered simultaneously by the smart grid (SG) and locally deployed RE sources characterized by uncertain processes is proposed. For a one-day operation cycle, the mobile operator aims to reduce its total energy cost by optimizing the amounts of energy to be procured from the local RE sources and SG at each time period. Additionally, it aims to determine the amount of extra generated RE to be sold back to SG. A chance constrained optimization is first proposed to deal with the RE generation uncertainty. Then, two convex approximation approaches: Chernoff and Chebyshev methods, characterized by different levels of knowledge about the RE generation, are developed to determine the energy procurement strategy for different risk levels. In addition, their performances are analyzed for various daily scenarios through selected simulation results. It is shown that the higher complex Chernoff method outperforms the Chebyshev one for different risk levels set by the operator.

  13. Energy Management Optimization for Cellular Networks under Renewable Energy Generation Uncertainty

    KAUST Repository

    Rached, Nadhir B.; Ghazzai, Hakim; Kadri, Abdullah; Alouini, Mohamed-Slim

    2017-01-01

    The integration of renewable energy (RE) as an alternative power source for cellular networks has been deeply investigated in literature. However, RE generation is often assumed to be deterministic; an impractical assumption for realistic scenarios. In this paper, an efficient energy procurement strategy for cellular networks powered simultaneously by the smart grid (SG) and locally deployed RE sources characterized by uncertain processes is proposed. For a one-day operation cycle, the mobile operator aims to reduce its total energy cost by optimizing the amounts of energy to be procured from the local RE sources and SG at each time period. Additionally, it aims to determine the amount of extra generated RE to be sold back to SG. A chance constrained optimization is first proposed to deal with the RE generation uncertainty. Then, two convex approximation approaches: Chernoff and Chebyshev methods, characterized by different levels of knowledge about the RE generation, are developed to determine the energy procurement strategy for different risk levels. In addition, their performances are analyzed for various daily scenarios through selected simulation results. It is shown that the higher complex Chernoff method outperforms the Chebyshev one for different risk levels set by the operator.

  14. TFAP2B influences the effect of dietary fat on weight loss under energy restriction

    DEFF Research Database (Denmark)

    Stocks, Tanja; Angquist, Lars; Banasik, Karina

    2012-01-01

    Numerous gene loci are related to single measures of body weight and shape. We investigated if 55 SNPs previously associated with BMI or waist measures, modify the effects of fat intake on weight loss and waist reduction under energy restriction.......Numerous gene loci are related to single measures of body weight and shape. We investigated if 55 SNPs previously associated with BMI or waist measures, modify the effects of fat intake on weight loss and waist reduction under energy restriction....

  15. Electron energy spectrum and maximum disruption angle under multi-photon beamstrahlung

    Energy Technology Data Exchange (ETDEWEB)

    Yokoya, Kaoru; Chen, Pisin

    1989-03-01

    The final electron energy spectrum under multi-photon beamstrahlung process is derived analytically in the classical and the intermediate regimes. The maximum disruption angle from the low energy tail of the spectrum is also estimated. The results are then applied to the TLC and the CLIC parameters. 6 refs., 1 fig., 1 tab.

  16. PESP Landscaping Initiative

    Science.gov (United States)

    Landscaping practices can positively or negatively affect local environments and human health. The Landscaping Initiative seeks to enhance benefits of landscaping while reducing need for pesticides, fertilizers, etc., by working with partners.

  17. Returns on investments in energy-saving technologies under energy price uncertainty in Dutch greenhouse horticulture

    NARCIS (Netherlands)

    Diederen, P.J.M.; Tongeren, van F.W.; Veen, van der H.B.

    2003-01-01

    Conventional net present value calculations evaluating the profitability of investments in energy-saving technologies in Dutch horticultural outlays predict a much higher rate of adoption of these technologies than is actually observed. This paper tries to explain this gap by applying a real options

  18. Universal time-dependence of the mean-square displacement in extremely rugged energy landscapes with equal minima

    DEFF Research Database (Denmark)

    Dyre, Jeppe; Jacobsen, Jacob M.

    1995-01-01

    This paper presents a calculation of the time dependence of the mean-square displacement for symmetric random energy barrier hopping models at low temperatures, where the frequency dependence of the normalized diffusion constant D-tilde becomes universal, i.e., independent of the energy barrier...... probability distribution [J. C. Dyre, Phys. Rev. B 49, 11 709 (1994)]. The universal time dependence of the mean-square displacement is calculated from the effective medium approximation (EMA) universality equation, D-tilde lnD-tilde=s-tilde, where s-tilde is the dimensionless imaginary frequency, as well...... as for the approximation to the EMA universality equation D-tilde~=s-tilde/ln(1+s-tilde). At long times the universal mean-square displacement is linear in time, corresponding to ordinary diffusion, whereas the mean-square displacement at short times t in dimensionless units varies as 2/ln(t-1)....

  19. Landscape planning as a contribution to the assessment and finding of sites for energy facilities from an ecological and creative point of view

    International Nuclear Information System (INIS)

    Buchwald, K.

    1977-01-01

    The environmental agreeability examination through landscape planning in connection with the finding of sites for power stations and their integration into area planning is explained. The procedure of landscape planning for the assessment of power station sites is also presented. (RW) [de

  20. Making optimal investment decisions for energy service companies under uncertainty: A case study

    International Nuclear Information System (INIS)

    Deng, Qianli; Jiang, Xianglin; Zhang, Limao; Cui, Qingbin

    2015-01-01

    Varied initial energy efficiency investments would result in different annual energy savings achievements. In order to balance the savings revenue and the potential capital loss through EPC (Energy Performance Contracting), a cost-effective investment decision is needed when selecting energy efficiency technologies. In this research, an approach is developed for the ESCO (Energy Service Company) to evaluate the potential energy savings profit, and thus make the optimal investment decisions. The energy savings revenue under uncertainties, which are derived from energy efficiency performance variation and energy price fluctuation, are first modeled as stochastic processes. Then, the derived energy savings profit is shared by the owner and the ESCO according to the contract specification. A simulation-based model is thus built to maximize the owner's profit, and at the same time, satisfy the ESCO's expected rate of return. In order to demonstrate the applicability of the proposed approach, the University of Maryland campus case is also presented. The proposed method could not only help the ESCO determine the optimal energy efficiency investments, but also assist the owner's decision in the bidding selection. - Highlights: • An optimization model is built for determining energy efficiency investment for ESCO. • Evolution of the energy savings revenue is modeled as a stochastic process. • Simulation is adopted to calculate investment balancing the owner and the ESCO's profit. • A campus case is presented to demonstrate applicability of the proposed approach

  1. On the importance of a funneled energy landscape for the assembly and regulation of multidomain Src tyrosine kinases

    OpenAIRE

    Faraldo-Gómez, José D.; Roux, Benoît

    2007-01-01

    Regulation of signaling pathways in the cell often involves multidomain allosteric enzymes that are able to adopt alternate active or inactive conformations in response to specific stimuli. It is therefore of great interest to elucidate the energetic and structural determinants that govern the conformational plasticity of these proteins. In this study, free-energy computations have been used to address this fundamental question, focusing on one important family of signaling enzymes, the Src t...

  2. Energy-correction photon counting pixel for photon energy extraction under pulse pile-up

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Daehee; Park, Kyungjin; Lim, Kyung Taek; Cho, Gyuseong, E-mail: gscho@kaist.ac.kr

    2017-06-01

    A photon counting detector (PCD) has been proposed as an alternative solution to an energy-integrating detector (EID) in medical imaging field due to its high resolution, high efficiency, and low noise. The PCD has expanded to variety of fields such as spectral CT, k-edge imaging, and material decomposition owing to its capability to count and measure the number and the energy of an incident photon, respectively. Nonetheless, pulse pile-up, which is a superimposition of pulses at the output of a charge sensitive amplifier (CSA) in each PC pixel, occurs frequently as the X-ray flux increases due to the finite pulse processing time (PPT) in CSAs. Pulse pile-up induces not only a count loss but also distortion in the measured X-ray spectrum from each PC pixel and thus it is a main constraint on the use of PCDs in high flux X-ray applications. To minimize these effects, an energy-correction PC (ECPC) pixel is proposed to resolve pulse pile-up without cutting off the PPT by adding an energy correction logic (ECL) via a cross detection method (CDM). The ECPC pixel with a size of 200×200 µm{sup 2} was fabricated by using a 6-metal 1-poly 0.18 µm CMOS process with a static power consumption of 7.2 μW/pixel. The maximum count rate of the ECPC pixel was extended by approximately three times higher than that of a conventional PC pixel with a PPT of 500 nsec. The X-ray spectrum of 90 kVp, filtered by 3 mm Al filter, was measured as the X-ray current was increased using the CdTe and the ECPC pixel. As a result, the ECPC pixel dramatically reduced the energy spectrum distortion at 2 Mphotons/pixel/s when compared to that of the ERCP pixel with the same 500 nsec PPT.

  3. Landscape & Imagination: riflettere insieme

    Directory of Open Access Journals (Sweden)

    Mariella Zoppi

    2015-10-01

    Full Text Available In Paris, at La Villette University, was four-days of debate on 2-4 Mai 2013, in which faculty members of all the world discussed on methods and experiences in teaching landscape. The conference was organized in multiple sessions: history, theories, representation, process, science and governance. All the fields discussed were related to the main problem of the identity of territories in the landscape project -from the theories to the practices- and applied in a very large range of different situations: from the rural world between conservation and transformations to the coastal areas under the pressure of tourism, from the ecology in the city life renovation to the land use control and project by community and the emergency management in natural catastrophes.

  4. Under- and Over-Reporting of Energy Intake in Slovenian Adolescents

    Science.gov (United States)

    Kobe, Helena; Krzisnik, Ciril; Mis, Natasa Fidler

    2012-01-01

    Objective: To examine under- and over-reporting of energy intake (EI) among adolescents and to compare relative food and nutrient intakes of under-reporters (UR), over-reporters (OR), and the whole population to acceptable reporters (AR). Design: All adolescents completed food frequency questionnaires at regional health centers, and a subgroup…

  5. 76 FR 36891 - Guidelines for Determining Probability of Causation Under the Energy Employees Occupational...

    Science.gov (United States)

    2011-06-23

    ... DEPARTMENT OF HEALTH AND HUMAN SERVICES 42 CFR Part 81 [Docket Number NIOSH-0209] RIN 0920-AA39 Guidelines for Determining Probability of Causation Under the Energy Employees Occupational Illness...: HHS published a proposed rule entitled ``Guidelines for Determining Probability of Causation Under the...

  6. Theoretical analysis, infrared and structural investigations of energy dissipation in metals under cyclic loading

    International Nuclear Information System (INIS)

    Plekhov, O.A.; Saintier, N.; Palin-Luc, T.; Uvarov, S.V.; Naimark, O.B.

    2007-01-01

    The infrared and structural investigations of energy dissipation processes in metals subjected to cyclic loading have given impetus to the development of a new thermodynamic model with the capability of describing the energy balance under plastic deformation. The model is based on the statistical description of the mesodefect ensemble evolution and its influence on the dissipation ability of the material. Constitutive equations have been formulated for plastic and structural strains, which allow us to describe the stored and dissipated parts of energy under plastic flow. Numerical results indicate that theoretical predictions are in good agreement with the experimentally observed temperature data

  7. Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structure; NREL (National Renewable Energy Laboratory)

    Energy Technology Data Exchange (ETDEWEB)

    Ruth, M.; Pratt, A.; Lunacek, M.; Mittal, S.; Wu, H.; Jones, W.

    2015-06-15

    The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is not well understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load. used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load.

  8. Optimization under uncertainty of a biomass-integrated renewable energy microgrid with energy storage

    DEFF Research Database (Denmark)

    Zheng, Yingying; Jenkins, Bryan M.; Kornbluth, Kurt

    2018-01-01

    Deterministic constrained optimization and stochastic optimization approaches were used to evaluate uncertainties in biomass-integrated microgrids supplying both electricity and heat. An economic linear programming model with a sliding time window was developed to assess design and scheduling...... of biomass combined heat and power (BCHP) based microgrid systems. Other available technologies considered within the microgrid were small-scale wind turbines, photovoltaic modules (PV), producer gas storage, battery storage, thermal energy storage and heat-only boilers. As an illustrative example, a case...... study was examined for a conceptual utility grid-connected microgrid application in Davis, California. The results show that for the assumptions used, a BCHP/PV with battery storage combination is the most cost effective design based on the assumed energy load profile, local climate data, utility tariff...

  9. Enhancing the Simplified Surface Energy Balance (SSEB) Approach for Estimating Landscape ET: Validation with the METRIC model

    Science.gov (United States)

    Senay, Gabriel B.; Budde, Michael E.; Verdin, James P.

    2011-01-01

    Evapotranspiration (ET) can be derived from satellite data using surface energy balance principles. METRIC (Mapping EvapoTranspiration at high Resolution with Internalized Calibration) is one of the most widely used models available in the literature to estimate ET from satellite imagery. The Simplified Surface Energy Balance (SSEB) model is much easier and less expensive to implement. The main purpose of this research was to present an enhanced version of the Simplified Surface Energy Balance (SSEB) model and to evaluate its performance using the established METRIC model. In this study, SSEB and METRIC ET fractions were compared using 7 Landsat images acquired for south central Idaho during the 2003 growing season. The enhanced SSEB model compared well with the METRIC model output exhibiting an r2 improvement from 0.83 to 0.90 in less complex topography (elevation less than 2000 m) and with an improvement of r2 from 0.27 to 0.38 in more complex (mountain) areas with elevation greater than 2000 m. Independent evaluation showed that both models exhibited higher variation in complex topographic regions, although more with SSEB than with METRIC. The higher ET fraction variation in the complex mountainous regions highlighted the difficulty of capturing the radiation and heat transfer physics on steep slopes having variable aspect with the simple index model, and the need to conduct more research. However, the temporal consistency of the results suggests that the SSEB model can be used on a wide range of elevation (more successfully up 2000 m) to detect anomalies in space and time for water resources management and monitoring such as for drought early warning systems in data scarce regions. SSEB has a potential for operational agro-hydrologic applications to estimate ET with inputs of surface temperature, NDVI, DEM and reference ET.

  10. Micro-size cogeneration plants and virtual power plants. New energy landscapes; Mikro-KWK und virtuelle Kraftwerke. Neue Energielandschaften

    Energy Technology Data Exchange (ETDEWEB)

    Roon, Serafin von [Forschungsstelle fuer Energiewirtschaft e.V., Muenchen (Germany)

    2009-07-01

    Combined heat and power generation is an established technology. With micro-size cogeneration units, the technology is now available to private single or multiple dwellings and for decentral power supply of residential blocks. With the right political boundary conditions and integrated into virtual power stations, this is an option for enhanced use of renewable energy sources and for decentral, flexible and climate-friendly heat and power generation in buildings. Economic efficiency analyses by experts, high utilisation rates, innovative developments of the manufacturers and a positive public image are all in favour of a great future for micro-size cogeneration units. (orig.)

  11. An Under-the-Table Leg-Movement Apparatus and Changes in Energy Expenditure

    Directory of Open Access Journals (Sweden)

    Gabriel A. Koepp

    2017-05-01

    Full Text Available Introduction: Deskwork contributes substantially to sedentariness. Here, we evaluated an under-the-table apparatus that was designed to promote leg movement (fidgeting while seated. Our hypothesis was that the under-the-table apparatus would increase energy expenditure.Methods: We measured energy expenditure and heart rate in 26 people while they sat and worked using a standard chair, walked on a treadmill, and sat and worked using an under-the-desk apparatus that encouraged leg movement.Results: Energy expenditure increased significantly while using the under-the-table apparatus when compared to the standard office chair (standard chair, 81 ± 18 kcal/h; under-the-table apparatus, 96 ± 23 kcal/h (P < 0.001; representing an 18 ± 16% increase. The changes in energy expenditure were not as great as walking (1 mph, 168 ± 46 kcal/h, P < 0.001; 2 mph, 205 ± 51 kcal/, P < 0.001, representing 107 ± 37% and 155 ± 48% increases over baseline, respectively.Conclusions: An under-the-table apparatus that promotes leg movement can increase energy expenditure by approximately 20%. Dynamic sitting is promoted by this apparatus and may be among a lexicon of options to help people move more while seated at work.

  12. Spin wave mode coexistence on the nanoscale: A consequence of the Oersted field induced asymmetric energy landscape

    Science.gov (United States)

    Dumas, Randy

    2014-03-01

    The emerging field of magnonics relies on the systematic generation, manipulation, and detection of spin waves (SWs). Nanocontact spin torque oscillators (NC-STOs) provide an ideal platform to study spin transfer torque induced SW emission. In analogy to two species competing for the same food supply it has been argued that only one SW mode can survive in the steady state. However, as evidenced in many experiments clear signatures of mode-hopping are often observed. Here, we present a third possibility, namely that under the correct experimental conditions, mode coexistencecan be realized in NC-STOs. Micromagnetic simulations reveal that the SW modes are spatially separated under the NC. Mode coexistence is facilitated by the local field asymmetries induced by the spatially inhomogeneous Oersted field in the vicinity of the NC and further promoted by SW localization. Finally, both simulation and experiment reveal a weak low frequency signal exactly at the difference of the mode frequencies, consistent with inter-modulation of two coexistent modes. The Swedish Research Council, The Swedish Foundation for Strategic Research, and the Knut and Alice Wallenberg Foundation are acknowledged. ANL is a US DOE Science Laboratory operated under contract no. DE-AC02-06CH11357 by UChicago Argonne, LLC.

  13. Energy efficiency to reduce residential electricity and natural gas use under climate change.

    Science.gov (United States)

    Reyna, Janet L; Chester, Mikhail V

    2017-05-15

    Climate change could significantly affect consumer demand for energy in buildings, as changing temperatures may alter heating and cooling loads. Warming climates could also lead to the increased adoption and use of cooling technologies in buildings. We assess residential electricity and natural gas demand in Los Angeles, California under multiple climate change projections and investigate the potential for energy efficiency to offset increased demand. We calibrate residential energy use against metered data, accounting for differences in building materials and appliances. Under temperature increases, we find that without policy intervention, residential electricity demand could increase by as much as 41-87% between 2020 and 2060. However, aggressive policies aimed at upgrading heating/cooling systems and appliances could result in electricity use increases as low as 28%, potentially avoiding the installation of new generation capacity. We therefore recommend aggressive energy efficiency, in combination with low-carbon generation sources, to offset projected increases in residential energy demand.

  14. Greenhouse gas emissions of an agro-biogas energy system: Estimation under the Renewable Energy Directive

    Energy Technology Data Exchange (ETDEWEB)

    Rana, Roberto, E-mail: roberto.rana@unifg.it; Ingrao, Carlo; Lombardi, Mariarosaria; Tricase, Caterina

    2016-04-15

    Agro-biogas from energy crops and by-products is a renewable energy carrier that can potentially contribute to climate change mitigation. In this context, application of the methodology defined by the Renewable Energy Directive 2009/28/EC (RED) was performed in order to estimate the 100-year Global Warming Potential (GWP{sub 100}) associated with an agro-biogas supply chain (SC) in Southern Italy. Doing so enabled calculation of Greenhouse Gas (GHG) emission saving in order to verify if it is at least equal to 35% compared to the fossil fuel reference system, as specified by the RED. For the assessment, an attributional Life Cycle Assessment (LCA) approach (International Organization for Standardization (ISO), 2006a,b) was integrated with the RED methodology applied following the guidelines reported in COM(2010)11 and updated by SWD(2014)259 and Report EUR 27215 EN (2015). Moreover, primary data were collected with secondary data extrapolated from the Ecoinvent database system. Results showed that the GWP{sub 100} associated with electricity production through the biogas plant investigated was equal to 111.58 g CO{sub 2eq} MJ{sub e}{sup −1} and so a 40.01% GHG-emission saving was recorded compared to the RED reference. The highest contribution comes from biomass production and, in particular, from crop cultivation due to production of ammonium nitrate in the overall amount used for crop cultivation. Based upon the findings of the study, the GHG saving calculated slightly exceeds the related minimum proposed by the RED: therefore, improvements are needed anyway. In particular, the authors documented that through replacement of ammonium nitrate with urea the GHG-emission saving would increase to almost 68%, thus largely satisfying the RED limit. In addition, the study highlighted that conservation practices, such as NT, can significantly enable reduction of the GHG-emissions coming from agricultural activities. Therefore, those practices should be increasingly

  15. Greenhouse gas emissions of an agro-biogas energy system: Estimation under the Renewable Energy Directive.

    Science.gov (United States)

    Rana, Roberto; Ingrao, Carlo; Lombardi, Mariarosaria; Tricase, Caterina

    2016-04-15

    Agro-biogas from energy crops and by-products is a renewable energy carrier that can potentially contribute to climate change mitigation. In this context, application of the methodology defined by the Renewable Energy Directive 2009/28/EC (RED) was performed in order to estimate the 100-year Global Warming Potential (GWP100) associated with an agro-biogas supply chain (SC) in Southern Italy. Doing so enabled calculation of Greenhouse Gas (GHG) emission saving in order to verify if it is at least equal to 35% compared to the fossil fuel reference system, as specified by the RED. For the assessment, an attributional Life Cycle Assessment (LCA) approach (International Organization for Standardization (ISO), 2006a,b) was integrated with the RED methodology applied following the guidelines reported in COM(2010)11 and updated by SWD(2014)259 and Report EUR 27215 EN (2015). Moreover, primary data were collected with secondary data extrapolated from the Ecoinvent database system. Results showed that the GWP100 associated with electricity production through the biogas plant investigated was equal to 111.58gCO2eqMJe(-1) and so a 40.01% GHG-emission saving was recorded compared to the RED reference. The highest contribution comes from biomass production and, in particular, from crop cultivation due to production of ammonium nitrate in the overall amount used for crop cultivation. Based upon the findings of the study, the GHG saving calculated slightly exceeds the related minimum proposed by the RED: therefore, improvements are needed anyway. In particular, the authors documented that through replacement of ammonium nitrate with urea the GHG-emission saving would increase to almost 68%, thus largely satisfying the RED limit. In addition, the study highlighted that conservation practices, such as NT, can significantly enable reduction of the GHG-emissions coming from agricultural activities. Therefore, those practices should be increasingly adopted for cultivation of energy

  16. LANDSCAPE PLANNING IN UKRAINE: THE FIRST LANDSCAPE-PLANNING PROGRAM

    Directory of Open Access Journals (Sweden)

    Leonid Rudenko

    2013-01-01

    Full Text Available The paper presents the results of the first, in Ukraine; project on landscape planning widely accepted in European countries. Under the project implemented in 2010–2013, a landscape-planning program has been developed for the Cherkassy oblast. This is the first document of this kind in Ukraine. The program is mainly based on the experience of the German and Russian schools of landscape planning and on research and assessment conducted by the authors, which allowed identifying approaches to landscape planning, principles of the national policy, and characteristics and potential of environmentally friendly planning in Ukraine. The paper discusses the main phases of the work on the development of the landscape program for the oblast. It also identifies the main stages and key concepts and principles of landscape planning. The paper presents the results of integrated research on the identification and classification of conflicts in land use and the integral concept of the developmental goals for the oblast. The results can be the foundation for adopting management decisions and development of action plans for the lower hierarchal branches.

  17. Legislative Framework for Landscape Planning in Latvia

    Science.gov (United States)

    Nitavska, Natalija; Zigmunde, Daiga

    2017-10-01

    With the adoption and the ratification of the European Landscape Convention a legally justified need for a clear landscape policy was grounded in the European countries. It includes the elaboration of the new and the improvement of the existing legislative documents on landscape planning, protection and management. The aim of the particular study is to analyse the existing legislative documents in Latvia influencing landscape planning on different scales / and the implementation of the European Landscape Convention. The study emphasizes the complex structure of the Latvian legislative framework affected by the distribution of the normative documents under the various ministries. Therefore, the main problem is unclear responsibility levels and organizational system for solving the issues regarding landscape planning, protection and management. Thus the various discussions between the involved disciplines and responsible institutions are arising. Two groups of the legislative documents influencing the implementation of the landscape policy in Latvia are detected within the study. The first group is strategic documents determining main landscape planning principles and directions at European, national, regional and professional or sectoral level. The second group is operational documents providing a set of actions for the landscape planning, protection and management at the local or the municipality level. The study concludes that operational documents developed by the municipalities are in high importance because of their direct influence on the landscape planning in Latvia. This often leads to the different landscape planning requirements included in the normative documents of the neighbouring municipalities, although the spatial and ecological borders of the visual landscape do not fit with the formal borders of the municipalities. Thus, it is essential to develop the common principles and actions that would be incumbent on all municipalities to provide the

  18. Characteristics of Crushing Energy and Fractal of Magnetite Ore under Uniaxial Compression

    Science.gov (United States)

    Gao, F.; Gan, D. Q.; Zhang, Y. B.

    2018-03-01

    The crushing mechanism of magnetite ore is a critical theoretical problem on the controlling of energy dissipation and machine crushing quality in ore material processing. Uniaxial crushing tests were carried out to research the deformation mechanism and the laws of the energy evolution, based on which the crushing mechanism of magnetite ore was explored. The compaction stage and plasticity and damage stage are two main compression deformation stages, the main transitional forms from inner damage to fracture are plastic deformation and stick-slip. In the process of crushing, plasticity and damage stage is the key link on energy absorption for that the specimen tends to saturate energy state approaching to the peak stress. The characteristics of specimen deformation and energy dissipation can synthetically reply the state of existed defects inner raw magnetite ore and the damage process during loading period. The fast releasing of elastic energy and the work done by the press machine commonly make raw magnetite ore thoroughly broken after peak stress. Magnetite ore fragments have statistical self-similarity and size threshold of fractal characteristics under uniaxial squeezing crushing. The larger ratio of releasable elastic energy and dissipation energy and the faster energy change rate is the better fractal properties and crushing quality magnetite ore has under uniaxial crushing.

  19. On the importance of a funneled energy landscape for the assembly and regulation of multidomain Src tyrosine kinases.

    Science.gov (United States)

    Faraldo-Gómez, José D; Roux, Benoît

    2007-08-21

    Regulation of signaling pathways in the cell often involves multidomain allosteric enzymes that are able to adopt alternate active or inactive conformations in response to specific stimuli. It is therefore of great interest to elucidate the energetic and structural determinants that govern the conformational plasticity of these proteins. In this study, free-energy computations have been used to address this fundamental question, focusing on one important family of signaling enzymes, the Src tyrosine kinases. Inactivation of these enzymes depends on the formation of an assembly comprising a tandem of SH3 and SH2 modules alongside a catalytic domain. Activation results from the release of the SH3 and SH2 domains, which are then believed to be structurally uncoupled by virtue of a flexible peptide link. In contrast to this view, this analysis shows that inactivation depends critically on the intrinsic propensity of the SH3-SH2 tandem to adopt conformations that are conducive to the assembled inactive state, even when no interactions with the rest of the kinase are possible. This funneling of the available conformational space is encoded within the SH3-SH2 connector, which appears to have evolved to modulate the flexibility of the tandem in solution. To further substantiate this notion, we show how constitutively activating mutations in the SH3-SH2 connector shift the assembly equilibrium toward the disassembled, active state. Based on a similar analysis of several constructs of the kinase complex, we propose that assembly is characterized by the progressive optimization of the protein's conformational energy, with little or no energetic frustration.

  20. Stochastic Ratcheting on a Funneled Energy Landscape Is Necessary for Highly Efficient Contractility of Actomyosin Force Dipoles

    Science.gov (United States)

    Komianos, James E.; Papoian, Garegin A.

    2018-04-01

    Current understanding of how contractility emerges in disordered actomyosin networks of nonmuscle cells is still largely based on the intuition derived from earlier works on muscle contractility. In addition, in disordered networks, passive cross-linkers have been hypothesized to percolate force chains in the network, hence, establishing large-scale connectivity between local contractile clusters. This view, however, largely overlooks the free energy of cross-linker binding at the microscale, which, even in the absence of active fluctuations, provides a thermodynamic drive towards highly overlapping filamentous states. In this work, we use stochastic simulations and mean-field theory to shed light on the dynamics of a single actomyosin force dipole—a pair of antiparallel actin filaments interacting with active myosin II motors and passive cross-linkers. We first show that while passive cross-linking without motor activity can produce significant contraction between a pair of actin filaments, driven by thermodynamic favorability of cross-linker binding, a sharp onset of kinetic arrest exists at large cross-link binding energies, greatly diminishing the effectiveness of this contractility mechanism. Then, when considering an active force dipole containing nonmuscle myosin II, we find that cross-linkers can also serve as a structural ratchet when the motor dissociates stochastically from the actin filaments, resulting in significant force amplification when both molecules are present. Our results provide predictions of how actomyosin force dipoles behave at the molecular level with respect to filament boundary conditions, passive cross-linking, and motor activity, which can explicitly be tested using an optical trapping experiment.

  1. Stochastic Ratcheting on a Funneled Energy Landscape Is Necessary for Highly Efficient Contractility of Actomyosin Force Dipoles

    Directory of Open Access Journals (Sweden)

    James E. Komianos

    2018-04-01

    Full Text Available Current understanding of how contractility emerges in disordered actomyosin networks of nonmuscle cells is still largely based on the intuition derived from earlier works on muscle contractility. In addition, in disordered networks, passive cross-linkers have been hypothesized to percolate force chains in the network, hence, establishing large-scale connectivity between local contractile clusters. This view, however, largely overlooks the free energy of cross-linker binding at the microscale, which, even in the absence of active fluctuations, provides a thermodynamic drive towards highly overlapping filamentous states. In this work, we use stochastic simulations and mean-field theory to shed light on the dynamics of a single actomyosin force dipole—a pair of antiparallel actin filaments interacting with active myosin II motors and passive cross-linkers. We first show that while passive cross-linking without motor activity can produce significant contraction between a pair of actin filaments, driven by thermodynamic favorability of cross-linker binding, a sharp onset of kinetic arrest exists at large cross-link binding energies, greatly diminishing the effectiveness of this contractility mechanism. Then, when considering an active force dipole containing nonmuscle myosin II, we find that cross-linkers can also serve as a structural ratchet when the motor dissociates stochastically from the actin filaments, resulting in significant force amplification when both molecules are present. Our results provide predictions of how actomyosin force dipoles behave at the molecular level with respect to filament boundary conditions, passive cross-linking, and motor activity, which can explicitly be tested using an optical trapping experiment.

  2. Role of nuclear fusion in future energy systems and the environment under future uncertainties

    International Nuclear Information System (INIS)

    Tokimatsu, Koji; Fujino, Jun'ichi; Konishi, Satoshi; Ogawa, Yuichi; Yamaji, Kenji

    2003-01-01

    Debates about whether or not to invest heavily in nuclear fusion as a future innovative energy option have been made within the context of energy technology development strategies. This is because the prospects for nuclear fusion are quite uncertain and the investments therefore carry the risk of quite large regrets, even though investment is needed in order to develop the technology. The timeframe by which nuclear fusion could become competitive in the energy market has not been adequately studied, nor has roles of the nuclear fusion in energy systems and the environment. The present study has two objectives. One is to reveal the conditions under which nuclear fusion could be introduced economically (hereafter, we refer to such introductory conditions as breakeven prices) in future energy systems. The other objective is to evaluate the future roles of nuclear fusion in energy systems and in the environment. Here we identify three roles that nuclear fusion will take on when breakeven prices are achieved: (i) a portion of the electricity market in 2100, (ii) reduction of annual global total energy systems cost, and (iii) mitigation of carbon tax (shadow price of carbon) under CO 2 constraints. Future uncertainties are key issues in evaluating nuclear fusion. Here we treated the following uncertainties: energy demand scenarios, introduction timeframe for nuclear fusion, capacity projections of nuclear fusion, CO 2 target in 2100, capacity utilization ratio of options in energy/environment technologies, and utility discount rates. From our investigations, we conclude that the presently designed nuclear fusion reactors may be ready for economical introduction into energy systems beginning around 2050-2060, and we can confirm that the favorable introduction of the reactors would reduce both the annual energy systems cost and the carbon tax (the shadow price of carbon) under a CO 2 concentration constraint

  3. Effect of Groove Surface Texture on Tribological Characteristics and Energy Consumption under High Temperature Friction.

    Science.gov (United States)

    Wu, Wei; Chen, Guiming; Fan, Boxuan; Liu, Jianyou

    2016-01-01

    Energy consumption and tribological properties could be improved by proper design of surface texture in friction. However, some literature focused on investigating their performance under high temperature. In the study, different groove surface textures were fabricated on steels by a laser machine, and their tribological behaviors were experimentally studied with the employment of the friction and wear tester under distinct high temperature and other working conditions. The friction coefficient was recorded, and wear performance were characterized by double light interference microscope, scanning electron microscope (SEM) and x-ray energy dispersive spectrometry (EDS). Then, the performances of energy consumptions were carefully estimated. Results showed that friction coefficient, wear, and energy consumption could almost all be reduced by most textures under high temperature conditions, but to a different extent which depends on the experimental conditions and texture parameters. The main improvement mechanisms were analyzed, such as the hardness change, wear debris storage, thermal stress release and friction induced temperature reduction by the textures. Finally, a scattergram of the relatively reduced ratio of the energy consumption was drawn for different surface textures under four distinctive experimental conditions to illustrate the comprehensive energy consumption improving ability of textures, which was of benefit for the application of texture design.

  4. Driving the Landscape

    Science.gov (United States)

    Haff, P. K.

    2012-12-01

    Technological modification of the earth's surface (e.g., agriculture, urbanization) is an old story in human history, but what about the future? The future of landscape in an accelerating technological world, beyond a relatively short time horizon, lies hidden behind an impenetrable veil of complexity. Sufficiently complex dynamics generates not only the trajectory of a variable of interest (e.g., vegetation cover) but also the environment in which that variable evolves (e.g., background climate). There is no way to anticipate what variables will define that environment—the dynamics creates its own variables. We are always open to surprise by a change of conditions we thought or assumed were fixed or by the appearance of new phenomena of whose possible existence we had been unaware or thought unlikely. This is especially true under the influence of technology, where novelty is the rule. Lack of direct long-term predictability of landscape change does not, however, mean we cannot say anything about its future. The presence of persistence (finite time scales) in a system means that prediction by a calibrated numerical model should be good for a limited period of time barring bad luck or faulty implementation. Short-term prediction, despite its limitations, provides an option for dealing with the longer-term future. If a computer-controlled car tries to drive itself from New York to Los Angeles, no conceivable (or possible) stand-alone software can be constructed to predict a priori the space-time trajectory of the vehicle. Yet the drive is normally completed easily by most drivers. The trip is successfully completed because each in a series of very short (linear) steps can be "corrected" on the fly by the driver, who takes her cues from the environment to keep the car on the road and headed toward its destination. This metaphor differs in a fundamental way from the usual notion of predicting geomorphic change, because it involves a goal—to reach a desired

  5. Energy Saving Potential of PCMs in Buildings under Future Climate Conditions

    Directory of Open Access Journals (Sweden)

    Abdo Abdullah Ahmed Gassar

    2017-11-01

    Full Text Available Energy consumption reduction under changing climate conditions is a major challenge in buildings design, where excessive energy consumption creates an economic and environmental burden. Improving thermal performance of the buildings through support applying phase change material (PCM is a promising strategy for reducing building energy consumption under future climate change. Therefore, this study aims to investigate the energy saving potentials in buildings under future climate conditions in the humid and snowy regions in the hot continental and humid subtropical climates of the east Asia (Seoul, Tokyo and Hong Kong when various PCMs with different phase change temperatures are applied to a lightweight building envelope. Methodology in this work is implemented in two phases: firstly, investigation of energy saving potentials in buildings through inclusion of three types of PCMs with different phase temperatures into the building envelop separately and use weather file in the present (2017; and, secondly, evaluation of the effect of future climate change on the performance of PCMs by analyzing energy saving potentials of PCMs with 2020, 2050 and 2080 weather data. The results show that the inclusion of PCM into the building envelope is a promising strategy to increase the energy performance in buildings during both heating and cooling seasons in Seoul, Tokyo and Hong Kong under future climate conditions. The energy savings achieved by using PCMs in those regions are electricity savings of 4.48–8.21%, 3.81–9.69%, and 1.94–5.15%, and gas savings of 1.65–16.59%, 7.60–61.76%, and 62.07–93.33% in Seoul, Tokyo and Hong Kong, respectively, for the years 2017, 2020, 2050 and 2080. In addition, BioPCM and RUBITHERMPCM are the most efficient for improving thermal performance and saving energy in buildings in the tested regions and years.

  6. Transition in the decay rates of stationary distributions of Lévy motion in an energy landscape.

    Science.gov (United States)

    Kaleta, Kamil; Lőrinczi, József

    2016-02-01

    The time evolution of random variables with Lévy statistics has the ability to develop jumps, displaying very different behaviors from continuously fluctuating cases. Such patterns appear in an ever broadening range of examples including random lasers, non-Gaussian kinetics, or foraging strategies. The penalizing or reinforcing effect of the environment, however, has been little explored so far. We report a new phenomenon which manifests as a qualitative transition in the spatial decay behavior of the stationary measure of a jump process under an external potential, occurring on a combined change in the characteristics of the process and the lowest eigenvalue resulting from the effect of the potential. This also provides insight into the fundamental question of what is the mechanism of the spatial decay of a ground state.

  7. Transition in the decay rates of stationary distributions of Lévy motion in an energy landscape

    Science.gov (United States)

    Kaleta, Kamil; Lőrinczi, József

    2016-02-01

    The time evolution of random variables with Lévy statistics has the ability to develop jumps, displaying very different behaviors from continuously fluctuating cases. Such patterns appear in an ever broadening range of examples including random lasers, non-Gaussian kinetics, or foraging strategies. The penalizing or reinforcing effect of the environment, however, has been little explored so far. We report a new phenomenon which manifests as a qualitative transition in the spatial decay behavior of the stationary measure of a jump process under an external potential, occurring on a combined change in the characteristics of the process and the lowest eigenvalue resulting from the effect of the potential. This also provides insight into the fundamental question of what is the mechanism of the spatial decay of a ground state.

  8. 10 CFR 70.11 - Persons using special nuclear material under certain Department of Energy and Nuclear Regulatory...

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 2 2010-01-01 2010-01-01 false Persons using special nuclear material under certain Department of Energy and Nuclear Regulatory Commission contracts. 70.11 Section 70.11 Energy NUCLEAR... using special nuclear material under certain Department of Energy and Nuclear Regulatory Commission...

  9. 10 CFR 30.12 - Persons using byproduct material under certain Department of Energy and Nuclear Regulatory...

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Persons using byproduct material under certain Department of Energy and Nuclear Regulatory Commission contracts. 30.12 Section 30.12 Energy NUCLEAR REGULATORY... Persons using byproduct material under certain Department of Energy and Nuclear Regulatory Commission...

  10. Operation of a wind turbine-flywheel energy storage system under conditions of stochastic change of wind energy.

    Science.gov (United States)

    Tomczewski, Andrzej

    2014-01-01

    The paper presents the issues of a wind turbine-flywheel energy storage system (WT-FESS) operation under real conditions. Stochastic changes of wind energy in time cause significant fluctuations of the system output power and as a result have a negative impact on the quality of the generated electrical energy. In the author's opinion it is possible to reduce the aforementioned effects by using an energy storage of an appropriate type and capacity. It was assumed that based on the technical parameters of a wind turbine-energy storage system and its geographical location one can determine the boundary capacity of the storage, which helps prevent power cuts to the grid at the assumed probability. Flywheel energy storage was selected due to its characteristics and technical parameters. The storage capacity was determined based on an empirical relationship using the results of the proposed statistical and energetic analysis of the measured wind velocity courses. A detailed algorithm of the WT-FESS with the power grid system was developed, eliminating short-term breaks in the turbine operation and periods when the wind turbine power was below the assumed level.

  11. Energy Evolution Mechanism and Confining Pressure Effect of Granite under Triaxial Loading-Unloading Cycles

    Science.gov (United States)

    Wang, Hao; Miao, Sheng-jun

    2018-05-01

    Rock mass undergoes some deformational failure under the action of external loads, a process known to be associated with energy dissipation and release. A triaxial loading-unloading cycle test was conducted on granite in order to investigate the energy evolution pattern of rock mass under the action of external loads. The study results demonstrated: (1) The stress peaks increased by 50% and 22% respectively and the pre-peak weakening became more apparent in the ascending process of the confining pressure from 10MPa to 30MPa; the area enclosed by the hysteresis loop corresponding to 30MPa diminished by nearly 60% than that corresponding to 10MPa, indicating a higher confining pressure prohibits rock mass from plastic deformation and shifts strain toward elastic deformation. (2) In the vicinity of the strength limit, the slope of dissipation energy increased to 1.6 from the original 0.7 and the dissipation energy grew at an accelerating rate, demonstrating stronger propagation and convergence of internal cracks. (3) At a pressure of 70% of the stress peak, the elastic energy of the granite accounted for 88% of its peak value, suggesting the rock mechanical energy from the outside mostly changes into the elastic energy inside the rock, with little energy loss.(4) Prior to test specimen failure, the axial bearing capacity dropped with a decreasing confining pressure in an essentially linear way, and the existence of confirming pressure played a role in stabilizing the axial bearing capacity.

  12. China's energy consumption under the global economic crisis: Decomposition and sectoral analysis

    International Nuclear Information System (INIS)

    Li, Fangyi; Song, Zhouying; Liu, Weidong

    2014-01-01

    It is now widely recognized that there is a strong relationship between energy consumption and economic growth. Most countries′ energy demands declined during the economic depression of 2008–2009 when a worldwide economic crisis occurred. As an export-oriented economy, China suffered a serious exports decline in the course of the crisis. However, it was found that energy consumption continued to increase. Against such a background, this paper aims to assess and explain the factors causing the growth of energy consumption in China. First, we will explain the impact of domestic final use and international trade on energy consumption by using decomposition analysis. Second, embodied energy and its variation across sectors are quantified to identify the key sectors contributing to the growth. Lastly, the policy implications for long-term energy conservation are discussed. The results show that the decline in exports was one of the driving forces for energy consumption reduction in the crisis, but that the growth of domestic demand in manufacturing and construction, largely stimulated by economic stimulus plans, had the opposite effect on energy consumption. International trade contributed to decreasing energy consumption of China during and after the crisis because the structure of exports and imports changed in this period. - Highlights: • We analyze the reasons for China's energy consumption change under the global economic crisis during 2007–2010. • Domestic final use growth, especially in construction and manufacturing of machinery and equipment, resulted in energy consumption increase. • International trade is identified as a driver of energy consumption reduction during and after the crisis. • Increasing China's share of consumption or reducing its share of investment in the GDP can reduce national energy intensity

  13. Renewable energy investments under different support schemes: A real options approach

    DEFF Research Database (Denmark)

    Boomsma, Trine Krogh; Meade, Nigel; Fleten, Stein-Erik

    2012-01-01

    -in tariff encourages earlier investment. Nevertheless, as investment has been undertaken, renewable energy certificate trading creates incentives for larger projects. In our baseline scenario and taking the fixed feed-in tariff as a base, the revenue required to trigger investments is 61% higher......This paper adopts a real options approach to analyze investment timing and capacity choice for renewable energy projects under different support schemes. The main purpose is to examine investment behavior under the most extensively employed support schemes, namely, feed-in tariffs and renewable...... energy certificate trading. We consider both multiple sources of uncertainty under each support scheme and uncertainty with respect to any change of support scheme, and we obtain both analytical (when possible) and numerical solutions. In a Nordic case study based on wind power, we find that the feed...