Comparative Evaluation of Energy Measurement Models for Transit Systems

DOT National Transportation Integrated Search

1984-02-01

Recent advances in solid state control technology have led to chopper-controlled propulsion systems in urban rail transit applications. Such systems offer the potential for superior train performance through increased train propulsion efficiency and ...

State feedback control design for Boolean networks.

PubMed

Liu, Rongjie; Qian, Chunjiang; Liu, Shuqian; Jin, Yu-Fang

2016-08-26

Driving Boolean networks to desired states is of paramount significance toward our ultimate goal of controlling the progression of biological pathways and regulatory networks. Despite recent computational development of controllability of general complex networks and structural controllability of Boolean networks, there is still a lack of bridging the mathematical condition on controllability to real boolean operations in a network. Further, no realtime control strategy has been proposed to drive a Boolean network. In this study, we applied semi-tensor product to represent boolean functions in a network and explored controllability of a boolean network based on the transition matrix and time transition diagram. We determined the necessary and sufficient condition for a controllable Boolean network and mapped this requirement in transition matrix to real boolean functions and structure property of a network. An efficient tool is offered to assess controllability of an arbitrary Boolean network and to determine all reachable and non-reachable states. We found six simplest forms of controllable 2-node Boolean networks and explored the consistency of transition matrices while extending these six forms to controllable networks with more nodes. Importantly, we proposed the first state feedback control strategy to drive the network based on the status of all nodes in the network. Finally, we applied our reachability condition to the major switch of P53 pathway to predict the progression of the pathway and validate the prediction with published experimental results. This control strategy allowed us to apply realtime control to drive Boolean networks, which could not be achieved by the current control strategy for Boolean networks. Our results enabled a more comprehensive understanding of the evolution of Boolean networks and might be extended to output feedback control design.

A Closed-Loop Model of Operator Visual Attention, Situation Awareness, and Performance Across Automation Mode Transitions.

PubMed

Johnson, Aaron W; Duda, Kevin R; Sheridan, Thomas B; Oman, Charles M

2017-03-01

This article describes a closed-loop, integrated human-vehicle model designed to help understand the underlying cognitive processes that influenced changes in subject visual attention, mental workload, and situation awareness across control mode transitions in a simulated human-in-the-loop lunar landing experiment. Control mode transitions from autopilot to manual flight may cause total attentional demands to exceed operator capacity. Attentional resources must be reallocated and reprioritized, which can increase the average uncertainty in the operator's estimates of low-priority system states. We define this increase in uncertainty as a reduction in situation awareness. We present a model built upon the optimal control model for state estimation, the crossover model for manual control, and the SEEV (salience, effort, expectancy, value) model for visual attention. We modify the SEEV attention executive to direct visual attention based, in part, on the uncertainty in the operator's estimates of system states. The model was validated using the simulated lunar landing experimental data, demonstrating an average difference in the percentage of attention ≤3.6% for all simulator instruments. The model's predictions of mental workload and situation awareness, measured by task performance and system state uncertainty, also mimicked the experimental data. Our model supports the hypothesis that visual attention is influenced by the uncertainty in system state estimates. Conceptualizing situation awareness around the metric of system state uncertainty is a valuable way for system designers to understand and predict how reallocations in the operator's visual attention during control mode transitions can produce reallocations in situation awareness of certain states.

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

PubMed

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

2013-09-05

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

Epitaxial strain-mediated spin-state transitions: can we switch off magnetism?

NASA Astrophysics Data System (ADS)

Rondinelli, James; Spaldin, Nicola

2008-03-01

We use first-principles density functional theory calculations to explore spin-state transitions in epitaxially strained LaCoO3. While high-spin to low-spin state transitions in minerals are common in geophysics, where pressures can reach over 200 GPa, we explore whether heteroepitaxial strain can achieve similar transitions with moderate strain in thin films. LaCoO3 is known to undergo a low-spin (S=0, t2g^6eg^0) to intermediate-spin (S=1, t2g^5eg^1) or high-spin (S=2, t2g^4eg^2) state transition with increasing temperature, and thus makes it a promising candidate material for strain-mediated spin transitions. Here we discuss the physics of the low-spin transition and changes in the electronic structure of LaCoO3, most notably, the metal-insulator transition that accompanies the spin-state transitions with epitaxial strain. As thin film growth techniques continue to reach atomic-level precision, we suggest this is another approach for controlling magnetism in complex oxide heterostructures.

California's Transition to the Common Core State Standards: The State's Role in Local Capacity Building

ERIC Educational Resources Information Center

Warren, Paul; Murphy, Patrick

2014-01-01

The Common Core State Standards (CCSS) and the Local Control Funding Formula are introducing major changes to California's K-12 system. Implementation of new curricula and instruction is under way at the district level, but California started its transition relatively late and it has taken a more decentralized approach than most other states.…

Transition State Gauche Effects Control the Torquoselectivities of the Electrocyclizations of Chiral 1-Azatrienes.

PubMed

Patel, Ashay; Vella, Joseph R; Ma, Zhi-Xiong; Hsung, R P; Houk, K N

2015-12-04

Hsung et al. have reported a series of torquoselective electrocyclizations of chiral 1-azahexa-1E,3Z,5E-trienes that yield functionalized dihydropyridines. To understand the origins of the torquoselectivities of these azaelectrocyclizations, we modeled these electrocyclic ring closures using the M06-2X density functional. A new stereochemical model that rationalizes the observed 1,2 stereoinduction emerges from these computations. This model is an improvement and generalization of the "inside-alkoxy" model used to rationalize stereoselectivities of the 1,3-dipolar cycloaddition of chiral allyl ethers and emphasizes a stabilizing hyperconjugative effect, which we have termed a transition state gauche effect. This stereoelectronic effect controls the conformational preferences at the electrocyclization transition states, and only in one of the allowed disrotatory electrocyclization transition states is the ideal stereoelectronic arrangement achieved without the introduction of a steric clash. Computational experiments confirm the role of this effect as a stereodeterminant since substrates with electropositive groups and electronegative groups have different conformational preferences at the transition state and undergo ring closure with divergent stereochemical outcomes. This predicted reversal of stereoselectivity for the ring closures of several silyl substituted azatrienes have been demonstrated experimentally.

Control of atomic transition rates via laser-light shaping

NASA Astrophysics Data System (ADS)

Jáuregui, R.

2015-04-01

A modular systematic analysis of the feasibility of modifying atomic transition rates by tailoring the electromagnetic field of an external coherent light source is presented. The formalism considers both the center of mass and internal degrees of freedom of the atom, and all properties of the field: frequency, angular spectrum, and polarization. General features of recoil effects for internal forbidden transitions are discussed. A comparative analysis of different structured light sources is explicitly worked out. It includes spherical waves, Gaussian beams, Laguerre-Gaussian beams, and propagation invariant beams with closed analytical expressions. It is shown that increments in the order of magnitude of the transition rates for Gaussian and Laguerre-Gaussian beams, with respect to those obtained in the paraxial limit, require waists of the order of the wavelength, while propagation invariant modes may considerably enhance transition rates under more favorable conditions. For transitions that can be naturally described as modifications of the atomic angular momentum, this enhancement is maximal (within propagation invariant beams) for Bessel modes, Mathieu modes can be used to entangle the internal and center-of-mass involved states, and Weber beams suppress this kind of transition unless they have a significant component of odd modes. However, if a recoil effect of the transition with an adequate symmetry is allowed, the global transition rate (center of mass and internal motion) can also be enhanced using Weber modes. The global analysis presented reinforces the idea that a better control of the transitions between internal atomic states requires both a proper control of the available states of the atomic center of mass, and shaping of the background electromagnetic field.

Wafer-scale growth of VO2 thin films using a combinatorial approach

PubMed Central

Zhang, Hai-Tian; Zhang, Lei; Mukherjee, Debangshu; Zheng, Yuan-Xia; Haislmaier, Ryan C.; Alem, Nasim; Engel-Herbert, Roman

2015-01-01

Transition metal oxides offer functional properties beyond conventional semiconductors. Bridging the gap between the fundamental research frontier in oxide electronics and their realization in commercial devices demands a wafer-scale growth approach for high-quality transition metal oxide thin films. Such a method requires excellent control over the transition metal valence state to avoid performance deterioration, which has been proved challenging. Here we present a scalable growth approach that enables a precise valence state control. By creating an oxygen activity gradient across the wafer, a continuous valence state library is established to directly identify the optimal growth condition. Single-crystalline VO2 thin films have been grown on wafer scale, exhibiting more than four orders of magnitude change in resistivity across the metal-to-insulator transition. It is demonstrated that ‘electronic grade' transition metal oxide films can be realized on a large scale using a combinatorial growth approach, which can be extended to other multivalent oxide systems. PMID:26450653

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

NASA Astrophysics Data System (ADS)

Qi, Jingshan; Li, Xiao; Qian, Xiaofeng

2016-06-01

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z2 invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route to manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.

Christopher Chang | NREL

Science.gov Websites

transition metal systems, macromolecular dynamics, comparative chemical bonding analysis, electron transfer . Research Interests Dynamics and control on discrete structures, including excited-state transition metal

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

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

Qi, Jingshan, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu; Li, Xiao; Qian, Xiaofeng, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu

2016-06-20

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z{sub 2} invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route tomore » manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.« less

Stratification, segregation, and mixing of granular materials in quasi-two-dimensional bounded heaps.

PubMed

Fan, Yi; Boukerkour, Youcef; Blanc, Thibault; Umbanhowar, Paul B; Ottino, Julio M; Lueptow, Richard M

2012-11-01

Segregation and mixing of granular mixtures during heap formation has important consequences in industry and agriculture. This research investigates three different final particle configurations of bidisperse granular mixtures--stratified, segregated and mixed--during filling of quasi-two-dimensional silos. We consider a large number and wide range of control parameters, including particle size ratio, flow rate, system size, and heap rise velocity. The boundary between stratified and unstratified states is primarily controlled by the two-dimensional flow rate, with the critical flow rate for the transition depending weakly on particle size ratio and flowing layer length. In contrast, the transition from segregated to mixed states is controlled by the rise velocity of the heap, a control parameter not previously considered. The critical rise velocity for the transition depends strongly on the particle size ratio.

Metastable state en route to traveling-wave synchronization state

NASA Astrophysics Data System (ADS)

Park, Jinha; Kahng, B.

2018-02-01

The Kuramoto model with mixed signs of couplings is known to produce a traveling-wave synchronized state. Here, we consider an abrupt synchronization transition from the incoherent state to the traveling-wave state through a long-lasting metastable state with large fluctuations. Our explanation of the metastability is that the dynamic flow remains within a limited region of phase space and circulates through a few active states bounded by saddle and stable fixed points. This complex flow generates a long-lasting critical behavior, a signature of a hybrid phase transition. We show that the long-lasting period can be controlled by varying the density of inhibitory/excitatory interactions. We discuss a potential application of this transition behavior to the recovery process of human consciousness.

Control of the transition between Ni-C and Ni-SI(a) states by the redox state of the proximal Fe-S cluster in the catalytic cycle of [NiFe] hydrogenase.

PubMed

Tai, Hulin; Nishikawa, Koji; Suzuki, Masayuki; Higuchi, Yoshiki; Hirota, Shun

2014-12-08

[NiFe] hydrogenase catalyzes the reversible cleavage of H2. The electrons produced by the H2 cleavage pass through three Fe-S clusters in [NiFe] hydrogenase to its redox partner. It has been reported that the Ni-SI(a), Ni-C, and Ni-R states of [NiFe] hydrogenase are involved in the catalytic cycle, although the mechanism and regulation of the transition between the Ni-C and Ni-SI(a) states remain unrevealed. In this study, the FT-IR spectra under light irradiation at 138-198 K show that the Ni-L state of [NiFe] hydrogenase is an intermediate between the transition of the Ni-C and Ni-SI(a) states. The transition of the Ni-C state to the Ni-SI(a) state occurred when the proximal [Fe4S4]p(2+/+) cluster was oxidized, but not when it was reduced. These results show that the catalytic cycle of [NiFe] hydrogenase is controlled by the redox state of its [Fe4S4]p(2+/+) cluster, which may function as a gate for the electron flow from the NiFe active site to the redox partner. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast-kick-off monotonically convergent algorithm for searching optimal control fields

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

Liao, Sheng-Lun; Ho, Tak-San; Rabitz, Herschel

2011-09-15

This Rapid Communication presents a fast-kick-off search algorithm for quickly finding optimal control fields in the state-to-state transition probability control problems, especially those with poorly chosen initial control fields. The algorithm is based on a recently formulated monotonically convergent scheme [T.-S. Ho and H. Rabitz, Phys. Rev. E 82, 026703 (2010)]. Specifically, the local temporal refinement of the control field at each iteration is weighted by a fractional inverse power of the instantaneous overlap of the backward-propagating wave function, associated with the target state and the control field from the previous iteration, and the forward-propagating wave function, associated with themore » initial state and the concurrently refining control field. Extensive numerical simulations for controls of vibrational transitions and ultrafast electron tunneling show that the new algorithm not only greatly improves the search efficiency but also is able to attain good monotonic convergence quality when further frequency constraints are required. The algorithm is particularly effective when the corresponding control dynamics involves a large number of energy levels or ultrashort control pulses.« less

31 CFR 545.404 - Transshipment or transit through the United States prohibited.

Code of Federal Regulations, 2010 CFR

2010-07-01

... (AFGHANISTAN) SANCTIONS REGULATIONS Interpretations § 545.404 Transshipment or transit through the United... intended or destined for the Taliban or the territory of Afghanistan controlled by the Taliban. (b) The... Afghanistan controlled by the Taliban which are intended or destined for third countries. (c) Goods, software...

Relaxation dynamics of magnetization transitions in synthetic antiferromagnet with perpendicular anisotropy

NASA Astrophysics Data System (ADS)

Talantsev, A.; Lu, Y.; Fache, T.; Lavanant, M.; Hamadeh, A.; Aristov, A.; Koplak, O.; Morgunov, R.; Mangin, S.

2018-04-01

Two synthetic antiferromagnet bilayer systems with strong perpendicular anisotropy CoFeB/Ta/CoFeB and Pt/Co/Ir/Co/Pt have been grown using sputtering techniques. For both systems two types of magnetization transitions have been studied. The first one concerns transitions from a state where magnetizations of the two magnetic layers are parallel (P state) to a state where magnetizations of the two layers are aligned antiparallel (AP state). The second one concerns transitions between the two possible antiparallel alignments (AP+  to AP-). For both systems and both transitions after-effect measurements can be understood in the frame of nucleation—propagation model. Time derivative analysis of magnetic relaxation curves and mapping of the first order reversal curves at different temperature allowed us to demonstrate the presence of different pinning centers, which number can be controlled by magnetic field and temperature.

An algorithm for minimum-cost set-point ordering in a cryogenic wind tunnel

NASA Technical Reports Server (NTRS)

Tripp, J. S.

1981-01-01

An algorithm for minimum cost ordering of set points in a cryogenic wind tunnel is developed. The procedure generates a matrix of dynamic state transition costs, which is evaluated by means of a single-volume lumped model of the cryogenic wind tunnel and the use of some idealized minimum-costs, which is evaluated by means of a single-volume lumped model of the cryogenic wind tunnel and the use of some idealized minimum-cost state-transition control strategies. A branch and bound algorithm is employed to determine the least costly sequence of state transitions from the transition-cost matrix. Some numerical results based on data for the National Transonic Facility are presented which show a strong preference for state transitions that consume to coolant. Results also show that the choice of the terminal set point in an open odering can produce a wide variation in total cost.

Diagnostic transitions in mild cognitive impairment subtypes.

PubMed

Forlenza, Orestes Vicente; Diniz, Breno Satler; Nunes, Paula Villela; Memória, Claudia Maia; Yassuda, Monica Sanches; Gattaz, Wagner Farid

2009-12-01

At least for a subset of patients, the clinical diagnosis of mild cognitive impairment (MCI) may represent an intermediate stage between normal aging and dementia. Nevertheless, the patterns of transition of cognitive states between normal cognitive aging and MCI to dementia are not well established. In this study we address the pattern of transitions between cognitive states in patients with MCI and healthy controls, prior to the conversion to dementia. 139 subjects (78% women, mean age, 68.5 +/- 6.1 years; mean educational level, 11.7 +/- 5.4 years) were consecutively assessed in a memory clinic with a standardized clinical and neuropsychological protocol, and classified as cognitively healthy (normal controls) or with MCI (including subtypes) at baseline. These subjects underwent annual reassessments (mean duration of follow-up: 2.7 +/- 1.1 years), in which cognitive state was ascertained independently of prior diagnoses. The pattern of transitions of the cognitive state was determined by Markov chain analysis. The transitions from one cognitive state to another varied substantially between MCI subtypes. Single-domain MCI (amnestic and non-amnestic) more frequently returned to normal cognitive state upon follow-up (22.5% and 21%, respectively). Among subjects who progressed to Alzheimer's disease (AD), the most common diagnosis immediately prior conversion was multiple-domain MCI (85%). The clinical diagnosis of MCI and its subtypes yields groups of patients with heterogeneous patterns of transitions between one given cognitive state to another. The presence of more severe and widespread cognitive deficits, as indicated by the group of multiple-domain amnestic MCI may be a better predictor of AD than single-domain amnestic or non-amnestic deficits. These higher-risk individuals could probably be the best candidates for the development of preventive strategies and early treatment for the disease.

Ultrafast photo-induced hidden phases in strained manganite thin films

NASA Astrophysics Data System (ADS)

Zhang, Jingdi; McLeod, A. S.; Zhang, Gu-Feng; Stoica, Vladimir; Jin, Feng; Gu, Mingqiang; Gopalan, Venkatraman; Freeland, John W.; Wu, Wenbin; Rondinelli, James; Wen, Haidan; Basov, D. N.; Averitt, R. D.

Correlated transition metal oxides (TMOs) are particularly sensitive to external control because of energy degeneracy in a complex energy landscape that promote a plethora of metastable states. However, it remains a grand challenge to actively control and fully explore the rich landscape of TMOs. Dynamic control with pulsed photons can overcome energetic barriers, enabling access to transient or metastable states that are not thermally accessible. In the past, we have demonstrated that mode-selective single-laser-pulse excitation of a strained manganite thin film La2/3Ca1/3MnO3 initiates a persistent phase transition from an emergent antiferromagnetic insulating ground state to a ferromagnetic metallic metastable state. Beyond the photo-induced insulator to metal transition, we recently discovered a new peculiar photo-induced hidden phase, identified by an experimental approach that combines ultrafast pump-probe spectroscopy, THz spectroscopy, X-ray diffraction, cryogenic near-field spectroscopy and SHG probe. This work is funded by the DOE, Office of Science, Office of Basic Energy Science under Award Numbers DE-SC0012375 and DE-SC0012592.

Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors

DOE PAGES

Kasahara, Y.; Takeuchi, Y.; Zadik, R. H.; ...

2017-02-17

Controlled access to the border of the Mott insulating state by variation of control parameters offers exotic electronic states such as anomalous and possibly high-transition-temperature (T c) superconductivity. The alkali-doped fullerides show a transition from a Mott insulator to a superconductor for the first time in three-dimensional materials, but the impact of dimensionality and electron correlation on superconducting properties has remained unclear. Here we show that, near the Mott insulating phase, the upper critical field H c2 of the fulleride superconductors reaches values as high as ~90 T—the highest among cubic crystals. This is accompanied by a crossover from weak-more » to strong-coupling superconductivity and appears upon entering the metallic state with the dynamical Jahn–Teller effect as the Mott transition is approached. Lastly, these results suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity with high-T c and high-H c2.« less

Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors

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

Kasahara, Y.; Takeuchi, Y.; Zadik, R. H.

Controlled access to the border of the Mott insulating state by variation of control parameters offers exotic electronic states such as anomalous and possibly high-transition-temperature (T c) superconductivity. The alkali-doped fullerides show a transition from a Mott insulator to a superconductor for the first time in three-dimensional materials, but the impact of dimensionality and electron correlation on superconducting properties has remained unclear. Here we show that, near the Mott insulating phase, the upper critical field H c2 of the fulleride superconductors reaches values as high as ~90 T—the highest among cubic crystals. This is accompanied by a crossover from weak-more » to strong-coupling superconductivity and appears upon entering the metallic state with the dynamical Jahn–Teller effect as the Mott transition is approached. Lastly, these results suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity with high-T c and high-H c2.« less

Emergent Self-Organized Criticality in Gene Expression Dynamics: Temporal Development of Global Phase Transition Revealed in a Cancer Cell Line

PubMed Central

Tsuchiya, Masa; Giuliani, Alessandro; Hashimoto, Midori; Erenpreisa, Jekaterina; Yoshikawa, Kenichi

2015-01-01

Background The underlying mechanism of dynamic control of the genome-wide expression is a fundamental issue in bioscience. We addressed it in terms of phase transition by a systemic approach based on both density analysis and characteristics of temporal fluctuation for the time-course mRNA expression in differentiating MCF-7 breast cancer cells. Methodology In a recent work, we suggested criticality as an essential aspect of dynamic control of genome-wide gene expression. Criticality was evident by a unimodal-bimodal transition through flattened unimodal expression profile. The flatness on the transition suggests the existence of a critical transition at which up- and down-regulated expression is balanced. Mean field (averaging) behavior of mRNAs based on the temporal expression changes reveals a sandpile type of transition in the flattened profile. Furthermore, around the transition, a self-similar unimodal-bimodal transition of the whole expression occurs in the density profile of an ensemble of mRNA expression. These singular and scaling behaviors identify the transition as the expression phase transition driven by self-organized criticality (SOC). Principal Findings Emergent properties of SOC through a mean field approach are revealed: i) SOC, as a form of genomic phase transition, consolidates distinct critical states of expression, ii) Coupling of coherent stochastic oscillations between critical states on different time-scales gives rise to SOC, and iii) Specific gene clusters (barcode genes) ranging in size from kbp to Mbp reveal similar SOC to genome-wide mRNA expression and ON-OFF synchronization to critical states. This suggests that the cooperative gene regulation of topological genome sub-units is mediated by the coherent phase transitions of megadomain-scaled conformations between compact and swollen chromatin states. Conclusion and Significance In summary, our study provides not only a systemic method to demonstrate SOC in whole-genome expression, but also introduces novel, physically grounded concepts for a breakthrough in the study of biological regulation. PMID:26067993

Pressure-induced metal-insulator transitions in chalcogenide NiS2-xSex

NASA Astrophysics Data System (ADS)

Hussain, Tayyaba; Oh, Myeong-jun; Nauman, Muhammad; Jo, Younjung; Han, Garam; Kim, Changyoung; Kang, Woun

2018-05-01

We report the temperature-dependent resistivity ρ(T) of chalcogenide NiS2-xSex (x = 0.1) using hydrostatic pressure as a control parameter in the temperature range of 4-300 K. The insulating behavior of ρ(T) survives at low temperatures in the pressure regime below 7.5 kbar, whereas a clear insulator-to-metallic transition is observed above 7.5 kbar. Two types of magnetic transitions, from the paramagnetic (PM) to the antiferromagnetic (AFM) state and from the AFM state to the weak ferromagnetic (WF) state, were evaluated and confirmed by magnetization measurement. According to the temperature-pressure phase diagram, the WF phase survives up to 7.5 kbar, and the transition temperature of the WF transition decreases as the pressure increases, whereas the metal-insulator transition temperature increases up to 9.4 kbar. We analyzed the metallic behavior and proposed Fermi-liquid behavior of NiS1.9Se0.1.

In-Situ Phase Transition Control in the Supercooled State for Robust Active Glass Fiber.

PubMed

Lv, Shichao; Cao, Maoqing; Li, Chaoyu; Li, Jiang; Qiu, Jianrong; Zhou, Shifeng

2017-06-21

The construction of a dopant-activated photonic composite is of great technological importance for various applications, including smart lighting, optical amplification, laser, and optical detection. The bonding arrangement around the introduced dopants largely determines the properties, yet it remains a daunting challenge to manipulate the local state of the matrix (i.e., phase) inside the transparent composite in a controllable manner. Here we demonstrate that the relaxation of the supercooled state enables in-situ phase transition control in glass. Benefiting from the unique local atom arrangement manner, the strategy offers the possibility for simultaneously tuning the chemical environment of the incorporated dopant and engineering the dopant-host interaction. This allows us to effectively activate the dopant with high efficiency (calculated as ∼100%) and profoundly enhance the dopant-host energy-exchange interaction. Our results highlight that the in-situ phase transition control in glass may provide new opportunities for fabrication of unusual photonic materials with intense broadband emission at ∼1100 nm and development of the robust optical detection unit with high compactness and broadband photon-harvesting capability (from X-ray to ultraviolet light).

Intrinsic exciton-state mixing and nonlinear optical properties in transition metal dichalcogenide monolayers

NASA Astrophysics Data System (ADS)

Glazov, M. M.; Golub, L. E.; Wang, G.; Marie, X.; Amand, T.; Urbaszek, B.

2017-01-01

Optical properties of transition metal dichalcogenides monolayers are controlled by Wannier-Mott excitons forming a series of 1 s ,2 s ,2 p ,... hydrogen-like states. We develop the theory of the excited excitonic states energy spectrum fine structure. We predict that p - and s -shell excitons are mixed due to the specific D3 h point symmetry of the transition metal dichalcogenide monolayers. Hence, both s - and p -shell excitons are active in both single- and two-photon processes, providing an efficient mechanism of second harmonic generation. The corresponding contribution to the nonlinear susceptibility is calculated.

Density-controlled quantum Hall ferromagnetic transition in a two-dimensional hole system

DOE PAGES

Lu, T. M.; Tracy, L. A.; Laroche, D.; ...

2017-06-01

We typically achieve Quantum Hall ferromagnetic transitions by increasing the Zeeman energy through in-situ sample rotation, while transitions in systems with pseudo-spin indices can be induced by gate control. We report here a gate-controlled quantum Hall ferromagnetic transition between two real spin states in a conventional two-dimensional system without any in-plane magnetic field. We also show that the ratio of the Zeeman splitting to the cyclotron gap in a Ge two-dimensional hole system increases with decreasing density owing to inter-carrier interactions. Below a critical density of ~2.4 × 10 10 cm -2, this ratio grows greater than 1, resulting inmore » a ferromagnetic ground state at filling factor ν = 2. At the critical density, a resistance peak due to the formation of microscopic domains of opposite spin orientations is observed. For such gate-controlled spin-polarizations in the quantum Hall regime the door opens in order to realize Majorana modes using two-dimensional systems in conventional, low-spin-orbit-coupling semiconductors.« less

Density-controlled quantum Hall ferromagnetic transition in a two-dimensional hole system

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

Lu, T. M.; Tracy, L. A.; Laroche, D.

We typically achieve Quantum Hall ferromagnetic transitions by increasing the Zeeman energy through in-situ sample rotation, while transitions in systems with pseudo-spin indices can be induced by gate control. We report here a gate-controlled quantum Hall ferromagnetic transition between two real spin states in a conventional two-dimensional system without any in-plane magnetic field. We also show that the ratio of the Zeeman splitting to the cyclotron gap in a Ge two-dimensional hole system increases with decreasing density owing to inter-carrier interactions. Below a critical density of ~2.4 × 10 10 cm -2, this ratio grows greater than 1, resulting inmore » a ferromagnetic ground state at filling factor ν = 2. At the critical density, a resistance peak due to the formation of microscopic domains of opposite spin orientations is observed. For such gate-controlled spin-polarizations in the quantum Hall regime the door opens in order to realize Majorana modes using two-dimensional systems in conventional, low-spin-orbit-coupling semiconductors.« less

Nonequilibrium optical control of dynamical states in superconducting nanowire circuits.

PubMed

Madan, Ivan; Buh, Jože; Baranov, Vladimir V; Kabanov, Viktor V; Mrzel, Aleš; Mihailovic, Dragan

2018-03-01

Optical control of states exhibiting macroscopic phase coherence in condensed matter systems opens intriguing possibilities for materials and device engineering, including optically controlled qubits and photoinduced superconductivity. Metastable states, which in bulk materials are often associated with the formation of topological defects, are of more practical interest. Scaling to nanosize leads to reduced dimensionality, fundamentally changing the system's properties. In one-dimensional superconducting nanowires, vortices that are present in three-dimensional systems are replaced by fluctuating topological defects of the phase. These drastically change the dynamical behavior of the superconductor and introduce dynamical periodic long-range ordered states when the current is driven through the wire. We report the control and manipulation of transitions between different dynamically stable states in superconducting δ 3 -MoN nanowire circuits by ultrashort laser pulses. Not only can the transitions between different dynamically stable states be precisely controlled by light, but we also discovered new photoinduced hidden states that cannot be reached under near-equilibrium conditions, created while laser photoexcited quasi-particles are outside the equilibrium condition. The observed switching behavior can be understood in terms of dynamical stabilization of various spatiotemporal periodic trajectories of the order parameter in the superconductor nanowire, providing means for the optical control of the superconducting phase with subpicosecond control of timing.

Nonequilibrium optical control of dynamical states in superconducting nanowire circuits

PubMed Central

Madan, Ivan; Baranov, Vladimir V.

2018-01-01

Optical control of states exhibiting macroscopic phase coherence in condensed matter systems opens intriguing possibilities for materials and device engineering, including optically controlled qubits and photoinduced superconductivity. Metastable states, which in bulk materials are often associated with the formation of topological defects, are of more practical interest. Scaling to nanosize leads to reduced dimensionality, fundamentally changing the system’s properties. In one-dimensional superconducting nanowires, vortices that are present in three-dimensional systems are replaced by fluctuating topological defects of the phase. These drastically change the dynamical behavior of the superconductor and introduce dynamical periodic long-range ordered states when the current is driven through the wire. We report the control and manipulation of transitions between different dynamically stable states in superconducting δ3-MoN nanowire circuits by ultrashort laser pulses. Not only can the transitions between different dynamically stable states be precisely controlled by light, but we also discovered new photoinduced hidden states that cannot be reached under near-equilibrium conditions, created while laser photoexcited quasi-particles are outside the equilibrium condition. The observed switching behavior can be understood in terms of dynamical stabilization of various spatiotemporal periodic trajectories of the order parameter in the superconductor nanowire, providing means for the optical control of the superconducting phase with subpicosecond control of timing. PMID:29670935

Voltage-induced Metal-Insulator Transitions in Perovskite Oxide Thin Films Doped with Strongly Correlelated Electrons

NASA Astrophysics Data System (ADS)

Wang, Yudi; Gil Kim, Soo; Chen, I.-Wei

2007-03-01

We have observed a reversible metal-insulator transition in perovskite oxide thin films that can be controlled by charge trapping pumped by a bipolar voltage bias. In the as-fabricated state, the thin film is metallic with a very low resistance comparable to that of the metallic bottom electrode, showing decreasing resistance with decreasing temperature. This metallic state switches to a high-resistance state after applying a voltage bias: such state is non-ohmic showing a negative temperature dependence of resistance. Switching at essentially the same voltage bias was observed down to 2K. The metal-insulator transition is attributed to charge trapping that disorders the energy of correlated electron states in the conduction band. By increasing the amount of charge trapped, which increases the disorder relative to the band width, increasingly more insulating states with a stronger temperature dependence of resistivity are accessed. This metal-insulator transition provides a platform to engineer new nonvolatile memory that does not require heat (as in phase transition) or dielectric breakdown (as in most other oxide resistance devices).

Dynamics Sampling in Transition Pathway Space.

PubMed

Zhou, Hongyu; Tao, Peng

2018-01-09

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

Predicting a new phase (T'') of two-dimensional transition metal di-chalcogenides and strain-controlled topological phase transition

NASA Astrophysics Data System (ADS)

Ma, Fengxian; Gao, Guoping; Jiao, Yalong; Gu, Yuantong; Bilic, Ante; Zhang, Haijun; Chen, Zhongfang; Du, Aijun

2016-02-01

Single layered transition metal dichalcogenides have attracted tremendous research interest due to their structural phase diversities. By using a global optimization approach, we have discovered a new phase of transition metal dichalcogenides (labelled as T''), which is confirmed to be energetically, dynamically and kinetically stable by our first-principles calculations. The new T'' MoS2 phase exhibits an intrinsic quantum spin Hall (QSH) effect with a nontrivial gap as large as 0.42 eV, suggesting that a two-dimensional (2D) topological insulator can be achieved at room temperature. Most interestingly, there is a topological phase transition simply driven by a small tensile strain of up to 2%. Furthermore, all the known MX2 (M = Mo or W; X = S, Se or Te) monolayers in the new T'' phase unambiguously display similar band topologies and strain controlled topological phase transitions. Our findings greatly enrich the 2D families of transition metal dichalcogenides and offer a feasible way to control the electronic states of 2D topological insulators for the fabrication of high-speed spintronics devices.Single layered transition metal dichalcogenides have attracted tremendous research interest due to their structural phase diversities. By using a global optimization approach, we have discovered a new phase of transition metal dichalcogenides (labelled as T''), which is confirmed to be energetically, dynamically and kinetically stable by our first-principles calculations. The new T'' MoS2 phase exhibits an intrinsic quantum spin Hall (QSH) effect with a nontrivial gap as large as 0.42 eV, suggesting that a two-dimensional (2D) topological insulator can be achieved at room temperature. Most interestingly, there is a topological phase transition simply driven by a small tensile strain of up to 2%. Furthermore, all the known MX2 (M = Mo or W; X = S, Se or Te) monolayers in the new T'' phase unambiguously display similar band topologies and strain controlled topological phase transitions. Our findings greatly enrich the 2D families of transition metal dichalcogenides and offer a feasible way to control the electronic states of 2D topological insulators for the fabrication of high-speed spintronics devices. Electronic supplementary information (ESI) available: Detailed computational method; structural data of T'' MoS2; DOS of the T'' MoS2 phase under different strains; orbital energy of T'' MoS2 under different strains; electronic structures for all other five MX2 in the T'' phase; edge states of T'' MoS2. See DOI: 10.1039/c5nr07715j

Reversible superconductor-insulator transition in LiTi2O4 induced by Li-ion electrochemical reaction

PubMed Central

Yoshimatsu, K.; Niwa, M.; Mashiko, H.; Oshima, T.; Ohtomo, A.

2015-01-01

Transition metal oxides display various electronic and magnetic phases such as high-temperature superconductivity. Controlling such exotic properties by applying an external field is one of the biggest continuous challenges in condensed matter physics. Here, we demonstrate clear superconductor-insulator transition of LiTi2O4 films induced by Li-ion electrochemical reaction. A compact electrochemical cell of pseudo-Li-ion battery structure is formed with a superconducting LiTi2O4 film as an anode. Li content in the film is controlled by applying a constant redox voltage. An insulating state is achieved by Li-ion intercalation to the superconducting film by applying reduction potential. In contrast, the superconducting state is reproduced by applying oxidation potential to the Li-ion intercalated film. Moreover, superconducting transition temperature is also recovered after a number of cycles of Li-ion electrochemical reactions. This complete reversible transition originates in difference in potentials required for deintercalation of initially contained and electrochemically intercalated Li+ ions. PMID:26541508

Reversible superconductor-insulator transition in LiTi2O4 induced by Li-ion electrochemical reaction.

PubMed

Yoshimatsu, K; Niwa, M; Mashiko, H; Oshima, T; Ohtomo, A

2015-11-06

Transition metal oxides display various electronic and magnetic phases such as high-temperature superconductivity. Controlling such exotic properties by applying an external field is one of the biggest continuous challenges in condensed matter physics. Here, we demonstrate clear superconductor-insulator transition of LiTi2O4 films induced by Li-ion electrochemical reaction. A compact electrochemical cell of pseudo-Li-ion battery structure is formed with a superconducting LiTi2O4 film as an anode. Li content in the film is controlled by applying a constant redox voltage. An insulating state is achieved by Li-ion intercalation to the superconducting film by applying reduction potential. In contrast, the superconducting state is reproduced by applying oxidation potential to the Li-ion intercalated film. Moreover, superconducting transition temperature is also recovered after a number of cycles of Li-ion electrochemical reactions. This complete reversible transition originates in difference in potentials required for deintercalation of initially contained and electrochemically intercalated Li(+) ions.

Current signature sensor

NASA Technical Reports Server (NTRS)

Perotti, Jose M. (Inventor); Lucena, Angel (Inventor); Ihlefeld, Curtis (Inventor); Burns, Bradley (Inventor); Bassignani, Karin E. (Inventor)

2005-01-01

A solenoid health monitoring system uses a signal conditioner and controller assembly in one embodiment that includes analog circuitry and a DSP controller. The analog circuitry provides signal conditioning to the low-level raw signal coming from a signal acquisition assembly. Software running in a DSP analyzes the incoming data (recorded current signature) and determines the state of the solenoid whether it is energized, de-energized, or in a transitioning state. In one embodiment, the software identifies key features in the current signature during the transition phase and is able to determine the health of the solenoid.

Dynamics of gene expression with positive feedback to histone modifications at bivalent domains

NASA Astrophysics Data System (ADS)

Huang, Rongsheng; Lei, Jinzhi

2018-03-01

Experiments have shown that in embryonic stem cells, the promoters of many lineage-control genes contain “bivalent domains”, within which the nucleosomes possess both active (H3K4me3) and repressive (H3K27me3) marks. Such bivalent modifications play important roles in maintaining pluripotency in embryonic stem cells. Here, to investigate gene expression dynamics when there are regulations in bivalent histone modifications and random partition in cell divisions, we study how positive feedback to histone methylation/demethylation controls the transition dynamics of the histone modification patterns along with cell cycles. We constructed a computational model that includes dynamics of histone marks, three-stage chromatin state transitions, transcription and translation, feedbacks from protein product to enzymes to regulate the addition and removal of histone marks, and the inheritance of nucleosome state between cell cycles. The model reveals how dynamics of both nucleosome state transition and gene expression are dependent on the enzyme activities and feedback regulations. Results show that the combination of stochastic histone modification at each cell division and the deterministic feedback regulation work together to adjust the dynamics of chromatin state transition in stem cell regenerations.

Stereoelectronic control in peptide bond formation. Ab initio calculations and speculations on the mechanism of action of serine proteases.

PubMed Central

Gorenstein, D G; Taira, K

1984-01-01

Ab initio molecular orbital calculations have been performed on the reaction profile for the addition/elimination reaction between ammonia and formic acid, proceeding via a tetrahedral intermediate: NH3 + HCO2H----H2NCH(OH)2----NH2CHO + H2O. Calculated transition state energies for the first addition step of the reaction revealed that a lone pair on the oxygen of the OH group, which is antiperiplanar to the attacking nitrogen, stabilized the transition state by 3.9 kcal/mol, thus supporting the hypothesis of stereoelectronic control for this reaction. In addition, a secondary, counterbalancing stereoelectronic effect stabilizes the second step, water elimination, transition state by 3.1 kcal/mol if the lone pair on the leaving water oxygen is not antiperiplanar to the C-N bond. The best conformation for the transition states was thus one with a lone pair antiperiplanar to the adjacent scissile bond and also one without a lone-pair orbital on the scissile bond oxygen or nitrogen antiperiplanar to the adjacent polar bond. The significance of these stereoelectronic effects for the mechanism of action of serine proteases is discussed. PMID:6394065

Electric fields yield chaos in microflows

PubMed Central

Posner, Jonathan D.; Pérez, Carlos L.; Santiago, Juan G.

2012-01-01

We present an investigation of chaotic dynamics of a low Reynolds number electrokinetic flow. Electrokinetic flows arise due to couplings of electric fields and electric double layers. In these flows, applied (steady) electric fields can couple with ionic conductivity gradients outside electric double layers to produce flow instabilities. The threshold of these instabilities is controlled by an electric Rayleigh number, Rae. As Rae increases monotonically, we show here flow dynamics can transition from steady state to a time-dependent periodic state and then to an aperiodic, chaotic state. Interestingly, further monotonic increase of Rae shows a transition back to a well-ordered state, followed by a second transition to a chaotic state. Temporal power spectra and time-delay phase maps of low dimensional attractors graphically depict the sequence between periodic and chaotic states. To our knowledge, this is a unique report of a low Reynolds number flow with such a sequence of periodic-to-aperiodic transitions. Also unique is a report of strange attractors triggered and sustained through electric fluid body forces. PMID:22908251

Track and mode controller (TMC): a software executive for a high-altitude pointing and tracking experiment

NASA Astrophysics Data System (ADS)

Michnovicz, Michael R.

1997-06-01

A real-time executive has been implemented to control a high altitude pointing and tracking experiment. The track and mode controller (TMC) implements a table driven design, in which the track mode logic for a tracking mission is defined within a state transition diagram (STD). THe STD is implemented as a state transition table in the TMC software. Status Events trigger the state transitions in the STD. Each state, as it is entered, causes a number of processes to be activated within the system. As these processes propagate through the system, the status of key processes are monitored by the TMC, allowing further transitions within the STD. This architecture is implemented in real-time, using the vxWorks operating system. VxWorks message queues allow communication of status events from the Event Monitor task to the STD task. Process commands are propagated to the rest of the system processors by means of the SCRAMNet shared memory network. The system mode logic contained in the STD will autonomously sequence in acquisition, tracking and pointing system through an entire engagement sequence, starting with target detection and ending with aimpoint maintenance. Simulation results and lab test results will be presented to verify the mode controller. In addition to implementing the system mode logic with the STD, the TMC can process prerecorded time sequences of commands required during startup operations. It can also process single commands from the system operator. In this paper, the author presents (1) an overview, in which he describes the TMC architecture, the relationship of an end-to-end simulation to the flight software and the laboratory testing environment, (2) implementation details, including information on the vxWorks message queues and the SCRAMNet shared memory network, (3) simulation results and lab test results which verify the mode controller, and (4) plans for the future, specifically as to how this executive will expedite transition to a fully functional system.

Control of Exciton Valley Coherence in Transition Metal Dichalcogenide Monolayers

NASA Astrophysics Data System (ADS)

Wang, Gang

Current research on Transition Metal Dichalcogenide (TMD) Monolayers is stimulated by their strong light-matter interaction and the possibility to use the valley index in addition to spin as an information carrier. The direct gap interband transitions in TMD monolayers are governed by chiral optical selection rules. Determined by laser helicity, optical transitions in either the K+ or K- valley in momentum space are induced. Very recently the optical generation of valley polarization and valley coherence (coherent superposition of valley states) have been reported. In this work we go a step further by discussing the coherent manipulation of valley states. Linearly polarized laser excitation prepares a coherent superposition of valley states. We demonstrate the control of the exciton valley coherence in monolayer WSe2 by tuning the applied magnetic field perpendicular to the monolayer plane. The induced valley Zeeman splitting between K+ and K- results in a change of the oscillation frequency of the superposition of the valley states, which corresponds to a rotation of the exciton valley pseudo-spin. We show rotation of this coherent superposition of valley states by angles as large as 30 degrees in applied fields up to 9T and discuss valley coherence in other TMD monolayer materials. This exciton valley coherence control on ps time scale could be an important step towards complete control of qubits based on the valley degree of freedom. In collaboration with X. Marie, T. Amand, C. Robert, F. Cadiz, P. Renucci, B. Urbaszek (Université de Toulouse, INSA-CNRS-UPS, LPCNO, France), B. L. Liu (Institute of Physics, Chinese Academy of Sciences, China) and we acknowledge ERC Grant No. 306719.

Coherent control of the formation of cold heteronuclear molecules by photoassociation

NASA Astrophysics Data System (ADS)

de Lima, Emanuel F.

2017-01-01

We consider the formation of cold diatomic molecules in the electronic ground state by photoassociation of atoms of dissimilar species. A combination of two transition pathways from the free colliding pair of atoms to a bound vibrational level of the electronic molecular ground state is envisioned. The first pathway consists of a pump-dump scheme with two time-delayed laser pulses in the near-infrared frequency domain. The pump pulse drives the transition to a bound vibrational level of an excited electronic state, while the dump pulse transfers the population to a bound vibrational level of the electronic ground state. The second pathway takes advantage of the existing permanent dipole moment and employs a single pulse in the far-infrared domain to drive the transition from the unbound atoms directly to a bound vibrational level in the electronic ground state. We show that this scheme offers the possibility to coherently control the photoassociation yield by manipulating the relative phase and timing of the pulses. The photoassociation mechanism is illustrated for the formation of cold LiCs molecules.

Raman-laser spectroscopy of Wannier-Stark states

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

Tackmann, G.; Pelle, B.; Hilico, A.

2011-12-15

Raman lasers are used as a spectroscopic probe of the state of atoms confined in a shallow one-dimensional (1D) vertical lattice. For sufficiently long laser pulses, resolved transitions in the bottom band of the lattice between Wannier Stark states corresponding to neighboring wells are observed. Couplings between such states are measured as a function of the lattice laser intensity and compared to theoretical predictions, from which the lattice depth can be extracted. Limits to the linewidth of these transitions are investigated. Transitions to higher bands can also be induced, as well as between transverse states for tilted Raman beams. Allmore » these features allow for a precise characterization of the trapping potential and for an efficient control of the atomic external degrees of freedom.« less

New Transition in the Vortex Liquid State: intrinsic limit of the irreversibility line

NASA Astrophysics Data System (ADS)

Kwok, Wai-Kwong; Paulius, Lisa; Figueras, Jordi

2005-03-01

We have carried out angular dependent magneto-transport measurements on optimally doped, untwinned YBCO crystals irradiated with high energy heavy ions to determine the onset of vortex line tension in the vortex liquid state. The matching field was controlled and kept at a low level to partially preserve the first order vortex lattice melting transition. A Bose glass transition is observed below the lower critical point which then transforms into a first order phase transition near 5 Tesla. The locus of points which indicate the onset of vortex line tension overlaps with the Bose glass transition line at low fields and then deviates at higher fields, indicating a new transition line in the vortex liquid state. This new line in the vortex liquid phase extends beyond the upper critical point.This work was supported by the U.S. Department of Energy, BES, Materials Science under Contract No. W-31-109-ENG-38 at Argonne National Laboratory.

Polynomial law for controlling the generation of n-scroll chaotic attractors in an optoelectronic delayed oscillator

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

Márquez, Bicky A., E-mail: bmarquez@ivic.gob.ve; Suárez-Vargas, José J., E-mail: jjsuarez@ivic.gob.ve; Ramírez, Javier A.

2014-09-01

Controlled transitions between a hierarchy of n-scroll attractors are investigated in a nonlinear optoelectronic oscillator. Using the system's feedback strength as a control parameter, it is shown experimentally the transition from Van der Pol-like attractors to 6-scroll, but in general, this scheme can produce an arbitrary number of scrolls. The complexity of every state is characterized by Lyapunov exponents and autocorrelation coefficients.

Detection and drug delivery from superhydrophobic materials

NASA Astrophysics Data System (ADS)

Falde, Eric John

The wetting of a rough material is controlled by surface chemistry and morphology, the liquid phase, solutes, and surfactants that affect the surface tension with the gas phase, and environmental conditions such as temperature and pressure. Materials with high (>150°) apparent contact angles are known as superhydrophobic and are very resistant to wetting. However, in complex biological mixtures eventually protein adsorbs, fouling the surface and facilitating wetting on time scales from seconds to months. The work here uses the partially-wetted (Cassie-Baxter) to fully-wetted (Wenzel) state transition to control drug delivery and to perform surfactant detection via surface tension using hydrophobic and superhydrophobic materials. First there is an overview of the physics of the non-wetting state and the transition to wetting. Then there is a review of how wetting can be controlled by outside stimuli and applications of these materials. Next there is work presented on controlling drug release using superhydrophobic materials with controlled wetting rates, with both in vitro and in vivo results. Then there is work on developing a sensor based on this wetting state transition and its applications toward detecting solute levels in biological fluids for point-of-care diagnosis. Finally, there is work presented on using these sensors for detecting the alcohol content in wine and spirits.

Control of the Speed of a Light-Induced Spin Transition through Mesoscale Core-Shell Architecture.

PubMed

Felts, Ashley C; Slimani, Ahmed; Cain, John M; Andrus, Matthew J; Ahir, Akhil R; Abboud, Khalil A; Meisel, Mark W; Boukheddaden, Kamel; Talham, Daniel R

2018-05-02

The rate of the light-induced spin transition in a coordination polymer network solid dramatically increases when included as the core in mesoscale core-shell particles. A series of photomagnetic coordination polymer core-shell heterostructures, based on the light-switchable Rb a Co b [Fe(CN) 6 ] c · mH 2 O (RbCoFe-PBA) as core with the isostructural K j Ni k [Cr(CN) 6 ] l · nH 2 O (KNiCr-PBA) as shell, are studied using temperature-dependent powder X-ray diffraction and SQUID magnetometry. The core RbCoFe-PBA exhibits a charge transfer-induced spin transition (CTIST), which can be thermally and optically induced. When coupled to the shell, the rate of the optically induced transition from low spin to high spin increases. Isothermal relaxation from the optically induced high spin state of the core back to the low spin state and activation energies associated with the transition between these states were measured. The presence of a shell decreases the activation energy, which is associated with the elastic properties of the core. Numerical simulations using an electro-elastic model for the spin transition in core-shell particles supports the findings, demonstrating how coupling of the core to the shell changes the elastic properties of the system. The ability to tune the rate of optically induced magnetic and structural phase transitions through control of mesoscale architecture presents a new approach to the development of photoswitchable materials with tailored properties.

Strange non-chaotic attractors in a state controlled-cellular neural network-based quasiperiodically forced MLC circuit

NASA Astrophysics Data System (ADS)

Ezhilarasu, P. Megavarna; Inbavalli, M.; Murali, K.; Thamilmaran, K.

2018-07-01

In this paper, we report the dynamical transitions to strange non-chaotic attractors in a quasiperiodically forced state controlled-cellular neural network (SC-CNN)-based MLC circuit via two different mechanisms, namely the Heagy-Hammel route and the gradual fractalisation route. These transitions were observed through numerical simulations and hardware experiments and confirmed using statistical tools, such as maximal Lyapunov exponent spectrum and its variance and singular continuous spectral analysis. We find that there is a remarkable agreement of the results from both numerical simulations as well as from hardware experiments.

Monostable superrepellent materials

NASA Astrophysics Data System (ADS)

Li, Yanshen; Quéré, David; Lv, Cunjing; Zheng, Quanshui

2017-03-01

Superrepellency is an extreme situation where liquids stay at the tops of rough surfaces, in the so-called Cassie state. Owing to the dramatic reduction of solid/liquid contact, such states lead to many applications, such as antifouling, droplet manipulation, hydrodynamic slip, and self-cleaning. However, superrepellency is often destroyed by impalement transitions triggered by environmental disturbances whereas inverse transitions are not observed without energy input. Here we show through controlled experiments the existence of a “monostable” region in the phase space of surface chemistry and roughness, where transitions from Cassie to (impaled) Wenzel states become spontaneously reversible. We establish the condition for observing monostability, which might guide further design and engineering of robust superrepellent materials.

V/STOL propulsion control analysis: Phase 2, task 5-9

NASA Technical Reports Server (NTRS)

1981-01-01

Typical V/STOL propulsion control requirements were derived for transition between vertical and horizontal flight using the General Electric RALS (Remote Augmented Lift System) concept. Steady-state operating requirements were defined for a typical Vertical-to-Horizontal transition and for a typical Horizontal-to-Vertical transition. Control mode requirements were established and multi-variable regulators developed for individual operating conditions. Proportional/Integral gain schedules were developed and were incorporated into a transition controller with capabilities for mode switching and manipulated variable reassignment. A non-linear component-level transient model of the engine was developed and utilized to provide a preliminary check-out of the controller logic. An inlet and nozzle effects model was developed for subsequent incorporation into the engine model and an aircraft model was developed for preliminary flight transition simulations. A condition monitoring development plan was developed and preliminary design requirements established. The Phase 1 long-range technology plan was refined and restructured toward the development of a real-time high fidelity transient model of a supersonic V/STOL propulsion system and controller for use in a piloted simulation program at NASA-Ames.

State-of-the-Art Review : Prediction and Control of Groundborne Noise and Vibration from Rail Transit Trains

DOT National Transportation Integrated Search

1983-12-01

This report provides a comprehensive review of the state-of-the-art in the prediction and control of groundborne noise and vibration. Various types of impact criteria are reviewed for groundborne noise and vibration, building damage, and soil settlem...

Load compensation as a function of state during sleep onset.

PubMed

Gora, J; Kay, A; Colrain, I M; Kleiman, J; Trinder, J

1998-06-01

Ventilation decreases and airway resistance increases with the loss of electroencephalogram alpha activity at sleep onset. The aim of this study was to determine whether reflexive load compensation is lost immediately on the loss of alpha activity. Six healthy male subjects were studied under two conditions (load and control-no load), in three states (continuous alpha, continuous theta, and immediately after a transition from alpha to theta), and in two phases (early and late sleep onset). Ventilation and respiratory timing were measured. A comparison of loaded with control conditions indicated that loading had no effect on inspiratory minute ventilation during continuous alpha (differential effect of 0.00 l/min) and only a small, nonsignificant effect in theta immediately after phase 2 transitions (0.31 l/min), indicating a preservation of load compensation at these times. However, there were significant decreases in inspiratory minute ventilation on loaded trials during continuous theta in phase 2 (0.77 l/min) and phase 3 (1.15 l/min) and during theta immediately after a transition in phase 3 (0.87 l/min), indicating a lack of reflexive load compensation. The results indicate that, because reflex load compensation is state dependent, state-related changes in airway resistance contribute to state-related changes in ventilation during sleep onset. However, this effect was slightly delayed with transitions into theta early in sleep.

Controlling protein molecular dynamics: How to accelerate folding while preserving the native state

NASA Astrophysics Data System (ADS)

Jensen, Christian H.; Nerukh, Dmitry; Glen, Robert C.

2008-12-01

The dynamics of peptides and proteins generated by classical molecular dynamics (MD) is described by using a Markov model. The model is built by clustering the trajectory into conformational states and estimating transition probabilities between the states. Assuming that it is possible to influence the dynamics of the system by varying simulation parameters, we show how to use the Markov model to determine the parameter values that preserve the folded state of the protein and at the same time, reduce the folding time in the simulation. We investigate this by applying the method to two systems. The first system is an imaginary peptide described by given transition probabilities with a total folding time of 1μs. We find that only small changes in the transition probabilities are needed to accelerate (or decelerate) the folding. This implies that folding times for slowly folding peptides and proteins calculated using MD cannot be meaningfully compared to experimental results. The second system is a four residue peptide valine-proline-alanine-leucine in water. We control the dynamics of the transitions by varying the temperature and the atom masses. The simulation results show that it is possible to find the combinations of parameter values that accelerate the dynamics and at the same time preserve the native state of the peptide. A method for accelerating larger systems without performing simulations for the whole folding process is outlined.

Temperature-Controlled High-Speed AFM: Real-Time Observation of Ripple Phase Transitions.

PubMed

Takahashi, Hirohide; Miyagi, Atsushi; Redondo-Morata, Lorena; Scheuring, Simon

2016-11-01

With nanometer lateral and Angstrom vertical resolution, atomic force microscopy (AFM) has contributed unique data improving the understanding of lipid bilayers. Lipid bilayers are found in several different temperature-dependent states, termed phases; the main phases are solid and fluid phases. The transition temperature between solid and fluid phases is lipid composition specific. Under certain conditions some lipid bilayers adopt a so-called ripple phase, a structure where solid and fluid phase domains alternate with constant periodicity. Because of its narrow regime of existence and heterogeneity ripple phase and its transition dynamics remain poorly understood. Here, a temperature control device to high-speed atomic force microscopy (HS-AFM) to observe dynamics of phase transition from ripple phase to fluid phase reversibly in real time is developed and integrated. Based on HS-AFM imaging, the phase transition processes from ripple phase to fluid phase and from ripple phase to metastable ripple phase to fluid phase could be reversibly, phenomenologically, and quantitatively studied. The results here show phase transition hysteresis in fast cooling and heating processes, while both melting and condensation occur at 24.15 °C in quasi-steady state situation. A second metastable ripple phase with larger periodicity is formed at the ripple phase to fluid phase transition when the buffer contains Ca 2+ . The presented temperature-controlled HS-AFM is a new unique experimental system to observe dynamics of temperature-sensitive processes at the nanoscopic level. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Promoting Singlet/triplet Exciton Transformation in Organic Optoelectronic Molecules: Role of Excited State Transition Configuration.

PubMed

Chen, Runfeng; Tang, Yuting; Wan, Yifang; Chen, Ting; Zheng, Chao; Qi, Yuanyuan; Cheng, Yuanfang; Huang, Wei

2017-07-24

Exciton transformation, a non-radiative process in changing the spin multiplicity of an exciton usually between singlet and triplet forms, has received much attention recently due to its crucial effects in manipulating optoelectronic properties for various applications. However, current understanding of exciton transformation mechanism does not extend far beyond a thermal equilibrium of two states with different multiplicity and it is a significant challenge to probe what exactly control the transformation between the highly active excited states. Here, based on the recent developments of three types of purely organic molecules capable of efficient spin-flipping, we perform ab initio structure/energy optimization and similarity/overlap extent analysis to theoretically explore the critical factors in controlling the transformation process of the excited states. The results suggest that the states having close energy levels and similar exciton characteristics with same transition configurations and high heteroatom participation are prone to facilitating exciton transformation. A basic guideline towards the molecular design of purely organic materials with facile exciton transformation ability is also proposed. Our discovery highlights systematically the critical importance of vertical transition configuration of excited states in promoting the singlet/triplet exciton transformation, making a key step forward in excited state tuning of purely organic optoelectronic materials.

Experimental scaling law for the subcritical transition to turbulence in plane Poiseuille flow.

PubMed

Lemoult, Grégoire; Aider, Jean-Luc; Wesfreid, José Eduardo

2012-02-01

We present an experimental study of the transition to turbulence in a plane Poiseuille flow. Using a well-controlled perturbation, we analyze the flow by using extensive particle image velocimetry and flow visualization (using laser-induced fluorescence) measurements, and use the deformation of the mean velocity profile as a criterion to characterize the state of the flow. From a large parametric study, four different states are defined, depending on the values of the Reynolds number and the amplitude of the perturbation. We discuss the role of coherent structures, such as hairpin vortices, in the transition. We find that the minimal amplitude of the perturbation triggering transition scales asymptotically as Re(-1).

External noise-induced transitions in a current-biased Josephson junction

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

Huang, Qiongwei; Xue, Changfeng, E-mail: cfxue@163.com; Tang, Jiashi

We investigate noise-induced transitions in a current-biased and weakly damped Josephson junction in the presence of multiplicative noise. By using the stochastic averaging procedure, the averaged amplitude equation describing dynamic evolution near a constant phase difference is derived. Numerical results show that a stochastic Hopf bifurcation between an absorbing and an oscillatory state occurs. This means the external controllable noise triggers a transition into the non-zero junction voltage state. With the increase of noise intensity, the stationary probability distribution peak shifts and is characterised by increased width and reduced height. And the different transition rates are shown for large andmore » small bias currents.« less

Prediction and Control of Rail Transit Noise and Vibration - A State-of-the-Art Assessment

DOT National Transportation Integrated Search

1974-04-01

As systems manager for the Urban Mass Transportation Administration's Rail Supporting Technology Program, the Transportation Systems Center has undertaken research in rail transit noise abatement. As part of this effort, this report contains the resu...

Safety and Automated Train Control for Rail Rapid Transit Systems

DOT National Transportation Integrated Search

1974-07-01

The anticipated construction and expansion of rail rapid transit system in the United States over the next 10-15 years implies major capital expenditures. A significant level of automation in train cntrol is likely to be central to these systems. The...

Analyzing the impact of public transit usage on obesity.

PubMed

She, Zhaowei; King, Douglas M; Jacobson, Sheldon H

2017-06-01

The objective of this paper is to estimate the impact of county-level public transit usage on obesity prevalence in the United States and assess the potential for public transit usage as an intervention for obesity. This study adopts an instrumental regression approach to implicitly control for potential selection bias due to possible differences in commuting preferences among obese and non-obese populations. United States health data from the 2009 Behavioral Risk Factor Surveillance System and transportation data from the 2009 National Household Travel Survey are aggregated and matched at the county level. County-level public transit accessibility and vehicle ownership rates are chosen as instrumental variables to implicitly control for unobservable commuting preferences. The results of this instrumental regression analysis suggest that a one percent increase in county population usage of public transit is associated with a 0.221 percent decrease in county population obesity prevalence at the α=0.01 statistical significance level, when commuting preferences, amount of non-travel physical activity, education level, health resource, and distribution of income are fixed. Hence, this study provides empirical support for the effectiveness of encouraging public transit usage as an intervention strategy for obesity. Copyright © 2017 Elsevier Inc. All rights reserved.

Electric control of magnetization reorientation in FeRh /BaTiO3 mediated by a magnetic phase transition

NASA Astrophysics Data System (ADS)

Odkhuu, Dorj

2017-10-01

Employing first-principles calculations we predict magnetization reorientation in FeRh films epitaxially grown on BaTiO3 by reversing the electric polarization or applying the strain effect, which is associated with the recently discovered voltage-induced interfacial magnetic-phase transition by R. O. Cherifi et al. [Nat. Mater. 13, 345 (2014), 10.1038/nmat3870]. We propose that this transition from antiferromagnetic to ferromagnetic phase is the results of the mutual mechanisms of the polarization-reversal-induced volume/strain expansion in the interfacial FeRh layers and the competition between direct and indirect exchange interactions. These mechanisms are mainly driven by the ferroelectrically driven hybridization between Fe and Ti 3 d orbital states at the interface. Such a strong hybridization can further involve Rh 4 d states with large spin-orbit coupling, which, rather than the Fe 3 d orbitals, is responsible for magnetization reorientation at the magnetic-phase transition. These findings point toward the feasibility of electric field control of magnetization switching associated with the magnetic-phase transition in an antiferromagnet structure.

QPA-CLIPS: A language and representation for process control

NASA Technical Reports Server (NTRS)

Freund, Thomas G.

1994-01-01

QPA-CLIPS is an extension of CLIPS oriented towards process control applications. Its constructs define a dependency network of process actions driven by sensor information. The language consists of three basic constructs: TASK, SENSOR, and FILTER. TASK's define the dependency network describing alternative state transitions for a process. SENSOR's and FILTER's define sensor information sources used to activate state transitions within the network. Deftemplate's define these constructs and their run-time environment is an interpreter knowledge base, performing pattern matching on sensor information and so activating TASK's in the dependency network. The pattern matching technique is based on the repeatable occurrence of a sensor data pattern. QPA-CIPS has been successfully tested on a SPARCStation providing supervisory control to an Allen-Bradley PLC 5 controller driving molding equipment.

Kinetic or Dynamic Control on a Bifurcating Potential Energy Surface? An Experimental and DFT Study of Gold-Catalyzed Ring Expansion and Spirocyclization of 2-Propargyl-β-tetrahydrocarbolines.

PubMed

Zhang, Lei; Wang, Yi; Yao, Zhu-Jun; Wang, Shaozhong; Yu, Zhi-Xiang

2015-10-21

In classical transition state theory, a transition state is connected to its reactant(s) and product(s). Recently, chemists found that reaction pathways may bifurcate after a transition state, leading to two or more sets of products. The product distribution for such a reaction containing a bifurcating potential energy surface (bPES) is usually determined by the shape of the bPES and dynamic factors. However, if the bPES leads to two intermediates (other than two products), which then undergo further transformations to give different final products, what factors control the selectivity is still not fully examined. This missing link in transition state theory is founded in the present study. Aiming to develop new methods for the synthesis of azocinoindole derivatives, we found that 2-propargyl-β-tetrahydrocarbolines can undergo ring expansion and spirocyclization under gold catalysis. DFT study revealed that the reaction starts with the intramolecular cyclization of the gold-activated 2-propargyl-β-tetrahydrocarboline with a bPES. The cyclization intermediates can not only interconvert into each other via a [1,5]-alkenyl shift, but also undergo ring expansion (through fragmentation/protodeauration mechanism) or spirocyclization (through deprotonation/protodeauration mechanism). Detailed analysis of the complex PESs for substrates with different substituents indicated that the reaction selectivity is under dynamic control if the interconversion of the intermediates is slower than the ring expansion and spirocyclization processes. Otherwise, the chemical outcome is under typical kinetic control and determined by the relative preference of ring expansion versus spirocyclization pathways. The present study may enrich chemist's understanding of the determinants for selectivities on bPESs.

Health Changes in Low Income Men Transitioning from a State Funded Prostate Cancer Program to Comprehensive Insurance.

PubMed

Nabhani, Jamal A; Kuang, Ruby; Liu, Hui; Kwan, Lorna; Litwin, Mark S

2018-07-01

We evaluated the effect of transitioning from a prostate cancer specific treatment program to comprehensive insurance under the ACA (Patient Protection and Affordable Care Act) on the physical, mental and prostate cancer related health of poor, previously uninsured men. We assessed general and prostate cancer specific health related quality of life using the RAND SF-12v2™ (12-Item Short Form Survey, version 2) and the UCLA PCI (Prostate Cancer Index) at 3 time points in 24 men who transitioned to comprehensive insurance as the insured group relative to 39 who remained in the prostate cancer program as the control group. We used mixed effects models controlling for treatment and patient factors to measure health differences between the groups during the transition period. Demographics, prostate cancer treatment patterns, and mental, physical and general health were similar before transition in the control and insured groups. After transition men who gained insurance coverage reported significantly worse physical health than men who remained in the prostate cancer program (p = 0.0038). After adjustment in the mixed effects model physical health remained worse in men who gained insurance (p = 0.0036). Mental health and prostate cancer related quality of life did not differ with time between the groups. Compared to controls who remained in the state funded prostate cancer treatment program for poor, uninsured men, newly insured men reported worse physical health after transitioning to ACA coverage. Providers and policy makers may draw important lessons from understanding the mechanisms of this paradoxical worsening in physical health after gaining insurance. These results inform the development of disease specific models of care in the broader health insurance context. Copyright © 2018 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

The Shallow-to-Deep Transition in Convective Clouds During GoAmazon 2014/5

NASA Astrophysics Data System (ADS)

Jensen, M. P.; Gostic, C.; Giangrande, S. E.; Mechem, D. B.; Ghate, V. P.; Toto, T.

2016-12-01

Nearly two years of observations from the ARM Mobile Facility (AMF) deployed at Manacapuru, Brazil during the GOAmazon 2014/5 campaign are analyzed to investigate the environmental conditions controlling the transition from shallow to deep convective clouds. The Active Remote Sensing of Clouds (ARSCL) product, which combines radar and lidar observations to produce best estimates of cloud locations in the vertical column is used to qualitatively define four subsets of convective cloud conditions: 1,2) Transition cases (wet season, dry season), where a period of shallow convective clouds is followed by a period of deep convective clouds and 2) Non-transition cases (wet season, dry season), where shallow convective clouds persist without any subsequent development. For these subsets, observations of the time varying thermodynamic properties of the atmosphere, including the surface heat and radiative fluxes, the profiles of atmospheric state variables, and the ECMWF-derived large-scale advective tendencies, are composited to define averaged properties for each transition state. Initial analysis indicates that the transition state strongly depends on the pre-dawn free-tropospheric humidity, the convective inhibition and surface temperature and humidity with little dependence on the convective available potential energy and surface heat fluxes. The composited environmental thermodynamics are then used to force large-eddy simulations for the four transition states to further evaluate the sensitivity of the transition to the composite thermodynamics versus the importance of larger-scale forcing.

How cooperative are protein folding and unfolding transitions?

PubMed Central

Malhotra, Pooja

2016-01-01

Abstract A thermodynamically and kinetically simple picture of protein folding envisages only two states, native (N) and unfolded (U), separated by a single activation free energy barrier, and interconverting by cooperative two‐state transitions. The folding/unfolding transitions of many proteins occur, however, in multiple discrete steps associated with the formation of intermediates, which is indicative of reduced cooperativity. Furthermore, much advancement in experimental and computational approaches has demonstrated entirely non‐cooperative (gradual) transitions via a continuum of states and a multitude of small energetic barriers between the N and U states of some proteins. These findings have been instrumental towards providing a structural rationale for cooperative versus noncooperative transitions, based on the coupling between interaction networks in proteins. The cooperativity inherent in a folding/unfolding reaction appears to be context dependent, and can be tuned via experimental conditions which change the stabilities of N and U. The evolution of cooperativity in protein folding transitions is linked closely to the evolution of function as well as the aggregation propensity of the protein. A large activation energy barrier in a fully cooperative transition can provide the kinetic control required to prevent the accumulation of partially unfolded forms, which may promote aggregation. Nevertheless, increasing evidence for barrier‐less “downhill” folding, as well as for continuous “uphill” unfolding transitions, indicate that gradual non‐cooperative processes may be ubiquitous features on the free energy landscape of protein folding. PMID:27522064

Observation of optomechanical buckling transitions

PubMed Central

Xu, H.; Kemiktarak, U.; Fan, J.; Ragole, S.; Lawall, J.; Taylor, J. M.

2017-01-01

Correlated phases of matter provide long-term stability for systems as diverse as solids, magnets and potential exotic quantum materials. Mechanical systems, such as buckling transition spring switches, can have engineered, stable configurations whose dependence on a control variable is reminiscent of non-equilibrium phase transitions. In hybrid optomechanical systems, light and matter are strongly coupled, allowing engineering of rapid changes in the force landscape, storing and processing information, and ultimately probing and controlling behaviour at the quantum level. Here we report the observation of first- and second-order buckling transitions between stable mechanical states in an optomechanical system, in which full control of the nature of the transition is obtained by means of the laser power and detuning. The underlying multiwell confining potential we create is highly tunable, with a sub-nanometre distance between potential wells. Our results enable new applications in photonics and information technology, and may enable explorations of quantum phase transitions and macroscopic quantum tunnelling in mechanical systems. PMID:28248293

Improvement of driving safety in road traffic system

NASA Astrophysics Data System (ADS)

Li, Ke-Ping; Gao, Zi-You

2005-05-01

A road traffic system is a complex system in which humans participate directly. In this system, human factors play a very important role. In this paper, a kind of control signal is designated at a given site (i.e., signal point) of the road. Under the effect of the control signal, the drivers will decrease their velocities when their vehicles pass the signal point. Our aim is to transit the traffic flow states from disorder to order and then improve the traffic safety. We have tested this technique for the two-lane traffic model that is based on the deterministic Nagel-Schreckenberg (NaSch) traffic model. The simulation results indicate that the traffic flow states can be transited from disorder to order. Different order states can be observed in the system and these states are safer.

The mechanism of the converter domain rotation in the recovery stroke of myosin motor protein

PubMed Central

Baumketner, Andrij

2012-01-01

Upon ATP binding, myosin motor protein is found in two alternative conformations, pre-recovery state M* and post-recovery state M**. The transition from one state to the other, known as the recovery stroke, plays a key role in the myosin functional cycle. Despite much recent research, the microscopic details of this transition remain elusive. A critical step in the recovery stroke is the rotation of the converter domain from “up” position in pre-recovery state to “down” position in post-recovery state that leads to the swing of the lever arm attached to it. In this work, we demonstrate that the two rotational states of the converter domain are determined by the interactions within a small structural motif in the force-generating region of the protein that can be accurately modeled on computers using atomic representation and explicit solvent. Our simulations show that the transition between the two states is controlled by a small helix (SH1) located next to the relay helix and relay loop. A small translation in the position of SH1 away from the relay helix is seen to trigger the transition from “up” state to “down” state. The transition is driven by a cluster of hydrophobic residues I687, F487 and F506 that make significant contributions to the stability of both states. The proposed mechanism agrees well with the available structural and mutational studies. PMID:22855405

Characterization of Dynamical Phase Transitions in Quantum Jump Trajectories Beyond the Properties of the Stationary State

NASA Astrophysics Data System (ADS)

Lesanovsky, Igor; van Horssen, Merlijn; Guţă, Mădălin; Garrahan, Juan P.

2013-04-01

We describe how to characterize dynamical phase transitions in open quantum systems from a purely dynamical perspective, namely, through the statistical behavior of quantum jump trajectories. This approach goes beyond considering only properties of the steady state. While in small quantum systems dynamical transitions can only occur trivially at limiting values of the controlling parameters, in many-body systems they arise as collective phenomena and within this perspective they are reminiscent of thermodynamic phase transitions. We illustrate this in open models of increasing complexity: a three-level system, the micromaser, and a dissipative version of the quantum Ising model. In these examples dynamical transitions are accompanied by clear changes in static behavior. This is however not always the case, and, in general, dynamical phases need to be uncovered by observables which are strictly dynamical, e.g., dynamical counting fields. We demonstrate this via the example of a class of models of dissipative quantum glasses, whose dynamics can vary widely despite having identical (and trivial) stationary states.

Hydrogenation-controlled phase transition on two-dimensional transition metal dichalcogenides and their unique physical and catalytic properties.

PubMed

Qu, Yuanju; Pan, Hui; Kwok, Chi Tat

2016-09-30

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have been widely used from nanodevices to energy harvesting/storage because of their tunable physical and chemical properties. In this work, we systematically investigate the effects of hydrogenation on the structural, electronic, magnetic, and catalytic properties of 33 TMDs based on first-principles calculations. We find that the stable phases of TMD monolayers can transit from 1T to 2H phase or vice versa upon the hydrogenation. We show that the hydrogenation can switch their magnetic and electronic states accompanying with the phase transition. The hydrogenation can tune the magnetic states of TMDs among non-, ferro, para-, and antiferro-magnetism and their electronic states among semiconductor, metal, and half-metal. We further show that, out of 33 TMD monolayers, 2H-TiS 2 has impressive catalytic ability comparable to Pt in hydrogen evolution reaction in a wide range of hydrogen coverages. Our findings would shed the light on the multi-functional applications of TMDs.

Characterization of dynamical phase transitions in quantum jump trajectories beyond the properties of the stationary state.

PubMed

Lesanovsky, Igor; van Horssen, Merlijn; Guţă, Mădălin; Garrahan, Juan P

2013-04-12

We describe how to characterize dynamical phase transitions in open quantum systems from a purely dynamical perspective, namely, through the statistical behavior of quantum jump trajectories. This approach goes beyond considering only properties of the steady state. While in small quantum systems dynamical transitions can only occur trivially at limiting values of the controlling parameters, in many-body systems they arise as collective phenomena and within this perspective they are reminiscent of thermodynamic phase transitions. We illustrate this in open models of increasing complexity: a three-level system, the micromaser, and a dissipative version of the quantum Ising model. In these examples dynamical transitions are accompanied by clear changes in static behavior. This is however not always the case, and, in general, dynamical phases need to be uncovered by observables which are strictly dynamical, e.g., dynamical counting fields. We demonstrate this via the example of a class of models of dissipative quantum glasses, whose dynamics can vary widely despite having identical (and trivial) stationary states.

Markov chains for testing redundant software

NASA Technical Reports Server (NTRS)

White, Allan L.; Sjogren, Jon A.

1988-01-01

A preliminary design for a validation experiment has been developed that addresses several problems unique to assuring the extremely high quality of multiple-version programs in process-control software. The procedure uses Markov chains to model the error states of the multiple version programs. The programs are observed during simulated process-control testing, and estimates are obtained for the transition probabilities between the states of the Markov chain. The experimental Markov chain model is then expanded into a reliability model that takes into account the inertia of the system being controlled. The reliability of the multiple version software is computed from this reliability model at a given confidence level using confidence intervals obtained for the transition probabilities during the experiment. An example demonstrating the method is provided.

Signatures of the Mott transition in the antiferromagnetic state of the two-dimensional Hubbard model

DOE PAGES

Fratino, L.; Sémon, P.; Charlebois, M.; ...

2017-06-06

The properties of a phase with large correlation length can be strongly influenced by the underlying normal phase. Here, we illustrate this by studying the half-filled two-dimensional Hubbard model using cellular dynamical mean-field theory with continuous-time quantum Monte Carlo. Sharp crossovers in the mechanism that favors antiferromagnetic correlations and in the corresponding local density of states are observed. We found that these crossovers occur at values of the interaction strength U and temperature T that are controlled by the underlying normal-state Mott transition.

Generalized concurrence in boson sampling.

PubMed

Chin, Seungbeom; Huh, Joonsuk

2018-04-17

A fundamental question in linear optical quantum computing is to understand the origin of the quantum supremacy in the physical system. It is found that the multimode linear optical transition amplitudes are calculated through the permanents of transition operator matrices, which is a hard problem for classical simulations (boson sampling problem). We can understand this problem by considering a quantum measure that directly determines the runtime for computing the transition amplitudes. In this paper, we suggest a quantum measure named "Fock state concurrence sum" C S , which is the summation over all the members of "the generalized Fock state concurrence" (a measure analogous to the generalized concurrences of entanglement and coherence). By introducing generalized algorithms for computing the transition amplitudes of the Fock state boson sampling with an arbitrary number of photons per mode, we show that the minimal classical runtime for all the known algorithms directly depends on C S . Therefore, we can state that the Fock state concurrence sum C S behaves as a collective measure that controls the computational complexity of Fock state BS. We expect that our observation on the role of the Fock state concurrence in the generalized algorithm for permanents would provide a unified viewpoint to interpret the quantum computing power of linear optics.

Simulation evaluation of two VTOL control/display systems in IMC approach and shipboard landing

NASA Technical Reports Server (NTRS)

Merrick, V. K.

1984-01-01

Two control/display systems, which differed in overall complexity but were both designed for VTOL flight operations to and from small ships in instrument meteorological conditions (IMC), were tested using the Ames Flight Simulator for Advanced Aircraft (FSAA). Both systems have attitude command in transition and horizontal-velocity command in hover; the more complex system also has longitudinal-acceleration and flightpath-angle command in transition, and vertical-velocity command in hover. The most important overall distinction between the two systems for the viewpoint of implementation is that in one - the more complex - engine power and nozzle position are operated indirectly through flight controllers, whereas in the other they are operated directly by the pilot. Simulated landings were made on a moving model of a DD 963 Spruance-class destroyer. Acceptable transitions can be performed in turbulence of 3 m/sec rms using either system. Acceptable landings up to sea state 6 can be performed using the more complex system, and up to sea state 5 using the other system.

Gradient-based controllers for timed continuous Petri nets

NASA Astrophysics Data System (ADS)

Lefebvre, Dimitri; Leclercq, Edouard; Druaux, Fabrice; Thomas, Philippe

2015-07-01

This paper is about control design for timed continuous Petri nets that are described as piecewise affine systems. In this context, the marking vector is considered as the state space vector, weighted marking of place subsets are defined as the model outputs and the model inputs correspond to multiplicative control actions that slow down the firing rate of some controllable transitions. Structural and functional sensitivity of the outputs with respect to the inputs are discussed in terms of Petri nets. Then, gradient-based controllers (GBC) are developed in order to adapt the control actions of the controllable transitions according to desired trajectories of the outputs.

Perspective. Extremely fine tuning of doping enabled by combinatorial molecular-beam epitaxy

DOE PAGES

Wu, J.; Bozovic, I.

2015-04-06

Chemical doping provides an effective method to control the electric properties of complex oxides. However, the state-of-art accuracy in controlling doping is limited to about 1%. This hampers elucidation of the precise doping dependences of physical properties and phenomena of interest, such as quantum phase transitions. Using the combinatorial molecular beam epitaxy, we improve the accuracy in tuning the doping level by two orders of magnitude. We illustrate this novel method by two examples: a systematic investigation of the doping dependence of interface superconductivity, and a study of the competing ground states in the vicinity of the insulator-to-superconductor transition.

Motor vehicle driver death and high state maximum speed limits: 1991-1993.

PubMed

Yamane, Grover K; Bradshaw, Benjamin S

2008-09-01

To measure the association between motor vehicle crash (MVC) driver death and high state maximum speed limits. This study used a case-control design and assessed driver deaths from three major types of MVCs: non-collision; collision with motor vehicles in transit; and collision with stationary objects. The study period was 1991-1993. For each type of crash, case subject populations of fatally injured drivers were obtained from the U.S. Department of Transportation Fatality Analysis Reporting System. Four control subject populations, each associated with a different cause of death, were obtained from a U.S. national death certificate database (the causes of death were unintentional poisoning, non-Hodgkin lymphoma, drowning, and diabetes mellitus). Subjects were considered exposed if the state in which they crashed (for cases) or died (for controls) had a maximum speed limit greater than 55 mph. Each of the three case subject populations was compared against each of the four control subject populations. Odds ratios (ORs) were adjusted for age and gender. For non-collision driver death, ORs ranged from 3.06 to 6.56, depending on the year and control group; all the ORs were significant. For collision with motor vehicles in transit driver death, ORs ranged from 1.12 to 2.22; all the ORs were significant. For collision with stationary objects driver death, ORs ranged from 0.87 to 1.83. There was a moderately strong and significant association between non-collision driver death and high state maximum speed limits. For collision with motor vehicles in transit driver death, the association was somewhat milder but still consistent. For collision with stationary objects driver death, the presence of an association was unclear. During 1991-1993, the effects of high state maximum speed limits may have been different for different types of MVCs.

Investigating the relationship between subjective drug craving and temporal dynamics of the default mode network, executive control network, and salience network in methamphetamine dependents using rsfMRI

NASA Astrophysics Data System (ADS)

Soltanian-Zadeh, Somayyeh; Hossein-Zadeh, Gholam-Ali; Shahbabaie, Alireza; Ekhtiari, Hamed

2016-03-01

Resting state functional connectivity (rsFC) studies using fMRI provides a great deal of knowledge on the spatiotemporal organization of the brain. The relationships between and within a number of resting state functional networks, namely the default mode network (DMN), salience network (SN) and executive control network (ECN) have been intensely studied in basic and clinical cognitive neuroscience [1]. However, the presumption of spatial and temporal stationarity has mostly restricted the assessment of rsFC [1]. In this study, sliding window correlation analysis and k-means clustering were exploited to examine the temporal dynamics of rsFC of these three networks in 24 abstinent methamphetamine dependents. Afterwards, using canonical correlation analysis (CCA) the possible relationship between the level of self-reported craving and the temporal dynamics was examined. Results indicate that the rsFC transits between 6 discrete "FC states" in the meth dependents. CCA results show that higher levels of craving are associated with higher probability of transiting from state 4 to 6 (positive FC of DMN-ECN getting weak and negative FC of DMN-SN appearing) and staying in state 4 (positive FC of DMN-ECN), lower probability of staying in state 2 (negative FC of DMN-ECN), transiting from state 4 to 2 (change of positive FC of DMN-ECN to negative FC), and transiting from state 3 to 5 (appearance of negative FC of DMN-SN and positive FC of DMN-ECN with the presence of negative FC of SN-ECN). Quantitative measures of temporal dynamics in large-scale brain networks could bring new added values to increase potentials for applications of rsfMRI in addiction medicine.

Phonon-induced ultrafast band gap control in LaTiO3

NASA Astrophysics Data System (ADS)

Gu, Mingqiang; Rondinelli, James M.

We propose a route for ultrafast band gap engineering in correlated transition metal oxides by using optically driven phonons. We show that the ∖Gamma-point electron band energies can be deterministically tuned in the nonequilibrium state. Taking the Mott insulator LaTiO3 as an example, we show that such phonon-assisted processes dynamically induce an indirect-to-direct band gap transition or even a metal-to-insulator transition, depending on the electron correlation strength. We explain the origin of the dynamical band structure control and also establish its generality by examining related oxides. Lastly, we describe experimental routes to realize the band structure control with impulsive stimulated Raman scattering.

Electrically detected crystal orientation dependent spin-Rabi beat oscillation of c-Si(111)/SiO2 interface states

NASA Astrophysics Data System (ADS)

Paik, Seoyoung; Lee, Sang-Yun; McCamey, Dane R.; Boehme, Christoph

2011-12-01

Electrically detected spin-Rabi beat oscillation of pairs of paramagnetic near interface states at the phosphorous doped (1016 cm-3) Si(111)/SiO2 interface is reported. Due to the g-factor anisotropy of the Pb center (a silicon surface dangling bond), one can tune intrapair Larmor frequency differences (Larmor separations) by orientation of the crystal with regard to an external magnetic field. Since Larmor separation governs the number of beating spin pairs, crystal orientation can control the beat current. This is used to identify spin states that are paired by mutual electronic transitions. The experiments confirm the presence of the previously reported 31P-Pb transition and provide direct experimental evidence of the previously hypothesized Pb-E' center (a near interface SiO2 bulk state) transition.

A method of transition conflict resolving in hierarchical control

NASA Astrophysics Data System (ADS)

Łabiak, Grzegorz

2016-09-01

The paper concerns the problem of automatic solving of transition conflicts in hierarchical concurrent state machines (also known as UML state machine). Preparing by the designer a formal specification of a behaviour free from conflicts can be very complex. In this paper, it is proposed a method for solving conflicts through transition predicates modification. Partially specified predicates in the nondeterministic diagram are transformed into a symbolic Boolean space, whose points of the space code all possible valuations of transition predicates. Next, all valuations under partial specifications are logically multiplied by a function which represents all possible orthogonal predicate valuations. The result of this operation contains all possible collections of predicates, which under given partial specification make that the original diagram is conflict free and deterministic.

Quantum trajectory phase transitions in the micromaser.

PubMed

Garrahan, Juan P; Armour, Andrew D; Lesanovsky, Igor

2011-08-01

We study the dynamics of the single-atom maser, or micromaser, by means of the recently introduced method of thermodynamics of quantum jump trajectories. We find that the dynamics of the micromaser displays multiple space-time phase transitions, i.e., phase transitions in ensembles of quantum jump trajectories. This rich dynamical phase structure becomes apparent when trajectories are classified by dynamical observables that quantify dynamical activity, such as the number of atoms that have changed state while traversing the cavity. The space-time transitions can be either first order or continuous, and are controlled not just by standard parameters of the micromaser but also by nonequilibrium "counting" fields. We discuss how the dynamical phase behavior relates to the better known stationary-state properties of the micromaser.

A Conserved Behavioral State Barrier Impedes Transitions between Anesthetic-Induced Unconsciousness and Wakefulness: Evidence for Neural Inertia

PubMed Central

Friedman, Eliot B.; Sun, Yi; Moore, Jason T.; Hung, Hsiao-Tung; Meng, Qing Cheng; Perera, Priyan; Joiner, William J.; Thomas, Steven A.; Eckenhoff, Roderic G.; Sehgal, Amita; Kelz, Max B.

2010-01-01

One major unanswered question in neuroscience is how the brain transitions between conscious and unconscious states. General anesthetics offer a controllable means to study these transitions. Induction of anesthesia is commonly attributed to drug-induced global modulation of neuronal function, while emergence from anesthesia has been thought to occur passively, paralleling elimination of the anesthetic from its sites in the central nervous system (CNS). If this were true, then CNS anesthetic concentrations on induction and emergence would be indistinguishable. By generating anesthetic dose-response data in both insects and mammals, we demonstrate that the forward and reverse paths through which anesthetic-induced unconsciousness arises and dissipates are not identical. Instead they exhibit hysteresis that is not fully explained by pharmacokinetics as previously thought. Single gene mutations that affect sleep-wake states are shown to collapse or widen anesthetic hysteresis without obvious confounding effects on volatile anesthetic uptake, distribution, or metabolism. We propose a fundamental and biologically conserved concept of neural inertia, a tendency of the CNS to resist behavioral state transitions between conscious and unconscious states. We demonstrate that such a barrier separates wakeful and anesthetized states for multiple anesthetics in both flies and mice, and argue that it contributes to the hysteresis observed when the brain transitions between conscious and unconscious states. PMID:20689589

Modeling and Control of a Fixed Wing Tilt-Rotor Tri-Copter

NASA Astrophysics Data System (ADS)

Summers, Alexander

The following thesis considers modeling and control of a fixed wing tilt-rotor tri-copter. An emphasis of the conceptual design is made toward payload transport. Aerodynamic panel code and CAD design provide the base aerodynamic, geometric, mass, and inertia properties. A set of non-linear dynamics are created considering gravity, aerodynamics in vertical takeoff and landing (VTOL) and forward flight, and propulsion applied to a three degree of freedom system. A transition strategy, that removes trajectory planning by means of scheduled inputs, is theorized. Three discrete controllers, utilizing separate control techniques, are applied to ensure stability in the aerodynamic regions of VTOL, transition, and forward flight. The controller techniques include linear quadratic regulation, full state integral action, gain scheduling, and proportional integral derivative (PID) flight control. Simulation of the model control system for flight from forward to backward transition is completed with mass and center of gravity variation.

Weak-field multiphoton femtosecond coherent control in the single-cycle regime.

PubMed

Chuntonov, Lev; Fleischer, Avner; Amitay, Zohar

2011-03-28

Weak-field coherent phase control of atomic non-resonant multiphoton excitation induced by shaped femtosecond pulses is studied theoretically in the single-cycle regime. The carrier-envelope phase (CEP) of the pulse, which in the multi-cycle regime does not play any control role, is shown here to be a new effective control parameter that its effect is highly sensitive to the spectral position of the ultrabroad spectrum. Rationally chosen position of the ultrabroadband spectrum coherently induces several groups of multiphoton transitions from the ground state to the excited state of the system: transitions involving only absorbed photons as well as Raman transitions involving both absorbed and emitted photons. The intra-group interference is controlled by the relative spectral phase of the different frequency components of the pulse, while the inter-group interference is controlled jointly by the CEP and the relative spectral phase. Specifically, non-resonant two- and three-photon excitation is studied in a simple model system within the perturbative frequency-domain framework. The developed intuition is then applied to weak-field multiphoton excitation of atomic cesium (Cs), where the simplified model is verified by non-perturbative numerical solution of the time-dependent Schrödinger equation. We expect this work to serve as a basis for a new line of femtosecond coherent control experiments.

End-effector microprocessor

NASA Technical Reports Server (NTRS)

Doggett, William R.

1992-01-01

The topics are presented in viewgraph form and include: automated structures assembly facility current control hierarchy; automated structures assembly facility purposed control hierarchy; end-effector software state transition diagram; block diagram for ideal install composite; and conclusions.

Cooperative photoinduced metastable phase control in strained manganite films

NASA Astrophysics Data System (ADS)

Zhang, Jingdi; Tan, Xuelian; Liu, Mengkun; Teitelbaum, S. W.; Post, K. W.; Jin, Feng; Nelson, K. A.; Basov, D. N.; Wu, Wenbin; Averitt, R. D.

2016-09-01

A major challenge in condensed-matter physics is active control of quantum phases. Dynamic control with pulsed electromagnetic fields can overcome energetic barriers, enabling access to transient or metastable states that are not thermally accessible. Here we demonstrate strain-engineered tuning of La2/3Ca1/3MnO3 into an emergent charge-ordered insulating phase with extreme photo-susceptibility, where even a single optical pulse can initiate a transition to a long-lived metastable hidden metallic phase. Comprehensive single-shot pulsed excitation measurements demonstrate that the transition is cooperative and ultrafast, requiring a critical absorbed photon density to activate local charge excitations that mediate magnetic-lattice coupling that, in turn, stabilize the metallic phase. These results reveal that strain engineering can tune emergent functionality towards proximal macroscopic states to enable dynamic ultrafast optical phase switching and control.

A charge-density-wave oscillator based on an integrated tantalum disulfide-boron nitride-graphene device operating at room temperature.

PubMed

Liu, Guanxiong; Debnath, Bishwajit; Pope, Timothy R; Salguero, Tina T; Lake, Roger K; Balandin, Alexander A

2016-10-01

The charge-density-wave (CDW) phase is a macroscopic quantum state consisting of a periodic modulation of the electronic charge density accompanied by a periodic distortion of the atomic lattice in quasi-1D or layered 2D metallic crystals. Several layered transition metal dichalcogenides, including 1T-TaSe 2 , 1T-TaS 2 and 1T-TiSe 2 exhibit unusually high transition temperatures to different CDW symmetry-reducing phases. These transitions can be affected by the environmental conditions, film thickness and applied electric bias. However, device applications of these intriguing systems at room temperature or their integration with other 2D materials have not been explored. Here, we demonstrate room-temperature current switching driven by a voltage-controlled phase transition between CDW states in films of 1T-TaS 2 less than 10 nm thick. We exploit the transition between the nearly commensurate and the incommensurate CDW phases, which has a transition temperature of 350 K and gives an abrupt change in current accompanied by hysteresis. An integrated graphene transistor provides a voltage-tunable, matched, low-resistance load enabling precise voltage control of the circuit. The 1T-TaS 2 film is capped with hexagonal boron nitride to provide protection from oxidation. The integration of these three disparate 2D materials in a way that exploits the unique properties of each yields a simple, miniaturized, voltage-controlled oscillator suitable for a variety of practical applications.

Enzymatic Transition States, Transition-State Analogs, Dynamics, Thermodynamics, and Lifetimes

PubMed Central

Schramm, Vern L.

2017-01-01

Experimental analysis of enzymatic transition-state structures uses kinetic isotope effects (KIEs) to report on bonding and geometry differences between reactants and the transition state. Computational correlation of experimental values with chemical models permits three-dimensional geometric and electrostatic assignment of transition states formed at enzymatic catalytic sites. The combination of experimental and computational access to transition-state information permits (a) the design of transition-state analogs as powerful enzymatic inhibitors, (b) exploration of protein features linked to transition-state structure, (c) analysis of ensemble atomic motions involved in achieving the transition state, (d) transition-state lifetimes, and (e) separation of ground-state (Michaelis complexes) from transition-state effects. Transition-state analogs with picomolar dissociation constants have been achieved for several enzymatic targets. Transition states of closely related isozymes indicate that the protein’s dynamic architecture is linked to transition-state structure. Fast dynamic motions in catalytic sites are linked to transition-state generation. Enzymatic transition states have lifetimes of femtoseconds, the lifetime of bond vibrations. Binding isotope effects (BIEs) reveal relative reactant and transition-state analog binding distortion for comparison with actual transition states. PMID:21675920

Coherent manipulation of three-qubit states in a molecular single-ion magnet

NASA Astrophysics Data System (ADS)

Jenkins, M. D.; Duan, Y.; Diosdado, B.; García-Ripoll, J. J.; Gaita-Ariño, A.; Giménez-Saiz, C.; Alonso, P. J.; Coronado, E.; Luis, F.

2017-02-01

We study the quantum spin dynamics of nearly isotropic Gd3 + ions entrapped in polyoxometalate molecules and diluted in crystals of a diamagnetic Y3 + derivative. The full energy-level spectrum and the orientations of the magnetic anisotropy axes have been determined by means of continuous-wave electron paramagnetic resonance experiments, using X-band (9-10 GHz) cavities and on-chip superconducting waveguides and 1.5-GHz resonators. The results show that seven allowed transitions between the 2 S +1 spin states can be separately addressed. Spin coherence T2 and spin-lattice relaxation T1 rates have been measured for each of these transitions in properly oriented single crystals. The results suggest that quantum spin coherence is limited by residual dipolar interactions with neighbor electronic spins. Coherent Rabi oscillations have been observed for all transitions. The Rabi frequencies increase with microwave power and agree quantitatively with predictions based on the spin Hamiltonian of the molecular spin. We argue that the spin states of each Gd3 + ion can be mapped onto the states of three addressable qubits (or, alternatively, of a d =8 -level "qudit"), for which the seven allowed transitions form a universal set of operations. Within this scheme, one of the coherent oscillations observed experimentally provides an implementation of a controlled-controlled-NOT (or Toffoli) three-qubit gate.

A DNA-based nanomechanical device with three robust states.

PubMed

Chakraborty, Banani; Sha, Ruojie; Seeman, Nadrian C

2008-11-11

DNA has been used to build a variety of devices, ranging from those that are controlled by DNA structural transitions to those that are controlled by the addition of specific DNA strands. These sequence-dependent devices fulfill the promise of DNA in nanotechnology because a variety of devices in the same physical environment can be controlled individually. Many such devices have been reported, but most of them contain one or two structurally robust end states, in addition to a floppy intermediate or even a floppy end state. We describe a system in which three different structurally robust end states can be obtained, all resulting from the addition of different set strands to a single floppy intermediate. This system is an extension of the PX-JX(2) DNA device. The three states are related to each other by three different motions, a twofold rotation, a translation of approximately 2.1-2.5 nm, and a twofold screw rotation, which combines these two motions. We demonstrate the transitions by gel electrophoresis, by fluorescence resonance energy transfer, and by atomic force microscopy. The control of this system by DNA strands opens the door to trinary logic and to systems containing N devices that are able to attain 3(N) structural states.

A DNA-based nanomechanical device with three robust states

PubMed Central

Chakraborty, Banani; Sha, Ruojie; Seeman, Nadrian C.

2008-01-01

DNA has been used to build a variety of devices, ranging from those that are controlled by DNA structural transitions to those that are controlled by the addition of specific DNA strands. These sequence-dependent devices fulfill the promise of DNA in nanotechnology because a variety of devices in the same physical environment can be controlled individually. Many such devices have been reported, but most of them contain one or two structurally robust end states, in addition to a floppy intermediate or even a floppy end state. We describe a system in which three different structurally robust end states can be obtained, all resulting from the addition of different set strands to a single floppy intermediate. This system is an extension of the PX-JX2 DNA device. The three states are related to each other by three different motions, a twofold rotation, a translation of ≈2.1–2.5 nm, and a twofold screw rotation, which combines these two motions. We demonstrate the transitions by gel electrophoresis, by fluorescence resonance energy transfer, and by atomic force microscopy. The control of this system by DNA strands opens the door to trinary logic and to systems containing N devices that are able to attain 3N structural states. PMID:18474862

31 CFR 560.406 - Transshipment or transit through the United States.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Iranian-origin goods or goods owned or controlled by the Government of Iran which are intended or destined... foreign goods through the United States which are intended or destined for Iran or the Government of Iran, including entities owned or controlled by the Government of Iran. (c) Goods in which the Government of Iran...

31 CFR 560.406 - Transshipment or transit through the United States.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Iranian-origin goods or goods owned or controlled by the Government of Iran which are intended or destined... foreign goods through the United States which are intended or destined for Iran or the Government of Iran, including entities owned or controlled by the Government of Iran. (c) Goods in which the Government of Iran...

Effect of density feedback on the two-route traffic scenario with bottleneck

NASA Astrophysics Data System (ADS)

Sun, Xiao-Yan; Ding, Zhong-Jun; Huang, Guo-Hua

2016-12-01

In this paper, we investigate the effect of density feedback on the two-route scenario with a bottleneck. The simulation and theory analysis shows that there exist two critical vehicle entry probabilities αc1 and αc2. When vehicle entry probability α≤αc1, four different states, i.e. free flow state, transition state, maximum current state and congestion state are identified in the system, which correspond to three critical reference densities. However, in the interval αc1<α<αc2, the free flow and transition state disappear, and there is only congestion state when α≥αc2. According to the results, traffic control center can adjust the reference density so that the system is in maximum current state. In this case, the capacity of the traffic system reaches maximum so that drivers can make full use of the roads. We hope that the study results can provide good advice for alleviating traffic jam and be useful to traffic control center for designing advanced traveller information systems.

Fractionalized Fermi liquid in a Kondo-Heisenberg model

DOE PAGES

Tsvelik, A. M.

2016-10-10

The Kondo-Heisenberg model is used as a controllable tool to demonstrate the existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. Here, I use a nonperturbative approach where the strongest interactions are taken into account by means of exact solution, and corrections are controllable. The resulting metallic state represents a fractionalized Fermi liquid where well defined quasiparticles coexist with gapped fractionalized collective excitations, in agreement with the general requirements formulated by T. Senthil et al. [Phys. Rev. Lett. 90, 216403 (2003)]. Furthermore, the system undergoes amore » phase transition to an ordered phase (charge density wave or superconducting), at the transition temperature which is parametrically small in comparison to the quasiparticle Fermi energy.« less

Ab initio multiple spawning on laser-dressed states: a study of 1,3-cyclohexadiene photoisomerization via light-induced conical intersections

NASA Astrophysics Data System (ADS)

Kim, Jaehee; Tao, Hongli; Martinez, Todd J.; Bucksbaum, Phil

2015-08-01

We extend the ab initio multiple spawning method to include both field-free and field-induced nonadiabatic transitions. We apply this method to describe ultrafast pump-probe experiments of the photoinduced ring-opening of gas phase 1,3-cyclohexadiene. In the absence of a control field, nonadiabatic transitions mediated by a conical intersection (CoIn) lead to rapid ground state recovery with both 1,3-cyclohexadiene and ring-opened hexatriene products. However, application of a control field within the first 200 fs after photoexcitation results in suppression of the hexatriene product. We demonstrate that this is a consequence of population dumping prior to reaching the CoIn and further interpret this in terms of light-induced CoIns created by the control field.

Exploratory Study on VO2 On-kinetics During Treadmill Walking in Women With Systemic Lupus Erythematosus

PubMed Central

Keyser, Randall E.; Rus, Violeta; Mikdashi, Jamal A.; Handwerger, Barry S.

2010-01-01

Objective To determine if oxygen consumption (VO2) on-kinetics differed between groups of women with systemic lupus erythematosus (SLE) and sedentary but otherwise healthy controls. Design Exploratory case control study. Setting Medical school exercise physiology laboratory. Participants Convenience samples of 12 women with SLE and 10 sedentary but otherwise healthy controls. Intervention None. Main Outcome Measurements VO2 on-kinetics indices including time to steady state, rate constant, mean response time (MRT), transition constant, and oxygen deficit measured during bouts of treadmill walking at intensities of 3-METS and 5-METS. Results Time to steady state and oxygen deficit were increased and rate constant was decreased in the women with SLE compared to controls. At the 5-MET energy demand, the transition constant was lower and MRT was longer in the women with SLE than in the controls. For a comparable, relative energy expenditure that was slightly lower than the anaerobic threshold, the transition constant was higher in the controls than in the women with SLE. Conclusion VO2 on-kinetics was prolonged in the women with SLE. The prolongation was concomitant with an increase in oxygen deficit and may underlie performance fatigability in women with SLE. PMID:20801259

Evolutionary transitions in controls reconcile adaptation with continuity of evolution.

PubMed

Badyaev, Alexander V

2018-05-19

Evolution proceeds by accumulating functional solutions, necessarily forming an uninterrupted lineage from past solutions of ancestors to the current design of extant forms. At the population level, this process requires an organismal architecture in which the maintenance of local adaptation does not preclude the ability to innovate in the same traits and their continuous evolution. Representing complex traits as networks enables us to visualize a fundamental principle that resolves tension between adaptation and continuous evolution: phenotypic states encompassing adaptations traverse the continuous multi-layered landscape of past physical, developmental and functional associations among traits. The key concept that captures such traversing is network controllability - the ability to move a network from one state into another while maintaining its functionality (reflecting evolvability) and to efficiently propagate information or products through the network within a phenotypic state (maintaining its robustness). Here I suggest that transitions in network controllability - specifically in the topology of controls - help to explain how robustness and evolvability are balanced during evolution. I will focus on evolutionary transitions in degeneracy of metabolic networks - a ubiquitous property of phenotypic robustness where distinct pathways achieve the same end product - to suggest that associated changes in network controls is a common rule underlying phenomena as distinct as phenotypic plasticity, organismal accommodation of novelties, genetic assimilation, and macroevolutionary diversification. Capitalizing on well understood principles by which network structure translates into function of control nodes, I show that accumulating redundancy in one type of network controls inevitably leads to the emergence of another type of controls, forming evolutionary cycles of network controllability that, ultimately, reconcile local adaptation with continuity of evolution. Copyright © 2018 Elsevier Ltd. All rights reserved.

Control of the metal-insulator transition in vanadium dioxide by modifying orbital occupancy

NASA Astrophysics Data System (ADS)

Aetukuri, Nagaphani B.; Gray, Alexander X.; Drouard, Marc; Cossale, Matteo; Gao, Li; Reid, Alexander H.; Kukreja, Roopali; Ohldag, Hendrik; Jenkins, Catherine A.; Arenholz, Elke; Roche, Kevin P.; Dürr, Hermann A.; Samant, Mahesh G.; Parkin, Stuart S. P.

2013-10-01

External control of the conductivity of correlated oxides is one of the most promising schemes for realizing energy-efficient electronic devices. Vanadium dioxide (VO2), an archetypal correlated oxide compound, undergoes a temperature-driven metal-insulator transition near room temperature with a concomitant change in crystal symmetry. Here, we show that the metal-insulator transition temperature of thin VO2(001) films can be changed continuously from ~285 to ~345K by varying the thickness of the RuO2 buffer layer (resulting in different epitaxial strains). Using strain-, polarization- and temperature-dependent X-ray absorption spectroscopy, in combination with X-ray diffraction and electronic transport measurements, we demonstrate that the transition temperature and the structural distortion across the transition depend on the orbital occupancy in the metallic state. Our findings open up the possibility of controlling the conductivity in atomically thin VO2 layers by manipulating the orbital occupancy by, for example, heterostructural engineering.

Thermodynamic behavior of a phase transition in a model for sympatric speciation

NASA Astrophysics Data System (ADS)

Luz-Burgoa, K.; Moss de Oliveira, S.; Schwämmle, Veit; Sá Martins, J. S.

2006-08-01

We investigate the macroscopic effects of the ingredients that drive the origin of species through sympatric speciation. In our model, sympatric speciation is obtained as we tune up the strength of competition between individuals with different phenotypes. As a function of this control parameter, we can characterize, through the behavior of a macroscopic order parameter, a phase transition from a nonspeciation to a speciation state of the system. The behavior of the first derivative of the order parameter with respect to the control parameter is consistent with a phase transition and exhibits a sharp peak at the transition point. For different resources distribution, the transition point is shifted, an effect similar to pressure in a PVT system. The inverse of the parameter related to a sexual selection strength behaves like an external field in the system and, as thus, is also a control parameter. The macroscopic effects of the biological parameters used in our model are a reminiscent of the behavior of thermodynamic quantities in a phase transition of an equilibrium physical system.

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

Pickerell, D.H.; Abkowitz, M.; Tozzi, J.

The 9 papers in the report deal with the following areas: Federal operating assistance for urban mass transit; a decade of experience; transit route characteristics and headway-based reliability control; day-of-week and part-of-month variation in bus ridership; job satisfaction and transit operator recognition programs; results of a survey of muni operators; bus marketing costs: the experience of 18 section 15 reporters from 1981 to 1983; prospects for differential transit pricing in the United States; an initial analysis of total factor productivity for public-transit coordination of transportation resources: the Georgia experience; absenteeism, accidents, and attrition: part-time versus full-time bus drivers.

Otx2 is an intrinsic determinant of the embryonic stem cell state and is required for transition to a stable epiblast stem cell condition.

PubMed

Acampora, Dario; Di Giovannantonio, Luca G; Simeone, Antonio

2013-01-01

Mouse embryonic stem cells (ESCs) represent the naïve ground state of the preimplantation epiblast and epiblast stem cells (EpiSCs) represent the primed state of the postimplantation epiblast. Studies have revealed that the ESC state is maintained by a dynamic mechanism characterized by cell-to-cell spontaneous and reversible differences in sensitivity to self-renewal and susceptibility to differentiation. This metastable condition ensures indefinite self-renewal and, at the same time, predisposes ESCs for differentiation to EpiSCs. Despite considerable advances, the molecular mechanism controlling the ESC state and pluripotency transition from ESCs to EpiSCs have not been fully elucidated. Here we show that Otx2, a transcription factor essential for brain development, plays a crucial role in ESCs and EpiSCs. Otx2 is required to maintain the ESC metastable state by antagonizing ground state pluripotency and promoting commitment to differentiation. Furthermore, Otx2 is required for ESC transition into EpiSCs and, subsequently, to stabilize the EpiSC state by suppressing, in pluripotent cells, the mesendoderm-to-neural fate switch in cooperation with BMP4 and Fgf2. However, according to its central role in neural development and differentiation, Otx2 is crucially required for the specification of ESC-derived neural precursors fated to generate telencephalic and mesencephalic neurons. We propose that Otx2 is a novel intrinsic determinant controlling the functional integrity of ESCs and EpiSCs.

Disorder-induced localization in crystalline phase-change materials.

PubMed

Siegrist, T; Jost, P; Volker, H; Woda, M; Merkelbach, P; Schlockermann, C; Wuttig, M

2011-03-01

Localization of charge carriers in crystalline solids has been the subject of numerous investigations over more than half a century. Materials that show a metal-insulator transition without a structural change are therefore of interest. Mechanisms leading to metal-insulator transition include electron correlation (Mott transition) or disorder (Anderson localization), but a clear distinction is difficult. Here we report on a metal-insulator transition on increasing annealing temperature for a group of crystalline phase-change materials, where the metal-insulator transition is due to strong disorder usually associated only with amorphous solids. With pronounced disorder but weak electron correlation, these phase-change materials form an unparalleled quantum state of matter. Their universal electronic behaviour seems to be at the origin of the remarkable reproducibility of the resistance switching that is crucial to their applications in non-volatile-memory devices. Controlling the degree of disorder in crystalline phase-change materials might enable multilevel resistance states in upcoming storage devices.

Impact of formulation and process variables on solid-state stability of theophylline in controlled release formulations.

PubMed

Korang-Yeboah, Maxwell; Rahman, Ziyaur; Shah, Dhaval; Mohammad, Adil; Wu, Suyang; Siddiqui, Akhtar; Khan, Mansoor A

2016-02-29

Understanding the impact of pharmaceutical processing, formulation excipients and their interactions on the solid-state transitions of pharmaceutical solids during use and in storage is critical in ensuring consistent product performance. This study reports the effect of polymer viscosity, diluent type, granulation and granulating fluid (water and isopropanol) on the pseudopolymorphic transition of theophylline anhydrous (THA) in controlled release formulations as well as the implications of this transition on critical quality attributes of the tablets. Accordingly, 12 formulations were prepared using a full factorial screening design and monitored over a 3 month period at 40 °C and 75%. Physicochemical characterization revealed a drastic drop in tablet hardness accompanied by a very significant increase in moisture content and swelling of all formulations. Spectroscopic analysis (ssNMR, Raman, NIR and PXRD) indicated conversion of THA to theophylline monohydrate (TMO) in all formulations prepared by aqueous wet granulation in as early as two weeks. Although all freshly prepared formulations contained THA, the hydration-dehydration process induced during aqueous wet granulation hastened the pseudopolymorphic conversion of theophylline during storage through a cascade of events. On the other hand, no solid state transformation was observed in directly compressed formulations and formulations in which isopropanol was employed as a granulating fluid even after the twelve weeks study period. The transition of THA to TMO resulted in a decrease in dissolution while an increase in dissolution was observed in directly compressed and IPA granulated formulation. Consequently, the impact of pseudopolymorphic transition of theophylline on dissolution in controlled release formulations may be the net result of two opposing factors: swelling and softening of the tablets which tend to favor an increase in drug dissolution and hydration of theophylline which decreases the drug dissolution. Published by Elsevier B.V.

Experimental observation of carrier-envelope-phase effects by multicycle pulses

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

Jha, Pankaj K.; Scully, Marlan O.; Mechanical and Aerospace Engineering and the Princeton Institute for the Science and Technology of Materials, Princeton University, Princeton, New Jersey 08544

2011-03-15

We present an experimental and theoretical study of carrier-envelope-phase (CEP) effects on the population transfer between two bound atomic states interacting with pulses consisting of many cycles. Using intense radio-frequency pulse with Rabi frequency of the order of the atomic transition frequency, we investigate the influence of the CEP on the control of phase-dependent multiphoton transitions between the Zeeman sublevels of the ground state of {sup 87}Rb. Our scheme has no limitation on the duration of the pulses. Extending the CEP control to longer pulses creates interesting possibilities to generate pulses with accuracy that is better than the period ofmore » optical oscillations.« less

Study of ground state optical transfer for ultracold alkali dimers

NASA Astrophysics Data System (ADS)

Bouloufa-Maafa, Nadia; Londono, Beatriz; Borsalino, Dimitri; Vexiau, Romain; Mahecha, Jorge; Dulieu, Olivier; Luc-Koenig, Eliane

2013-05-01

Control of molecular states by laser pulses offer promising potential applications. The manipulation of molecules by external fields requires precise knowledge of the molecular structure. Our motivation is to perform a detailed analysis of the spectroscopic properties of alkali dimers, with the aim to determine efficient optical paths to form molecules in the absolute ground state and to determine the optimal parameters of the optical lattices where those molecules are manipulated to avoid losses by collisions. To this end, we use state of the art molecular potentials, R-dependent spin-orbit coupling and transition dipole moment to perform our calculations. R-dependent SO coupling are of crucial importance because the transitions occur at internuclear distances where they are affected by this R-dependence. Efficient schemes to transfer RbCs, KRb and KCs to the absolute ground state as well as the optimal parameters of the optical lattices will be presented. This work was supported in part by ``Triangle de la Physique'' under contract 2008-007T-QCCM (Quantum Control of Cold Molecules).

Stark tuning and electrical charge state control of single divacancies in silicon carbide

NASA Astrophysics Data System (ADS)

de las Casas, Charles F.; Christle, David J.; Ul Hassan, Jawad; Ohshima, Takeshi; Son, Nguyen T.; Awschalom, David D.

2017-12-01

Neutrally charged divacancies in silicon carbide (SiC) are paramagnetic color centers whose long coherence times and near-telecom operating wavelengths make them promising for scalable quantum communication technologies compatible with existing fiber optic networks. However, local strain inhomogeneity can randomly perturb their optical transition frequencies, which degrades the indistinguishability of photons emitted from separate defects and hinders their coupling to optical cavities. Here, we show that electric fields can be used to tune the optical transition frequencies of single neutral divacancy defects in 4H-SiC over a range of several GHz via the DC Stark effect. The same technique can also control the charge state of the defect on microsecond timescales, which we use to stabilize unstable or non-neutral divacancies into their neutral charge state. Using fluorescence-based charge state detection, we show that both 975 nm and 1130 nm excitation can prepare their neutral charge state with near unity efficiency.

Phased models for evaluating the performability of computing systems

NASA Technical Reports Server (NTRS)

Wu, L. T.; Meyer, J. F.

1979-01-01

A phase-by-phase modelling technique is introduced to evaluate a fault tolerant system's ability to execute different sets of computational tasks during different phases of the control process. Intraphase processes are allowed to differ from phase to phase. The probabilities of interphase state transitions are specified by interphase transition matrices. Based on constraints imposed on the intraphase and interphase transition probabilities, various iterative solution methods are developed for calculating system performability.

Effect of bowel cleansing on colonic transit in constipation due to slow transit or evacuation disorder.

PubMed

Sloots, C E J; Felt-Bersma, R J F

2002-02-01

Colon transit time measurement with radio-opaque markers is a method of studying the passage of luminal contents throughout the colon. Overall colonic transit time (CTT), as well as segmental transit times [right (RTT), left (LTT) and rectosigmoid (RSTT)], can be calculated. We hypothesize that CTT is influenced by faecal impaction when the rectum is emptied infrequently. The aim of this study is to investigate the effect of bowel cleansing on colonic transit time in patients with chronic constipation. In 25 women (age 41 years; range 20-65 years) with constipation according to Thompson criteria, CTT measurement was performed in an unprepared situation and repeated after cleansing with 4 L of Klean-Prepreg. Ten healthy female volunteers (age 41 years; range 27-57 years) were used as controls. In constipated patients, CTT decreased from a median 70 h (range 10-130 h) to 48 h (5-94 h) in the cleansed state (P < 0.001). A shortening of transit time was found in all three segments. In 10 patients with slow transit (ST) (CTT > 86 h), CTT decreased from 110 h (range 94-130) to 86 (38-94) (P < 0.001). Five of the 10 patients with ST before bowel cleansing had a CTT below 86 h after cleansing. In female controls, uncleansed CTT and RSTT shortened from 39 h (23 to 62) and 17 h (8-29) to 29 h (17-48) and 10 h (0-20) after bowel cleansing (P=0.058 and P=0.046). Colonic intraluminal contents have a substantial effect on colonic transit. In female controls, bowel cleansing shortened rectosigmoid transit. Women with constipation had faster transit in the cleansed state, however, the distribution of markers was not altered. Despite the effect of bowel cleansing on CTT, it seems unnecessary to prepare the bowel in clinical practice because the differentiation of patients between slow transit constipation and outlet obstruction is not changed. However, because in an infrequent defecation pattern, the influence of faecal impaction is considerable, CTT should be applied with care for critical clinical decisions in the treatment of constipation.

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

PubMed

Zhang, Yajun; Sahoo, Mpk; Wang, Jie

2016-09-23

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

Phase Transition in a Healthy Human Heart Rate

NASA Astrophysics Data System (ADS)

Kiyono, Ken; Struzik, Zbigniew R.; Aoyagi, Naoko; Togo, Fumiharu; Yamamoto, Yoshiharu

2005-07-01

A healthy human heart rate displays complex fluctuations which share characteristics of physical systems in a critical state. We demonstrate that the human heart rate in healthy individuals undergoes a dramatic breakdown of criticality characteristics, reminiscent of continuous second order phase transitions. By studying the germane determinants, we show that the hallmark of criticality—highly correlated fluctuations—is observed only during usual daily activity, and a breakdown of these characteristics occurs in prolonged, strenuous exercise and sleep. This finding is the first reported discovery of the dynamical phase transition phenomenon in a biological control system and will be a key to understanding the heart rate control system in health and disease.

Rangifer management controls a climate-sensitive tundra state transition.

PubMed

Bråthen, Kari Anne; Ravolainen, Virve Tuulia; Stien, Audun; Tveraa, Torkild; Ims, Rolf A

2017-12-01

Rangifer (caribou/reindeer) management has been suggested to mitigate the temperature-driven transition of Arctic tundra into a shrubland state, yet how this happens is uncertain. Here we study this much focused ecosystem state transition in riparian areas, where palatable willows (Salix) are dominant tall shrubs and highly responsive to climate change. For the state transition to take place, small life stages must become tall and abundant. Therefore we predicted that the performance of small life stages (potential recruits) of the tall shrubs were instrumental to the focal transition, where Rangifer managed at high population density would keep the small-stage shrubs in a "browse trap" independent of summer temperature. We used a large-scale quasi-experimental study design that included real management units that spanned a wide range of Rangifer population densities and summer temperatures in order to assess the relative importance of these two driving variables. Ground surveys provided data on density and height of the small shrub life stages, while the distributional limit (shrubline) of established shrublands (the tall shrub life stage) was derived from aerial photographs. Where Rangifer densities were above a threshold of approximately 5 animals/km 2 , we found, in accordance with the expectation of a "browse trap," that the small life stages of shrubs in grasslands were at low height and low abundance. At Rangifer densities below this threshold, the small life stages of shrubs were taller and more abundant indicating Rangifer were no longer in control of the grassland state. For the established shrubland state, we found that the shrubline was at a 100-m lower elevation in the management units where Rangifer had been browsing in summer as opposed to the migratory ranges with no browsing in summer. In both seasonal ranges, the shrubline increased 100 m per 1°C increment in temperature. Our study supports the proposal that Rangifer management within a sustainable range of animal densities can mitigate the much-focused transition from grassland to shrubland in a warming Arctic. © 2017 by the Ecological Society of America.

Delocalization Drives Free Charge Generation in Conjugated Polymer Films

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

Pace, Natalie A.; Reid, Obadiah G.; Rumbles, Garry

We demonstrate that the product of photoinduced electron transfer between a conjugated polymer host and a dilute molecular sensitizer is controlled by the structural state of the polymer. Ordered semicrystalline solids exhibit free charge generation, while disordered polymers in the melt phase do not. We use photoluminescence (PL) and time-resolved microwave conductivity (TRMC) measurements to sweep through polymer melt transitions in situ. Free charge generation measured by TRMC turns off upon melting, whereas PL quenching of the molecular sensitizers remains constant, implying unchanged electron transfer efficiency. The key difference is the intermolecular order of the polymer host in the solidmore » state compared to the melt. We propose that this order-disorder transition modulates the localization length of the initial charge-transfer state, which controls the probability of free charge formation.« less

Delocalization Drives Free Charge Generation in Conjugated Polymer Films

DOE PAGES

Pace, Natalie A.; Reid, Obadiah G.; Rumbles, Garry

2018-02-19

We demonstrate that the product of photoinduced electron transfer between a conjugated polymer host and a dilute molecular sensitizer is controlled by the structural state of the polymer. Ordered semicrystalline solids exhibit free charge generation, while disordered polymers in the melt phase do not. We use photoluminescence (PL) and time-resolved microwave conductivity (TRMC) measurements to sweep through polymer melt transitions in situ. Free charge generation measured by TRMC turns off upon melting, whereas PL quenching of the molecular sensitizers remains constant, implying unchanged electron transfer efficiency. The key difference is the intermolecular order of the polymer host in the solidmore » state compared to the melt. We propose that this order-disorder transition modulates the localization length of the initial charge-transfer state, which controls the probability of free charge formation.« less

Interparticle interactions mediated superspin glass to superferromagnetic transition in Ni-bacterial cellulose aerogel nanocomposites

NASA Astrophysics Data System (ADS)

Thiruvengadam, V.; Vitta, Satish

2016-06-01

The interparticle interactions in the magnetic nanocomposites play a dominant role in controlling phase transitions: superparamagnetic to superspin glass and to superferromagnetic. These interactions can be tuned by controlling the size and number density of nanoparticles. The aerogel composites, 0.3Ni-BC and 0.7Ni-BC, consisting of Ni nanoparticles distributed in the bacterial cellulose have been used as a model system to study these interactions. Contrary to conventional approach, size of Ni-nanoparticles is not controlled and allowed to form naturally in bacterial cellulose template. The uncontrolled growth of Ni results in the formation of nanoparticles with 3 different size distributions - <10 nm particles along the length of fibrils, 50 nm particles in the intermediate spaces between the fibrils, and >100 nm particles in voids formed by reticulate structure. At room temperature, the composites exhibit a weakly ferromagnetic behaviour with a coercivity of 40 Oe, which increases to 160 Oe at 10 K. The transition from weakly ferromagnetic state to superferromagnetic state at low temperatures is mediated by the superspin glass state at intermediate temperatures via the interparticle interactions aided by nanoparticles present along the length of fibres. A temperature dependent microstructural model has been developed to understand the magnetic behaviour of nanocomposite aerogels.

Fluctuations When Driving Between Nonequilibrium Steady States

NASA Astrophysics Data System (ADS)

Riechers, Paul M.; Crutchfield, James P.

2017-08-01

Maintained by environmental fluxes, biological systems are thermodynamic processes that operate far from equilibrium without detailed-balanced dynamics. Yet, they often exhibit well defined nonequilibrium steady states (NESSs). More importantly, critical thermodynamic functionality arises directly from transitions among their NESSs, driven by environmental switching. Here, we identify the constraints on excess heat and dissipated work necessary to control a system that is kept far from equilibrium by background, uncontrolled "housekeeping" forces. We do this by extending the Crooks fluctuation theorem to transitions among NESSs, without invoking an unphysical dual dynamics. This and corresponding integral fluctuation theorems determine how much work must be expended when controlling systems maintained far from equilibrium. This generalizes thermodynamic feedback control theory, showing that Maxwellian Demons can leverage mesoscopic-state information to take advantage of the excess energetics in NESS transitions. We also generalize an approach recently used to determine the work dissipated when driving between functionally relevant configurations of an active energy-consuming complex system. Altogether, these results highlight universal thermodynamic laws that apply to the accessible degrees of freedom within the effective dynamic at any emergent level of hierarchical organization. By way of illustration, we analyze a voltage-gated sodium ion channel whose molecular conformational dynamics play a critical functional role in propagating action potentials in mammalian neuronal membranes.

Large Angle Satellite Attitude Maneuvers

NASA Technical Reports Server (NTRS)

Cochran, J. E.; Junkins, J. L.

1975-01-01

Two methods are proposed for performing large angle reorientation maneuvers. The first method is based upon Euler's rotation theorem; an arbitrary reorientation is ideally accomplished by rotating the spacecraft about a line which is fixed in both the body and in space. This scheme has been found to be best suited for the case in which the initial and desired attitude states have small angular velocities. The second scheme is more general in that a general class of transition trajectories is introduced which, in principle, allows transfer between arbitrary orientation and angular velocity states. The method generates transition maneuvers in which the uncontrolled (free) initial and final states are matched in orientation and angular velocity. The forced transition trajectory is obtained by using a weighted average of the unforced forward integration of the initial state and the unforced backward integration of the desired state. The current effort is centered around practical validation of this second class of maneuvers. Of particular concern is enforcement of given control system constraints and methods for suboptimization by proper selection of maneuver initiation and termination times. Analogous reorientation strategies which force smooth transition in angular momentum and/or rotational energy are under consideration.

State transitions and physicochemical aspects of cryoprotection and stabilization in freeze-drying of Lactobacillus rhamnosus GG (LGG).

PubMed

Pehkonen, K S; Roos, Y H; Miao, S; Ross, R P; Stanton, C

2008-06-01

The frozen and dehydrated state transitions of lactose and trehalose were determined and studied as factors affecting the stability of probiotic bacteria to understand physicochemical aspects of protection against freezing and dehydration of probiotic cultures. Lactobacillus rhamnosus GG was frozen (-22 or -43 degrees C), freeze-dried and stored under controlled water vapour pressure (0%, 11%, 23% and 33% relative vapour pressure) conditions. Lactose, trehalose and their mixture (1 : 1) were used as protective media. These systems were confirmed to exhibit relatively similar state transition and water plasticization behaviour in freeze-concentrated and dehydrated states as determined by differential scanning calorimetry. Ice formation and dehydrated materials were studied using cold-stage microscopy and scanning electron microscopy. Trehalose and lactose-trehalose gave the most effective protection of cell viability as observed from colony forming units after freezing, dehydration and storage. Enhanced cell viability was observed when the freezing temperature was -43 degrees C. State transitions of protective media affect ice formation and cell viability in freeze-drying and storage. Formation of a maximally freeze-concentrated matrix with entrapped microbial cells is essential in freezing prior to freeze-drying. Freeze-drying must retain a solid amorphous state of protectant matrices. Freeze-dried matrices contain cells entrapped in the protective matrices in the freezing process. The retention of viability during storage seems to be controlled by water plasticization of the protectant matrix and possibly interactions of water with the dehydrated cells. Highest cell viability was obtained in glassy protective media. This study shows that physicochemical properties of protective media affect the stability of dehydrated cultures. Trehalose and lactose may be used in combination, which is particularly important for the stabilization of probiotic bacteria in dairy systems.

Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method.

PubMed

Lu, Qing; Kim, Jaegil; Straub, John E

2013-03-14

The generalized Replica Exchange Method (gREM) is extended into the isobaric-isothermal ensemble, and applied to simulate a vapor-liquid phase transition in Lennard-Jones fluids. Merging an optimally designed generalized ensemble sampling with replica exchange, gREM is particularly well suited for the effective simulation of first-order phase transitions characterized by "backbending" in the statistical temperature. While the metastable and unstable states in the vicinity of the first-order phase transition are masked by the enthalpy gap in temperature replica exchange method simulations, they are transformed into stable states through the parameterized effective sampling weights in gREM simulations, and join vapor and liquid phases with a succession of unimodal enthalpy distributions. The enhanced sampling across metastable and unstable states is achieved without the need to identify a "good" order parameter for biased sampling. We performed gREM simulations at various pressures below and near the critical pressure to examine the change in behavior of the vapor-liquid phase transition at different pressures. We observed a crossover from the first-order phase transition at low pressure, characterized by the backbending in the statistical temperature and the "kink" in the Gibbs free energy, to a continuous second-order phase transition near the critical pressure. The controlling mechanisms of nucleation and continuous phase transition are evident and the coexistence properties and phase diagram are found in agreement with literature results.

Marginal states in a cubic autocatalytic reaction

NASA Astrophysics Data System (ADS)

Das, Debojyoti; Ghosh, Pushpita; Ray, Deb Shankar

2011-09-01

Marginal steady state belongs to a special class of states in nonlinear dynamics. To realize this state we consider a cubic autocatalytic reaction A + 2B → 3B in a continuous-stirred-tank-reactor, where the flow rate of the reactant A can be controlled to manipulate the dynamical behavior of the open system. We demonstrate that when the flow rate is weakly noisy the autocatalytic reaction admits of a steady state which is marginal in nature and is surrounded by infinite number of periodic trajectories. When the uncatalyzed reaction A → B is included in the reaction scheme, there exists a marginal steady state which is a critical state corresponding to the point of transition between the flow branch and the equilibrium branch, similar to gas-liquid critical point of transition. This state loses its stability in the weak noise limit.

Reconfiguration of a smart surface using heteroclinic connections

PubMed Central

McInnes, Colin R.; Xu, Ming

2017-01-01

A reconfigurable smart surface with multiple equilibria is presented, modelled using discrete point masses and linear springs with geometric nonlinearity. An energy-efficient reconfiguration scheme is then investigated to connect equal-energy unstable (but actively controlled) equilibria. In principle, zero net energy input is required to transition the surface between these unstable states, compared to transitions between stable equilibria across a potential barrier. These transitions between equal-energy unstable states, therefore, form heteroclinic connections in the phase space of the problem. Moreover, the smart surface model developed can be considered as a unit module for a range of applications, including modules which can aggregate together to form larger distributed smart surface systems. PMID:28265191

Transitions between multiple equilibria of paleo climate: a glimpse in to the dynamics of abrupt climate change

NASA Astrophysics Data System (ADS)

Ferreira, David; Marshall, John; Ito, Takamitsu; McGee, David; Moreno-Chamarro, Eduardo

2017-04-01

The dynamics regulating large climatic transitions such as glacial-interglacial cycles or DO events remains a puzzle. Forcings behind these transitions are not robustly identified and potential candidates (e.g. Milankovitch cycles, freshwater perturbations) often appear too weak to explain such dramatic transitions. A potential solution to this long-standing puzzle is that Earth's climate is endowed with multiple equilibrium states of global extent. Such states are commonly found in low-order or conceptual climate models, but it is unclear whether a system as complex as Earth's climate can sustain multiple equilibrium states. Here we report that multiple equilibrium states of the climate system are also possible in a complex, fully dynamical coupled ocean-atmosphere-sea ice GCM with idealized Earth-like geometry, resolved weather systems and a hydrological cycle. In our model, two equilibrium states coexist for the same parameters and external forcings: a Warm climate with a small Northern hemisphere sea ice cap and a large southern one and a Cold climate with large ice caps at both poles. The dynamical states of the Warm and Cold solutions exhibit striking similarities with our present-day climate and the climate of the Last Glacial Maximum, respectively. A carbon cycle model driven by the two dynamical states produces an atmospheric pCO2 draw-down of about 110 pm between the Warm and Cold states, close to Glacial-Interglacial differences found in ice cores. Mechanism controlling the existence of the multiple states and changes in the atmospheric CO2 will be briefly presented. Finally we willdescribe transition experiments from the Cold to the Warm state, focusing on the lead-lags in the system, notably between the Northern and Southern Hemispheres climates.

Electrical control of 2D magnetism in bilayer CrI 3

DOE PAGES

Huang, Bevin; Clark, Genevieve; Klein, Dahlia R.; ...

2018-04-23

Controlling magnetism via electric fields addresses fundamental questions of magnetic phenomena and phase transitions, and enables the development of electrically coupled spintronic devices, such as voltage-controlled magnetic memories with low operation energy. Previous studies on dilute magnetic semiconductors such as (Ga,Mn)As and (In,Mn)Sb have demonstrated large modulations of the Curie temperatures and coercive fields by altering the magnetic anisotropy and exchange interaction. Owing to their unique magnetic properties, the recently reported two-dimensional magnets provide a new system for studying these features. For instance, a bilayer of chromium triiodide (CrI 3) behaves as a layered antiferromagnet with a magnetic field-driven metamagneticmore » transition. Here, we demonstrate electrostatic gate control of magnetism in CrI 3 bilayers, probed by magneto-optical Kerr effect (MOKE) microscopy. At fixed magnetic fields near the metamagnetic transition, we realize voltage-controlled switching between antiferromagnetic and ferromagnetic states. At zero magnetic field, we demonstrate a time-reversal pair of layered antiferromagnetic states that exhibit spin-layer locking, leading to a linear dependence of their MOKE signals on gate voltage with opposite slopes. Here, our results allow for the exploration of new magnetoelectric phenomena and van der Waals spintronics based on 2D materials.« less

Electrical control of 2D magnetism in bilayer CrI 3

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

Huang, Bevin; Clark, Genevieve; Klein, Dahlia R.

Controlling magnetism via electric fields addresses fundamental questions of magnetic phenomena and phase transitions, and enables the development of electrically coupled spintronic devices, such as voltage-controlled magnetic memories with low operation energy. Previous studies on dilute magnetic semiconductors such as (Ga,Mn)As and (In,Mn)Sb have demonstrated large modulations of the Curie temperatures and coercive fields by altering the magnetic anisotropy and exchange interaction. Owing to their unique magnetic properties, the recently reported two-dimensional magnets provide a new system for studying these features. For instance, a bilayer of chromium triiodide (CrI 3) behaves as a layered antiferromagnet with a magnetic field-driven metamagneticmore » transition. Here, we demonstrate electrostatic gate control of magnetism in CrI 3 bilayers, probed by magneto-optical Kerr effect (MOKE) microscopy. At fixed magnetic fields near the metamagnetic transition, we realize voltage-controlled switching between antiferromagnetic and ferromagnetic states. At zero magnetic field, we demonstrate a time-reversal pair of layered antiferromagnetic states that exhibit spin-layer locking, leading to a linear dependence of their MOKE signals on gate voltage with opposite slopes. Here, our results allow for the exploration of new magnetoelectric phenomena and van der Waals spintronics based on 2D materials.« less

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-03-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-06-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

System Design and Nonlinear State-Dependent Riccati Equation Control of an Autonomous Y-4 Tilt-Rotor Aerobot for Martian Exploration

NASA Astrophysics Data System (ADS)

Collins, Nathan Scott

Surrey Space Centre (SSC) has been working on an autonomous fixed-wing all-electric vertical take-off and landing (VTOL) aerobot for the exploration of Mars for several years. SSC's previous designs have incorporated separate vertical lift and horizontal pusher rotors as well as a mono tilt-rotor configuration. The Martian aerobot's novel Y-4 tilt-rotor (Y4TR) design is a combination of two previous SSC designs and a step forward for planetary aerobots. The aerobot will fly as a Y4 multi-rotor during vertical flight and as a conventional flying wing during horizontal flight. The more robust Y4TR configuration utilizes two large fixed coaxial counter rotating rotors and two small tilt-rotors for vertical takeoff. The front tilt-rotors rotate during transition flight into the main horizontal flight configuration. The aerobot is a blended wing design with the wings using the "Zagi 10" airfoil blended to a center cover for the coaxial rotors. The open source design and analysis programs XROTOR, CROTOR, Q-BLADE, XFLR5, and OpenVSP were used to design and model the aerobot's four rotors and body. The baseline mission of the Y4TR remains the same as previously reported and will investigate the Isidis Planitia region on Mars over a month long period using optical sensors during flight and a surface science package when landed. During flight operations the aerobot will take off vertically, transition to horizontal flight, fly for around an hour, transition back to vertical flight, and land vertically. The flight missions will take place close to local noon to maximize power production via solar cells during flight. A nonlinear six degree of freedom (6DoF) dynamic model incorporating aerodynamic models of the aerobot's body and rotors has been developed to model the vertical, transition, and horizontal phases of flight. A nonlinear State-Dependent Riccati Equation (SDRE) controller has been developed for each of these flight phases. The nonlinear dynamic model was transformed into a pseudo-linear form based on the states and implemented in the SDRE controller. During transition flight the aerobot is over actuated and the weighted least squares (WLS) method is used for allocation of control effectors. Simulations of the aerobot flying in different configurations were performed to verify the performance of the SDRE controllers, including hover, transition, horizontal flight, altitude changes, and landing scenarios. Results from the simulations show the SDRE controller is a viable option for controlling the novel Y4TR Martian Aerobot.

Computing with dynamical systems based on insulator-metal-transition oscillators

NASA Astrophysics Data System (ADS)

Parihar, Abhinav; Shukla, Nikhil; Jerry, Matthew; Datta, Suman; Raychowdhury, Arijit

2017-04-01

In this paper, we review recent work on novel computing paradigms using coupled oscillatory dynamical systems. We explore systems of relaxation oscillators based on linear state transitioning devices, which switch between two discrete states with hysteresis. By harnessing the dynamics of complex, connected systems, we embrace the philosophy of "let physics do the computing" and demonstrate how complex phase and frequency dynamics of such systems can be controlled, programmed, and observed to solve computationally hard problems. Although our discussion in this paper is limited to insulator-to-metallic state transition devices, the general philosophy of such computing paradigms can be translated to other mediums including optical systems. We present the necessary mathematical treatments necessary to understand the time evolution of these systems and demonstrate through recent experimental results the potential of such computational primitives.

Artificial emotion triggered stochastic behavior transitions with motivational gain effects for multi-objective robot tasks

NASA Astrophysics Data System (ADS)

Dağlarli, Evren; Temeltaş, Hakan

2007-04-01

This paper presents artificial emotional system based autonomous robot control architecture. Hidden Markov model developed as mathematical background for stochastic emotional and behavior transitions. Motivation module of architecture considered as behavioral gain effect generator for achieving multi-objective robot tasks. According to emotional and behavioral state transition probabilities, artificial emotions determine sequences of behaviors. Also motivational gain effects of proposed architecture can be observed on the executing behaviors during simulation.

Structure, bonding, and catalytic activity of monodisperse, transition-metal-substituted CeO2 nanoparticles.

PubMed

Elias, Joseph S; Risch, Marcel; Giordano, Livia; Mansour, Azzam N; Shao-Horn, Yang

2014-12-10

We present a simple and generalizable synthetic route toward phase-pure, monodisperse transition-metal-substituted ceria nanoparticles (M0.1Ce0.9O2-x, M = Mn, Fe, Co, Ni, Cu). The solution-based pyrolysis of a series of heterobimetallic Schiff base complexes ensures a rigorous control of the size, morphology and composition of 3 nm M0.1Ce0.9O2-x crystallites for CO oxidation catalysis and other applications. X-ray absorption spectroscopy confirms the dispersion of aliovalent (M(3+) and M(2+)) transition metal ions into the ceria matrix without the formation of any bulk transition metal oxide phases, while steady-state CO oxidation catalysis reveals an order of magnitude increase in catalytic activity with copper substitution. Density functional calculations of model slabs of these compounds confirm the stabilization of M(3+) and M(2+) in the lattice of CeO2. These results highlight the role of the host CeO2 lattice in stabilizing high oxidation states of aliovalent transition metal dopants that ordinarily would be intractable, such as Cu(3+), as well as demonstrating a rational approach to catalyst design. The current work demonstrates, for the first time, a generalizable approach for the preparation of transition-metal-substituted CeO2 for a broad range of transition metals with unparalleled synthetic control and illustrates that Cu(3+) is implicated in the mechanism for CO oxidation on CuO-CeO2 catalysts.

Origins of the structural phase transitions in MoTe2 and WTe2

NASA Astrophysics Data System (ADS)

Kim, Hyun-Jung; Kang, Seoung-Hun; Hamada, Ikutaro; Son, Young-Woo

2017-05-01

Layered transition metal dichalcogenides MoTe2 and WTe2 share almost similar lattice constants as well as topological electronic properties except their structural phase transitions. While the former shows a first-order phase transition between monoclinic and orthorhombic structures, the latter does not. Using a recently proposed van der Waals density functional method, we investigate structural stability of the two materials and uncover that the disparate phase transitions originate from delicate differences between their interlayer bonding states near the Fermi energy. By exploiting the relation between the structural phase transitions and the low energy electronic properties, we show that a charge doping can control the transition substantially, thereby suggesting a way to stabilize or to eliminate their topological electronic energy bands.

Electronic Structure and Band Gap of Fullerenes on Tungsten Surfaces: Transition from a Semiconductor to a Metal Triggered by Annealing.

PubMed

Monazami, Ehsan; McClimon, John B; Rondinelli, James; Reinke, Petra

2016-12-21

The understanding and control of molecule-metal interfaces is critical to the performance of molecular electronics and photovoltaics devices. We present a study of the interface between C 60 and W, which is a carbide-forming transition metal. The complex solid-state reaction at the interface can be exploited to adjust the electronic properties of the molecule layer. Scanning tunneling microscopy/spectroscopy measurements demonstrate the progression of this reaction from wide band gap (>2.5 eV) to metallic molecular surface during annealing from 300 to 800 K. Differential conduction maps with 10 4 scanning tunneling spectra are used to quantify the transition in the density of states and the reduction of the band gap during annealing with nanometer spatial resolution. The electronic transition is spatially homogeneous, and the surface band gap can therefore be adjusted by a targeted annealing step. The modified molecules, which we call nanospheres, are quite resistant to ripening and coalescence, unlike any other metallic nanoparticle of the same size. Densely packed C 60 and isolated C 60 molecules show the same transition in electronic structure, which confirms that the transformation is controlled by the reaction at the C 60 -W interface. Density functional theory calculations are used to develop possible reaction pathways in agreement with experimentally observed electronic structure modulation. Control of the band gap by the choice of annealing temperature is a unique route to tailoring molecular-layer electronic properties.

Design of biomimetic catalysts by molecular imprinting in synthetic polymers: the role of transition state stabilization.

PubMed

Wulff, Günter; Liu, Junqiu

2012-02-21

The impressive efficiency and selectivity of biological catalysts has engendered a long-standing effort to understand the details of enzyme action. It is widely accepted that enzymes accelerate reactions through their steric and electronic complementarity to the reactants in the rate-determining transition states. Thus, tight binding to the transition state of a reactant (rather than to the corresponding substrate) lowers the activation energy of the reaction, providing strong catalytic activity. Debates concerning the fundamentals of enzyme catalysis continue, however, and non-natural enzyme mimics offer important additional insight in this area. Molecular structures that mimic enzymes through the design of a predetermined binding site that stabilizes the transition state of a desired reaction are invaluable in this regard. Catalytic antibodies, which can be quite active when raised against stable transition state analogues of the corresponding reaction, represent particularly successful examples. Recently, synthetic chemistry has begun to match nature's ability to produce antibody-like binding sites with high affinities for the transition state. Thus, synthetic, molecularly imprinted polymers have been engineered to provide enzyme-like specificity and activity, and they now represent a powerful tool for creating highly efficient catalysts. In this Account, we review recent efforts to develop enzyme models through the concept of transition state stabilization. In particular, models for carboxypeptidase A were prepared through the molecular imprinting of synthetic polymers. On the basis of successful experiments with phosphonic esters as templates to arrange amidinium groups in the active site, the method was further improved by combining the concept of transition state stabilization with the introduction of special catalytic moieties, such as metal ions in a defined orientation in the active site. In this way, the imprinted polymers were able to provide both an electrostatic stabilization for the transition state through the amidinium group as well as a synergism of transition state recognition and metal ion catalysis. The result was an excellent catalyst for carbonate hydrolysis. These enzyme mimics represent the most active catalysts ever prepared through the molecular imprinting strategy. Their catalytic activity, catalytic efficiency, and catalytic proficiency clearly surpass those of the corresponding catalytic antibodies. The active structures in natural enzymes evolve within soluble proteins, typically by the refining of the folding of one polypeptide chain. To incorporate these characteristics into synthetic polymers, we used the concept of transition state stabilization to develop soluble, nanosized carboxypeptidase A models using a new polymerization method we term the "post-dilution polymerization method". With this methodology, we were able to prepare soluble, highly cross-linked, single-molecule nanoparticles. These particles have controlled molecular weights (39 kDa, for example) and, on average, one catalytically active site per particle. Our strategies have made it possible to obtain efficient new enzyme models and further advance the structural and functional analogy with natural enzymes. Moreover, this bioinspired design based on molecular imprinting in synthetic polymers offers further support for the concept of transition state stabilization in catalysis.

Metabolite profiling and associated gene expression reveal two metabolic shifts during the seed-to-seedling transition in Arabidopsis thaliana.

PubMed

Silva, Anderson Tadeu; Ligterink, Wilco; Hilhorst, Henk W M

2017-11-01

Metabolic and transcriptomic correlation analysis identified two distinctive profiles involved in the metabolic preparation for seed germination and seedling establishment, respectively. Transcripts were identified that may control metabolic fluxes. The transition from a quiescent metabolic state (dry seed) to the active state of a vigorous seedling is crucial in the plant's life cycle. We analysed this complex physiological trait by measuring the changes in primary metabolism that occur during the transition in order to determine which metabolic networks are operational. The transition involves several developmental stages from seed germination to seedling establishment, i.e. between imbibition of the mature dry seed and opening of the cotyledons, the final stage of seedling establishment. We hypothesized that the advancement of growth is associated with certain signature metabolite profiles. Metabolite-metabolite correlation analysis underlined two specific profiles which appear to be involved in the metabolic preparation for seed germination and efficient seedling establishment, respectively. Metabolite profiles were also compared to transcript profiles and although transcriptional changes did not always equate to a proportional metabolic response, in depth correlation analysis identified several transcripts that may directly influence the flux through metabolic pathways during the seed-to-seedling transition. This correlation analysis also pinpointed metabolic pathways which are significant for the seed-to-seedling transition, and metabolite contents that appeared to be controlled directly by transcript abundance. This global view of the transcriptional and metabolic changes during the seed-to-seedling transition in Arabidopsis opens up new perspectives for understanding the complex regulatory mechanism underlying this transition.

Energy spectra and E2 transition rates of 124—130Ba

NASA Astrophysics Data System (ADS)

Sabri, H.; Seidi, M.

2016-10-01

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

An Overview of Radiation-Induced Interface Traps in MOS (Metal-Oxide Semiconductor) Structures

DTIC Science & Technology

1989-11-01

to be Controlled by hole transport to the Si/S1 02 interface and by neutral hydrogen diffusion, respectively. ’We also discuss several models which...trivalent Si which is undergo a dispersive hopping transport which not mobile and a mobile nonbridging oxygen. controls the rate of interface state... control the buildup of ping event itself seems to be a phonon-assisted radiation-induced interface states are subjects tunneling transition between

Transition States and transition state analogue interactions with enzymes.

PubMed

Schramm, Vern L

2015-04-21

Enzymatic transition states have lifetimes of a few femtoseconds (fs). Computational analysis of enzyme motions leading to transition state formation suggests that local catalytic site motions on the fs time scale provide the mechanism to locate transition states. An experimental test of protein fs motion and its relation to transition state formation can be provided by isotopically heavy proteins. Heavy enzymes have predictable mass-altered bond vibration states without altered electrostatic properties, according to the Born-Oppenheimer approximation. On-enzyme chemistry is slowed in most heavy proteins, consistent with altered protein bond frequencies slowing the search for the transition state. In other heavy enzymes, structural changes involved in reactant binding and release are also influenced. Slow protein motions associated with substrate binding and catalytic site preorganization are essential to allow the subsequent fs motions to locate the transition state and to facilitate the efficient release of products. In the catalytically competent geometry, local groups move in stochastic atomic motion on the fs time scale, within transition state-accessible conformations created by slower protein motions. The fs time scale for the transition state motions does not permit thermodynamic equilibrium between the transition state and stable enzyme states. Isotopically heavy enzymes provide a diagnostic tool for fast coupled protein motions to transition state formation and mass-dependent conformational changes. The binding of transition state analogue inhibitors is the opposite in catalytic time scale to formation of the transition state but is related by similar geometries of the enzyme-transition state and enzyme-inhibitor interactions. While enzymatic transition states have lifetimes as short as 10(-15) s, transition state analogues can bind tightly to enzymes with release rates greater than 10(3) s. Tight-binding transition state analogues stabilize the rare but evolved enzymatic geometry to form the transition state. Evolution to efficient catalysis optimized this geometry and its stabilization by a transition state mimic results in tight binding. Release rates of transition state analogues are orders of magnitude slower than product release in normal catalytic function. During catalysis, product release is facilitated by altered chemistry. Compared to the weak associations found in Michaelis complexes, transition state analogues involve strong interactions related to those in the transition state. Optimum binding of transition state analogues occurs when the complex retains the system motions intrinsic to transition state formation. Conserved dynamic motion retains the entropic components of inhibitor complexes, improving the thermodynamics of analogue binding.

Coordination control of flexible manufacturing systems

NASA Astrophysics Data System (ADS)

Menon, Satheesh R.

One of the first attempts was made to develop a model driven system for coordination control of Flexible Manufacturing Systems (FMS). The structure and activities of the FMS are modeled using a colored Petri Net based system. This approach has the advantage of being able to model the concurrency inherent in the system. It provides a method for encoding the system state, state transitions and the feasible transitions at any given state. Further structural analysis (for detecting conflicting actions, deadlocks which might occur during operation, etc.) can be performed. The problem is also addressed of implementing and testing the behavior of existing dynamic scheduling approaches in simulations of realistic situations. A simulation architecture was proposed and performance evaluation was carried out for establishing the correctness of the model, stability of the system from a structural (deadlocks) and temporal (boundedness of backlogs) points of view, and for collection of statistics for performance measures such as machine and robot utilizations, average wait times and idle times of resources. A real-time implementation architecture for the coordination controller was also developed and implemented in a software simulated environment. Given the current technology of FMS control, the model-driven colored Petri net-based approach promises to develop a very flexible control environment.

Entanglement of two superconducting qubits in a waveguide cavity via monochromatic two-photon excitation.

PubMed

Poletto, S; Gambetta, Jay M; Merkel, Seth T; Smolin, John A; Chow, Jerry M; Córcoles, A D; Keefe, George A; Rothwell, Mary B; Rozen, J R; Abraham, D W; Rigetti, Chad; Steffen, M

2012-12-14

We report a system where fixed interactions between noncomputational levels make bright the otherwise forbidden two-photon |00}→|11} transition. The system is formed by hand selection and assembly of two discrete component transmon-style superconducting qubits inside a rectangular microwave cavity. The application of a monochromatic drive tuned to this transition induces two-photon Rabi-like oscillations between the ground and doubly excited states via the Bell basis. The system therefore allows all-microwave two-qubit universal control with the same techniques and hardware required for single qubit control. We report Ramsey-like and spin echo sequences with the generated Bell states, and measure a two-qubit gate fidelity of F(g)=90% (unconstrained) and 86% (maximum likelihood estimator).

Charge state manipulation of qubits in diamond

PubMed Central

Grotz, Bernhard; Hauf, Moritz V.; Dankerl, Markus; Naydenov, Boris; Pezzagna, Sébastien; Meijer, Jan; Jelezko, Fedor; Wrachtrup, Jörg; Stutzmann, Martin; Reinhard, Friedemann; Garrido, Jose A.

2012-01-01

The nitrogen-vacancy (NV) centre in diamond is a promising candidate for a solid-state qubit. However, its charge state is known to be unstable, discharging from the qubit state NV− into the neutral state NV0 under various circumstances. Here we demonstrate that the charge state can be controlled by an electrolytic gate electrode. This way, single centres can be switched from an unknown non-fluorescent state into the neutral charge state NV0, and the population of an ensemble of centres can be shifted from NV0 to NV−. Numerical simulations confirm the manipulation of the charge state to be induced by the gate-controlled shift of the Fermi level at the diamond surface. This result opens the way to a dynamic control of transitions between charge states and to explore hitherto inaccessible states, such as NV+. PMID:22395620

Synergistic Effect of Auto-Activation and Small RNA Regulation on Gene Expression

NASA Astrophysics Data System (ADS)

Xiong, Li-Ping; Ma, Yu-Qiang; Tang, Lei-Han

2010-09-01

Auto-activation and small ribonucleic acid (RNA)-mediated regulation are two important mechanisms in controlling gene expression. We study the synergistic effect of these two regulations on gene expression. It is found that under this combinatorial regulation, gene expression exhibits bistable behaviors at the transition regime, while each of these two regulations, if working solely, only leads to monostability. Within the stochastic framework, the base pairing strength between sRNA and mRNA plays an important role in controlling the transition time between on and off states. The noise strength of protein number in the off state approaches 1 and is smaller than that in the on state. The noise strength also depends on which parameters, the feedback strength or the synthesis rate of small RNA, are tuned in switching the gene expression on and off. Our findings may provide a new insight into gene-regulation mechanism and can be applied in synthetic biology.

Coherent manipulation of a solid-state artificial atom with few photons.

PubMed

Giesz, V; Somaschi, N; Hornecker, G; Grange, T; Reznychenko, B; De Santis, L; Demory, J; Gomez, C; Sagnes, I; Lemaître, A; Krebs, O; Lanzillotti-Kimura, N D; Lanco, L; Auffeves, A; Senellart, P

2016-06-17

In a quantum network based on atoms and photons, a single atom should control the photon state and, reciprocally, a single photon should allow the coherent manipulation of the atom. Both operations require controlling the atom environment and developing efficient atom-photon interfaces, for instance by coupling the natural or artificial atom to cavities. So far, much attention has been drown on manipulating the light field with atomic transitions, recently at the few-photon limit. Here we report on the reciprocal operation and demonstrate the coherent manipulation of an artificial atom by few photons. We study a quantum dot-cavity system with a record cooperativity of 13. Incident photons interact with the atom with probability 0.95, which radiates back in the cavity mode with probability 0.96. Inversion of the atomic transition is achieved for 3.8 photons on average, showing that our artificial atom performs as if fully isolated from the solid-state environment.

Population projections for AIDS using an actuarial model.

PubMed

Wilkie, A D

1989-09-05

This paper gives details of a model for forecasting AIDS, developed for actuarial purposes, but used also for population projections. The model is only appropriate for homosexual transmission, but it is age-specific, and it allows variation in the transition intensities by age, duration in certain states and calendar year. The differential equations controlling transitions between states are defined, the method of numerical solution is outlined, and the parameters used in five different Bases of projection are given in detail. Numerical results for the population of England and Wales are shown.

Prescribed burning to affect a state transition in a shrub-encroached desert grassland

USDA-ARS?s Scientific Manuscript database

Prescribed burning is a commonly advocated and historical practice for control of woody species encroachment into grasslands on all continents. However, desert grasslands of the southwestern United States often lack needed herbaceous fuel loads for effective prescriptions, dominant perennial gramin...

Reveal, A General Reverse Engineering Algorithm for Inference of Genetic Network Architectures

NASA Technical Reports Server (NTRS)

Liang, Shoudan; Fuhrman, Stefanie; Somogyi, Roland

1998-01-01

Given the immanent gene expression mapping covering whole genomes during development, health and disease, we seek computational methods to maximize functional inference from such large data sets. Is it possible, in principle, to completely infer a complex regulatory network architecture from input/output patterns of its variables? We investigated this possibility using binary models of genetic networks. Trajectories, or state transition tables of Boolean nets, resemble time series of gene expression. By systematically analyzing the mutual information between input states and output states, one is able to infer the sets of input elements controlling each element or gene in the network. This process is unequivocal and exact for complete state transition tables. We implemented this REVerse Engineering ALgorithm (REVEAL) in a C program, and found the problem to be tractable within the conditions tested so far. For n = 50 (elements) and k = 3 (inputs per element), the analysis of incomplete state transition tables (100 state transition pairs out of a possible 10(exp 15)) reliably produced the original rule and wiring sets. While this study is limited to synchronous Boolean networks, the algorithm is generalizable to include multi-state models, essentially allowing direct application to realistic biological data sets. The ability to adequately solve the inverse problem may enable in-depth analysis of complex dynamic systems in biology and other fields.

Characterization of pulsed laser deposition grown V2O3 converted VO2

NASA Astrophysics Data System (ADS)

Majid, Suhail; Shukla, D. K.; Rahman, F.; Gautam, Kamini; Sathe, V. G.; Choudhary, R. J.; Phase, D. M.

2016-10-01

Controllable tuning of Metal-insulator transition in VxOy thin film has been a field of extensive research. However controlled synthesis of desired Vanadium oxide phase is a challenging task. We have successfully achieved VO2 phase on Silicon substrate after post deposition annealing treatment to the PLD grown as deposited V2O3 thin films. The annealed thin film was characterized by x-ray diffraction (XRD), resistivity, Raman spectroscopy, X-ray absorption spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS) measurements. XRD confirms the crystalline nature and growth of VO2 phase in thin film. The characteristic MIT was observed from resistivity measurements and transition temperature appeared at lower value around 336 K, compared to bulk VO2. The structural transition accompanied with MIT from lower temperature monoclinic phase to higher temperature Rutile phase became evident from temperature dependent Raman measurements. Chemical state of vanadium was examined using XAS and XPS measurements which confirm the presence of +4 oxidation state of vanadium in thin film.

Triggered Snap-Through of Bistable Shells

NASA Astrophysics Data System (ADS)

Cai, Yijie; Huang, Shicheng; Trase, Ian; Hu, Nan; Chen, Zi

Elastic bistable shells are common structures in nature and engineering, such as the lobes of the Venus flytrap or the surface of a toy jumping poppers. Despite their ubiquity, the parameters that control the bistability of such structures are not well understood. In this study, we explore how the geometrical features of radially symmetric elastic shells affect the shape and potential energy of a shell's stable states, and how to tune certain parameters in order to generate a snap-through transition from a convex semi-stable state to concave stable state. We fabricated a series of elastic shells with varying geometric parameters out of silicone rubber and measured the resulting potential energy in the semi-stable state. Finite element simulations were also conducted in order to determine the deformation and stress in the shells during snap-through. It was found that the energy of the semi-stable state is controlled by only two geometric parameters and a dimensionless ratio. We also noted two distinct transitions during snap-through, one between monostability and semi-bistability (the state a popper toy is in before it snaps-through and jumps), and a second transition between semi-bistability and true bistability. This work shows that it is possible to use a set of simple parameters to tailor the energy landscape of an elastic shell in order to generate complex trigger motions for their potential use in smart applications. Z.C. acknowledge support from Society in Science-Branco Weiss Fellowship, administered by ETH Zurich.

Manganese Deficiency Leads to Genotype-Specific Changes in Fluorescence Induction Kinetics and State Transitions1[C][OA

PubMed Central

Husted, Søren; Laursen, Kristian H.; Hebbern, Christopher A.; Schmidt, Sidsel B.; Pedas, Pai; Haldrup, Anna; Jensen, Poul E.

2009-01-01

Barley (Hordeum vulgare) genotypes display a marked difference in their ability to tolerate growth at low manganese (Mn) concentrations, a phenomenon designated as differential Mn efficiency. Induction of Mn deficiency in two genotypes differing in Mn efficiency led to a decline in the quantum yield efficiency for both, although faster in the Mn-inefficient genotype. Leaf tissue and thylakoid Mn concentrations were reduced under Mn deficiency, but no difference between genotypes was observed and no visual Mn deficiency symptoms were developed. Analysis of the fluorescence induction kinetics revealed that in addition to the usual O-J-I-P steps, clear K and D steps were developed in the Mn-inefficient genotype under Mn deficiency. These marked changes indicated damages to photosystem II (PSII). This was further substantiated by state transition measurements, indicating that the ability of plants to redistribute excitation energy was reduced. The percentage change in state transitions for control plants with normal Mn supply of both genotypes was 9% to 11%. However, in Mn-deficient leaves of the Mn-inefficient genotypes, state transitions were reduced to less than 1%, whereas no change was observed for the Mn-efficient genotypes. Immunoblotting and the chlorophyll a/b ratio confirmed that Mn deficiency in general resulted in a significant reduction in abundance of PSII reaction centers relative to the peripheral antenna. In addition, PSII appeared to be significantly more affected by Mn limitation than PSI. However, the striking genotypic differences observed in Mn-deficient plants, when analyzing state transitions and fluorescence induction kinetics, could not be correlated with specific changes in photosystem proteins. Thus, there is no simple linkage between protein expression and the differential reduction in state transition and fluorescence induction kinetics observed for the genotypes under Mn deficiency. PMID:19369593

A Semi-analytical Model for Wind-fed Black Hole High-mass X-Ray Binaries: State Transition Triggered by Magnetic Fields from the Companion Star

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

Yaji, Kentaro; Yamada, Shinya; Masai, Kuniaki

We propose a mechanism of state transition in wind-fed black hole (BH) binaries (high-mass X-ray binaries) such as Cyg X-1 and LMC X-1. Modeling a line-driven stellar wind from the companion by two-dimensional hydrodynamical calculations, we investigate the processes of wind capture by, and accretion onto, the BH. We assume that the wind acceleration is terminated at the He ii ionization front because ions responsible for line-driven acceleration are ionized within the front, i.e., the He iii region. It is found that the mass accretion rate inferred from the luminosity is remarkably smaller than the capture rate. Considering the difference,more » we construct a model for the state transition based on the accretion flow being controlled by magnetorotational instability. The outer flow is torus-like, and plays an important role to trigger the transition. The model can explain why state transition does occur in Cyg X-1, while not in LMC X-1. Cyg X-1 exhibits a relatively low luminosity, and then the He ii ionization front is located and can move between the companion and BH, depending on its ionizing photon flux. On the other hand, LMC X-1 exhibits too high luminosity for the front to move considerably; the front is too close to the companion atmosphere. The model also predicts that each state of high-soft or low-hard would last fairly long because the luminosity depends weakly on the wind velocity. In the context of the model, the state transition is triggered by a fluctuation of the magnetic field when its amplitude becomes comparable to the field strength in the torus-like outer flow.« less

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

Nishitani, Junichi, E-mail: jnishitani@issp.u-tokyo.ac.jp; Lippmaa, Mikk; Suemoto, Tohru

The dynamics of photoexcited electrons in various excited d-states was investigated in a transition metal oxide MnO by tunable optical pump-terahertz probe measurements. Photoexcited electrons in the lowest excited d-state showed the longest relaxation time among the three excited d-states that are accessible in MnO at room temperature. The relaxation rate in the lowest excited d-state showed a drastic increase below the Neel temperature T{sub N} = 120 K in MnO. We conclude that this increase is caused by the appearance of a decay channel related to magnetic-excitation-assisted photoluminescence from self-trapped exciton (STE) states. The opening of relaxation channels to the STE statesmore » in an antiferromagnetic phase suggests that it may be possible to control photocarrier lifetime by magnetic order in transition metal oxides.« less

Heterogeneous nucleation and growth dynamics in the light-induced phase transition in vanadium dioxide

DOE PAGES

Brady, Nathaniel F.; Appavoo, Kannatassen; Seo, Minah; ...

2016-03-02

Here we report on ultrafast optical investigations of the light-induced insulator-to-metal phase transition in vanadium dioxide with controlled disorder generated by substrate mismatch. These results reveal common dynamics of this optically-induced phase transition that are independent of this disorder. Lastly, above the fluence threshold for completing the transition to the rutile crystalline phase, we find a common time scale, independent of sample morphology, of 40.5 ± 2 ps that is consistent with nucleation and growth dynamics of the R phase from the parent M1 ground state.

Non-monotonicity and divergent time scale in Axelrod model dynamics

NASA Astrophysics Data System (ADS)

Vazquez, F.; Redner, S.

2007-04-01

We study the evolution of the Axelrod model for cultural diversity, a prototypical non-equilibrium process that exhibits rich dynamics and a dynamic phase transition between diversity and an inactive state. We consider a simple version of the model in which each individual possesses two features that can assume q possibilities. Within a mean-field description in which each individual has just a few interaction partners, we find a phase transition at a critical value qc between an active, diverse state for q < qc and a frozen state. For q lesssim qc, the density of active links is non-monotonic in time and the asymptotic approach to the steady state is controlled by a time scale that diverges as (q-qc)-1/2.

Dynamical phase transitions in generalized Kuramoto model with distributed Sakaguchi phase

NASA Astrophysics Data System (ADS)

Banerjee, Amitava

2017-11-01

In this numerical work, we have systematically studied the dynamical phase transitions in the Kuramoto-Sakaguchi model of synchronizing phase oscillators controlled by disorder in the Sakaguchi phases. We derive the numerical steady state phase diagrams for quenched and annealed kinds of disorder in the Sakaguchi parameters, using the conventional order parameter and other such statistical quantities as strength of incoherence and discontinuity measures. We have also considered the correlation profile of the local order parameter fluctuations in the various phases identified. The phase diagrams for quenched disorder are qualitatively much different from those in the global coupling regime. The order of various transitions is confirmed by a study of the distribution of the order parameter and its fourth order Binder’s cumulant across the transition for an ensemble of initial distribution of phases. For the annealed type of disorder, in contrast to the case with quenched disorder, the system is almost insensitive to the amount of disorder. We also elucidate the role of chimeralike states in the synchronizing transition of the system, and study the effect of disorder on these states. Finally, we seek justification of our results from simulations guided by the Ott-Antonsen ansatz.

Tuning stochastic transition rates in a bistable genetic network.

NASA Astrophysics Data System (ADS)

Chickarmane, Vijay; Peterson, Carsten

2009-03-01

We investigate the stochastic dynamics of a simple genetic network, a toggle switch, in which the system makes transitions between the two alternative states. Our interest is in exploring whether such stochastic transitions, which occur due to the intrinsic noise such as transcriptional and degradation events, can be slowed down/speeded up, without changing the mean expression levels of the two genes, which comprise the toggle network. Such tuning is achieved by linking a signaling network to the toggle switch. The signaling network comprises of a protein, which can exist either in an active (phosphorylated) or inactive (dephosphorylated) form, and where its state is determined by one of the genetic network components. The active form of the protein in turn feeds back on the dynamics of the genetic network. We find that the rate of stochastic transitions from one state to the other, is determined essentially by the speed of phosphorylation, and hence the rate can be modulated by varying the phosphatase levels. We hypothesize that such a network architecture can be implemented as a general mechanism for controlling transition rates and discuss applications in population studies of two differentiated cell lineages, ex: the myeloid/erythroid lineage in hematopoiesis.

Tunable ion-photon entanglement in an optical cavity.

PubMed

Stute, A; Casabone, B; Schindler, P; Monz, T; Schmidt, P O; Brandstätter, B; Northup, T E; Blatt, R

2012-05-23

Proposed quantum networks require both a quantum interface between light and matter and the coherent control of quantum states. A quantum interface can be realized by entangling the state of a single photon with the state of an atomic or solid-state quantum memory, as demonstrated in recent experiments with trapped ions, neutral atoms, atomic ensembles and nitrogen-vacancy spins. The entangling interaction couples an initial quantum memory state to two possible light-matter states, and the atomic level structure of the memory determines the available coupling paths. In previous work, the transition parameters of these paths determined the phase and amplitude of the final entangled state, unless the memory was initially prepared in a superposition state (a step that requires coherent control). Here we report fully tunable entanglement between a single (40)Ca(+) ion and the polarization state of a single photon within an optical resonator. Our method, based on a bichromatic, cavity-mediated Raman transition, allows us to select two coupling paths and adjust their relative phase and amplitude. The cavity setting enables intrinsically deterministic, high-fidelity generation of any two-qubit entangled state. This approach is applicable to a broad range of candidate systems and thus is a promising method for distributing information within quantum networks.

Revealing the hidden structural phases of FeRh

NASA Astrophysics Data System (ADS)

Kim, Jinwoong; Ramesh, R.; Kioussis, Nicholas

2016-11-01

Ab initio electronic structure calculations reveal that tetragonal distortion has a dramatic effect on the relative stability of the various magnetic structures (C-, A-, G-, A'-AFM, and FM) of FeRh giving rise to a wide range of novel stable/metastable structures and magnetic phase transitions between these states. We predict that the cubic G-AFM structure, which was believed thus far to be the ground state, is metastable and that the tetragonally expanded G-AFM is the stable structure. The low energy barrier separating these states suggests phase coexistence at room temperature. We propose an A'-AFM phase to be the global ground state among all magnetic phases which arises from the strain-induced tuning of the exchange interactions. The results elucidate the underlying mechanism for the recent experimental findings of electric-field control of magnetic phase transition driven via tetragonal strain. The magnetic phase transitions open interesting prospects for exploiting strain engineering for the next-generation memory devices.

Two-Photon Transitions in Hydrogen-Like Atoms

NASA Astrophysics Data System (ADS)

Martinis, Mladen; Stojić, Marko

Different methods for evaluating two-photon transition amplitudes in hydrogen-like atoms are compared with the improved method of direct summation. Three separate contributions to the two-photon transition probabilities in hydrogen-like atoms are calculated. The first one coming from the summation over discrete intermediate states is performed up to nc(max) = 35. The second contribution from the integration over the continuum states is performed numerically. The third contribution coming from the summation from nc(max) to infinity is calculated in an approximate way using the mean level energy for this region. It is found that the choice of nc(max) controls the numerical error in the calculations and can be used to increase the accuracy of the results much more efficiently than in other methods.

Superconductivity and bandwidth-controlled Mott metal-insulator transition in 1T-TaS2-xSex

NASA Astrophysics Data System (ADS)

Ang, R.; Miyata, Y.; Ieki, E.; Nakayama, K.; Sato, T.; Liu, Y.; Lu, W. J.; Sun, Y. P.; Takahashi, T.

2013-09-01

We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) of layered chalcogenide 1T-TaS2-xSex to elucidate the electronic states especially relevant to the occurrence of superconductivity. We found a direct evidence for a Ta-5d-derived electron pocket associated with the superconductivity, which is fragile against a Mott-gap opening observed in the insulating ground state for S-rich samples. In particular, a strong electron-electron interaction-induced Mott gap driven by a Ta 5d orbital also exists in the metallic ground state for Se-rich samples, while finite ARPES intensity near the Fermi level likely originating from a Se 4p orbital survives, indicative of the orbital-selective nature of the Mott transition. Present results suggest that effective electron correlation and p-d hybridization play a crucial role to tune the superconductivity and Mott metal-insulator transition.

Cyclic electron flow is redox-controlled but independent of state transition.

PubMed

Takahashi, Hiroko; Clowez, Sophie; Wollman, Francis-André; Vallon, Olivier; Rappaport, Fabrice

2013-01-01

Photosynthesis is the biological process that feeds the biosphere with reduced carbon. The assimilation of CO2 requires the fine tuning of two co-existing functional modes: linear electron flow, which provides NADPH and ATP, and cyclic electron flow, which only sustains ATP synthesis. Although the importance of this fine tuning is appreciated, its mechanism remains equivocal. Here we show that cyclic electron flow as well as formation of supercomplexes, thought to contribute to the enhancement of cyclic electron flow, are promoted in reducing conditions with no correlation with the reorganization of the thylakoid membranes associated with the migration of antenna proteins towards Photosystems I or II, a process known as state transition. We show that cyclic electron flow is tuned by the redox power and this provides a mechanistic model applying to the entire green lineage including the vast majority of the cases in which state transition only involves a moderate fraction of the antenna.

Hund’s rule in superatoms with transition metal impurities

PubMed Central

Medel, Victor M.; Reveles, Jose Ulises; Khanna, Shiv N.; Chauhan, Vikas; Sen, Prasenjit; Castleman, A. Welford

2011-01-01

The quantum states in metal clusters bunch into supershells with associated orbitals having shapes resembling those in atoms, giving rise to the concept that selected clusters could mimic the characteristics of atoms and be classified as superatoms. Unlike atoms, the superatom orbitals span over multiple atoms and the filling of orbitals does not usually exhibit Hund’s rule seen in atoms. Here, we demonstrate the possibility of enhancing exchange splitting in superatom shells via a composite cluster of a central transition metal and surrounding nearly free electron metal atoms. The transition metal d states hybridize with superatom D states and result in enhanced splitting between the majority and minority sets where the moment and the splitting can be controlled by the nature of the central atom. We demonstrate these findings through studies on TMMgn clusters where TM is a 3d atom. The clusters exhibit Hund’s filling, opening the pathway to superatoms with magnetic shells. PMID:21646542

Hund's rule in superatoms with transition metal impurities.

PubMed

Medel, Victor M; Reveles, Jose Ulises; Khanna, Shiv N; Chauhan, Vikas; Sen, Prasenjit; Castleman, A Welford

2011-06-21

The quantum states in metal clusters bunch into supershells with associated orbitals having shapes resembling those in atoms, giving rise to the concept that selected clusters could mimic the characteristics of atoms and be classified as superatoms. Unlike atoms, the superatom orbitals span over multiple atoms and the filling of orbitals does not usually exhibit Hund's rule seen in atoms. Here, we demonstrate the possibility of enhancing exchange splitting in superatom shells via a composite cluster of a central transition metal and surrounding nearly free electron metal atoms. The transition metal d states hybridize with superatom D states and result in enhanced splitting between the majority and minority sets where the moment and the splitting can be controlled by the nature of the central atom. We demonstrate these findings through studies on TMMg(n) clusters where TM is a 3d atom. The clusters exhibit Hund's filling, opening the pathway to superatoms with magnetic shells.

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

PubMed

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

2018-02-05

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

Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach

PubMed Central

Chen, Ting; Zheng, Lei; Yuan, Jie; An, Zhongfu; Chen, Runfeng; Tao, Ye; Li, Huanhuan; Xie, Xiaoji; Huang, Wei

2015-01-01

Developing organic optoelectronic materials with desired photophysical properties has always been at the forefront of organic electronics. The variation of singlet-triplet splitting (ΔEST) can provide useful means in modulating organic excitons for diversified photophysical phenomena, but controlling ΔEST in a desired manner within a large tuning scope remains a daunting challenge. Here, we demonstrate a convenient and quantitative approach to relate ΔEST to the frontier orbital overlap and separation distance via a set of newly developed parameters using natural transition orbital analysis to consider whole pictures of electron transitions for both the lowest singlet (S1) and triplet (T1) excited states. These critical parameters revealed that both separated S1 and T1 states leads to ultralow ΔEST; separated S1 and overlapped T1 states results in small ΔEST; and both overlapped S1 and T1 states induces large ΔEST. Importantly, we realized a widely-tuned ΔEST in a range from ultralow (0.0003 eV) to extra-large (1.47 eV) via a subtle symmetric control of triazine molecules, based on time-dependent density functional theory calculations combined with experimental explorations. These findings provide keen insights into ΔEST control for feasible excited state tuning, offering valuable guidelines for the construction of molecules with desired optoelectronic properties. PMID:26161684

Apparatus for controlling system state based on unique identifiers

DOEpatents

Drotning, William D.

2002-01-01

An apparatus allows workers to assert and release control over the energization of a system. The apparatus does not require the workers to carry any additional paraphernalia, and is not be easily defeated by other workers. Users asserting and releasing control present tokens uniquely identifying each user to a reader, and the apparatus prevents transition of the system to an undesired state until an appropriate number of users are currently asserting control. For example, a dangerous manufacturing robot can be prevented from energizing until all the users that have asserted control when entering the robot's controlled space have subsequently released control when leaving the robot's controlled space.

Origin of Transitions between Metallic and Insulating States in Simple Metals

DOE PAGES

Naumov, Ivan I.; Hemley, Russell J.

2015-04-17

Unifying principles that underlie recently discovered transitions between metallic and insulating states in elemental solids under pressure are developed. Using group theory arguments and first principles calculations, we show that the electronic properties of the phases involved in these transitions are controlled by symmetry principles not previously recognized. The valence bands in these systems are described by simple and composite band representations constructed from localized Wannier functions centered on points unoccupied by atoms, and which are not necessarily all symmetrical. The character of the Wannier functions is closely related to the degree of s-p(-d) hybridization and reflects multi-center chemical bondingmore » in these insulating states. The conditions under which an insulating state is allowed for structures having an integer number of atoms per primitive unit cell as well as re-entrant (i.e., metal-insulator-metal) transition sequences are detailed, resulting in predictions of novel behavior such as phases having three-dimensional Dirac-like points. The general principles developed are tested and applied to the alkali and alkaline earth metals, including elements where high-pressure insulating phases have been identified or reported (e.g., Li, Na, and Ca).« less

Cybersecurity Technology R&D | Energy Systems Integration Facility | NREL

Science.gov Websites

and development (R&D) in cybersecurity is focused on distributed energy resources and the control equipment. The team is focusing on integrity for command and control messages in transit to and from systems and control architectures. Moving Target Defense In collaboration with Kansas State University

Applying state diagrams to food processing and development

NASA Technical Reports Server (NTRS)

Roos, Y.; Karel, M.

1991-01-01

The physical state of food components affects their properties during processing, storage, and consumption. Removal of water by evaporation or by freezing often results in formation of an amorphous state (Parks et al., 1928; Troy and Sharp, 1930; Kauzmann, 1948; Bushill et al., 1965; White and Cakebread, 1966; Slade and Levine, 1991). Amorphous foods are also produced from carbohydrate melts by rapid cooling after extrusion or in the manufacturing of hard sugar candies and coatings (Herrington and Branfield, 1984). Formation of the amorphous state and its relation to equilibrium conditions are shown in Fig. 1 [see text]. The most important change, characteristic of the amorphous state, is noticed at the glass transition temperature (Tg), which involves transition from a solid "glassy" to a liquid-like "rubbery" state. The main consequence of glass transition is an increase of molecular mobility and free volume above Tg, which may result in physical and physico-chemical deteriorative changes (White and Cakebread, 1966; Slade and Levine, 1991). We have conducted studies on phase transitions of amorphous food materials and related Tg to composition, viscosity, stickiness, collapse, recrystallization, and ice formation. We have also proposed that some diffusion-limited deteriorative reactions are controlled by the physical state in the vicinity of Tg (Roos and Karel, 1990, 1991a, b, c). The results are summarized in this article, with state diagrams based on experimental and calculated data to characterize the relevant water content, temperature, and time-dependent phenomena of amorphous food components.

Bifurcation and Stability Analysis of the Equilibrium States in Thermodynamic Systems in a Small Vicinity of the Equilibrium Values of Parameters

NASA Astrophysics Data System (ADS)

Barsuk, Alexandr A.; Paladi, Florentin

2018-04-01

The dynamic behavior of thermodynamic system, described by one order parameter and one control parameter, in a small neighborhood of ordinary and bifurcation equilibrium values of the system parameters is studied. Using the general methods of investigating the branching (bifurcations) of solutions for nonlinear equations, we performed an exhaustive analysis of the order parameter dependences on the control parameter in a small vicinity of the equilibrium values of parameters, including the stability analysis of the equilibrium states, and the asymptotic behavior of the order parameter dependences on the control parameter (bifurcation diagrams). The peculiarities of the transition to an unstable state of the system are discussed, and the estimates of the transition time to the unstable state in the neighborhood of ordinary and bifurcation equilibrium values of parameters are given. The influence of an external field on the dynamic behavior of thermodynamic system is analyzed, and the peculiarities of the system dynamic behavior are discussed near the ordinary and bifurcation equilibrium values of parameters in the presence of external field. The dynamic process of magnetization of a ferromagnet is discussed by using the general methods of bifurcation and stability analysis presented in the paper.

Detecting critical state before phase transition of complex systems by hidden Markov model

NASA Astrophysics Data System (ADS)

Liu, Rui; Chen, Pei; Li, Yongjun; Chen, Luonan

Identifying the critical state or pre-transition state just before the occurrence of a phase transition is a challenging task, because the state of the system may show little apparent change before this critical transition during the gradual parameter variations. Such dynamics of phase transition is generally composed of three stages, i.e., before-transition state, pre-transition state, and after-transition state, which can be considered as three different Markov processes. Thus, based on this dynamical feature, we present a novel computational method, i.e., hidden Markov model (HMM), to detect the switching point of the two Markov processes from the before-transition state (a stationary Markov process) to the pre-transition state (a time-varying Markov process), thereby identifying the pre-transition state or early-warning signals of the phase transition. To validate the effectiveness, we apply this method to detect the signals of the imminent phase transitions of complex systems based on the simulated datasets, and further identify the pre-transition states as well as their critical modules for three real datasets, i.e., the acute lung injury triggered by phosgene inhalation, MCF-7 human breast cancer caused by heregulin, and HCV-induced dysplasia and hepatocellular carcinoma.

Two nonlinear control schemes contrasted on a hydrodynamiclike model

NASA Technical Reports Server (NTRS)

Keefe, Laurence R.

1993-01-01

The principles of two flow control strategies, those of Huebler (Luescher and Huebler, 1989) and of Ott et al. (1990) are discussed, and the two schemes are compared for their ability to control shear flow, using fully developed and transitional solutions of the Ginzburg-Landau equation as models for such flows. It was found that the effectiveness of both methods in obtaining control of fully developed flows depended strongly on the 'distance' in state space between the uncontrolled flow and goal dynamics. There were conceptual difficulties in applying the Ott et al. method to transitional convectively unstable flows. On the other hand, the Huebler method worked well, within certain limitations, although at a large cost in energy terms.

Electrophoretic-like gating used to control metal-insulator transitions in electronically phase separated manganite wires.

PubMed

Guo, Hangwen; Noh, Joo H; Dong, Shuai; Rack, Philip D; Gai, Zheng; Xu, Xiaoshan; Dagotto, Elbio; Shen, Jian; Ward, T Zac

2013-08-14

Electronically phase separated manganite wires are found to exhibit controllable metal-insulator transitions under local electric fields. The switching characteristics are shown to be fully reversible, polarity independent, and highly resistant to thermal breakdown caused by repeated cycling. It is further demonstrated that multiple discrete resistive states can be accessed in a single wire. The results conform to a phenomenological model in which the inherent nanoscale insulating and metallic domains are rearranged through electrophoretic-like processes to open and close percolation channels.

Significance of the zero sum principle for circadian, homeostatic and allostatic regulation of sleep-wake state in the rat.

PubMed

Stephenson, Richard; Caron, Aimee M; Famina, Svetlana

2016-12-01

Sleep-wake behavior exhibits diurnal rhythmicity, rebound responses to acute total sleep deprivation (TSD), and attenuated rebounds following chronic sleep restriction (CSR). We investigated how these long-term patterns of behavior emerge from stochastic short-term dynamics of state transition. Male Sprague-Dawley rats were subjected to TSD (1day×24h, N=9), or CSR (10days×18h TSD, N=7) using a rodent walking-wheel apparatus. One baseline day and one recovery day following TSD and CSR were analyzed. The implications of the zero sum principle were evaluated using a Markov model of sleep-wake state transition. Wake bout duration (a combined function of the probability of wake maintenance and proportional representations of brief and long wake) was a key variable mediating the baseline diurnal rhythms and post-TSD responses of all three states, and the attenuation of the post-CSR rebounds. Post-NREM state transition trajectory was an important factor in REM rebounds. The zero sum constraint ensures that a change in any transition probability always affects bout frequency and cumulative time of at least two, and usually all three, of wakefulness, NREM and REM. Neural mechanisms controlling wake maintenance may play a pivotal role in regulation and dysregulation of all three states. Copyright © 2016 Elsevier Inc. All rights reserved.

Control of scroll wave turbulence in a three-dimensional reaction-diffusion system with gradient.

PubMed

Qiao, Chun; Wu, Yabi; Lu, Xiaochuan; Wang, Chunyan; Ouyang, Qi; Wang, Hongli

2008-06-01

In this paper, we summarize our recent experimental and theoretical works on observation and control of scroll wave (SW) turbulence. The experiments were conducted in a three-dimensional Belousov-Zhabotinsky reaction-diffusion system with chemical concentration gradients in one dimension. A spatially homogeneous external forcing was used in the experiments as a control; it was realized by illuminating white light on the light sensitive reaction medium. We observed that, in the oscillatory regime of the system, SW can appear automatically in the gradient system, which will be led to spatiotemporal chaos under certain conditions. A suitable periodic forcing may stabilize inherent turbulence of SW. The mechanism of the transition to SW turbulence is due to the phase twist of SW in the presence of chemical gradients, while modulating the phase twist with a proper periodic forcing can delay this transition. Using the FitzHugh-Nagumo model with an external periodic forcing, we confirmed the control mechanism with numerical simulation. Moreover, we also show in the simulation that adding temporal external noise to the system may have the same control effect. During this process, we observed a new state called "intermittent turbulence," which may undergo a transition into a new type of SW collapse when the noise intensity is further increased. The intermittent state and the collapse could be explained by a random process.

Entanglement of Two Superconducting Qubits in a Waveguide Cavity via Monochromatic Two-Photon Excitation

NASA Astrophysics Data System (ADS)

Poletto, S.; Gambetta, Jay M.; Merkel, Seth T.; Smolin, John A.; Chow, Jerry M.; Córcoles, A. D.; Keefe, George A.; Rothwell, Mary B.; Rozen, J. R.; Abraham, D. W.; Rigetti, Chad; Steffen, M.

2012-12-01

We report a system where fixed interactions between noncomputational levels make bright the otherwise forbidden two-photon |00⟩→|11⟩ transition. The system is formed by hand selection and assembly of two discrete component transmon-style superconducting qubits inside a rectangular microwave cavity. The application of a monochromatic drive tuned to this transition induces two-photon Rabi-like oscillations between the ground and doubly excited states via the Bell basis. The system therefore allows all-microwave two-qubit universal control with the same techniques and hardware required for single qubit control. We report Ramsey-like and spin echo sequences with the generated Bell states, and measure a two-qubit gate fidelity of Fg=90% (unconstrained) and 86% (maximum likelihood estimator).

Nonequilibrium Quantum Simulation in Circuit QED

NASA Astrophysics Data System (ADS)

Raftery, James John

Superconducting circuits have become a leading architecture for quantum computing and quantum simulation. In particular, the circuit QED framework leverages high coherence qubits and microwave resonators to construct systems realizing quantum optics models with exquisite precision. For example, the Jaynes-Cummings model has been the focus of significant theoretical interest as a means of generating photon-photon interactions. Lattices of such strongly correlated photons are an exciting new test bed for exploring non-equilibrium condensed matter physics such as dissipative phase transitions of light. This thesis covers a series of experiments which establish circuit QED as a powerful tool for exploring condensed matter physics with photons. The first experiment explores the use of ultra high speed arbitrary waveform generators for the direct digital synthesis of complex microwave waveforms. This new technique dramatically simplifies the classical control chain for quantum experiments and enables high bandwidth driving schemes expected to be essential for generating interesting steady-states and dynamical behavior. The last two experiments explore the rich physics of interacting photons, with an emphasis on small systems where a high degree of control is possible. The first experiment realizes a two-site system called the Jaynes-Cummings dimer, which undergoes a self-trapping transition where the strong photon-photon interactions block photon hopping between sites. The observation of this dynamical phase transition and the related dissipation-induced transition are key results of this thesis. The final experiment augments the Jaynes-Cummings dimer by redesigning the circuit to include in-situ control over photon hopping between sites using a tunable coupler. This enables the study of the dimer's localization transition in the steady-state regime.

Exploring the complexity of quantum control optimization trajectories.

PubMed

Nanduri, Arun; Shir, Ofer M; Donovan, Ashley; Ho, Tak-San; Rabitz, Herschel

2015-01-07

The control of quantum system dynamics is generally performed by seeking a suitable applied field. The physical objective as a functional of the field forms the quantum control landscape, whose topology, under certain conditions, has been shown to contain no critical point suboptimal traps, thereby enabling effective searches for fields that give the global maximum of the objective. This paper addresses the structure of the landscape as a complement to topological critical point features. Recent work showed that landscape structure is highly favorable for optimization of state-to-state transition probabilities, in that gradient-based control trajectories to the global maximum value are nearly straight paths. The landscape structure is codified in the metric R ≥ 1.0, defined as the ratio of the length of the control trajectory to the Euclidean distance between the initial and optimal controls. A value of R = 1 would indicate an exactly straight trajectory to the optimal observable value. This paper extends the state-to-state transition probability results to the quantum ensemble and unitary transformation control landscapes. Again, nearly straight trajectories predominate, and we demonstrate that R can take values approaching 1.0 with high precision. However, the interplay of optimization trajectories with critical saddle submanifolds is found to influence landscape structure. A fundamental relationship necessary for perfectly straight gradient-based control trajectories is derived, wherein the gradient on the quantum control landscape must be an eigenfunction of the Hessian. This relation is an indicator of landscape structure and may provide a means to identify physical conditions when control trajectories can achieve perfect linearity. The collective favorable landscape topology and structure provide a foundation to understand why optimal quantum control can be readily achieved.

Evolution of electronic structure as a function of layer thickness in group-VIB transition metal dichalcogenides: emergence of localization prototypes.

PubMed

Zhang, Lijun; Zunger, Alex

2015-02-11

Layered group-VIB transition metal dichalcogenides (with the formula of MX2) are known to show a transition from an indirect band gap in the thick n-monolayer stack (MX2)n to a direct band gap at the n = 1 monolayer limit, thus converting the system into an optically active material suitable for a variety of optoelectronic applications. The origin of this transition has been attributed predominantly to quantum confinement effect at reduced n. Our analysis of the evolution of band-edge energies and wave functions as a function of n using ab initio density functional calculations including the long-range dispersion interaction reveals (i) the indirect-to-direct band gap transformation is triggered not only by (kinetic-energy controlled) quantum confinement but also by (potential-energy controlled) band repulsion and localization. On its own, neither of the two effects can explain by itself the energy evolution of the band-edge states relevant to the transformation; (ii) when n decreased, there emerge distinct regimes with characteristic localization prototypes of band-edge states deciding the optical response of the system. They are distinguished by the real-space direct/indirect in combination with momentum-space direct/indirect nature of electron and hole states and give rise to distinct types of charge distribution of the photoexcited carriers that control excitonic behaviors; (iii) the various regimes associated with different localization prototypes are predicted to change with modification of cations and anions in the complete MX2 (M = Cr, Mo, W and X = S, Se, Te) series. These results offer new insight into understanding the excitonic properties (e.g., binding energy, lifetime etc.) of multiple layered MX2 and their heterostructures.

[The development of the nongovernmental public health sector in a transitional economy].

PubMed

Golukhov, G N; Shilenko, A Iu; Shilenko, Iu V

1996-01-01

The authors compare the development of state and non-state public health. They analyze the potentialities of non-state noncommercial medicine and the peculiarities of its development. With this aim in view, they consider the forms of property and numerous organizational and legal forms of institutions and organizations in public health, as well as the mechanisms of quality control within the framework of non-state public health.

Using Simulation to Model and Validate Invasive Breast Cancer Progression in Women in the Study and Control Groups of the Canadian National Breast Screening Studies I and II.

PubMed

Taghipour, Sharareh; Caudrelier, Laurent N; Miller, Anthony B; Harvey, Bart

2017-02-01

Modeling breast cancer progression and the effect of various risk is helpful in deciding when a woman should start and end screening, and how often the screening should be undertaken. We modeled the natural progression of breast cancer using a hidden Markov process, and incorporated the effects of covariates. Patients are women aged 50-59 (older) and 40-49 (younger) years from the Canadian National Breast Screening Studies. We included prevalent cancers, estimated the screening sensitivities and rates of over-diagnosis, and validated the models using simulation. We found that older women have a higher rate of transition from a healthy to preclinical state and other causes of death but a lower rate of transition from preclinical to clinical state. Reciprocally, younger women have a lower rate of transition from a healthy to preclinical state and other causes of death but a higher rate of transition from a preclinical to clinical state. Different risk factors were significant for the age groups. The mean sojourn times for older and younger women were 2.53 and 2.96 years, respectively. In the study group, the sensitivities of the initial physical examination and mammography for older and younger women were 0.87 and 0.81, respectively, and the sensitivity of the subsequent screens were 0.78 and 0.53, respectively. In the control groups, the sensitivities of the initial physical examination for older and younger women were 0.769 and 0.671, respectively, and the sensitivity of the subsequent physical examinations for the control group aged 50-59 years was 0.37. The upper-bounds for over-diagnosis in older and younger women were 25% and 27%, respectively. The present work offers a basis for the better modeling of cancer incidence for a population with the inclusion of prevalent cancers.

Order and disorder in coupled metronome systems

NASA Astrophysics Data System (ADS)

Boda, Sz.; Davidova, L.; Néda, Z.

2014-04-01

Metronomes placed on a smoothly rotating disk are used for exemplifying order-disorder type phase-transitions. The ordered phase corresponds to spontaneously synchronized beats, while the disordered state is when the metronomes swing in unsynchronized manner. Using a given metronome ensemble, we propose several methods for switching between ordered and disordered states. The system is studied by controlled experiments and a realistic model. The model reproduces the experimental results, and allows to study large ensembles with good statistics. Finite-size effects and the increased fluctuation in the vicinity of the phase-transition point are also successfully reproduced.

Control of diastereoselectivity by solvent effects in the addition of Grignard reagents to enantiopure t-butylsulfinimine: syntheses of the stereoisomers of the hydroxyl derivatives of sibutramine.

PubMed

Lu, Bruce Z; Senanayake, Chris; Li, Nansheng; Han, Zhengxu; Bakale, Roger P; Wald, Stephen A

2005-06-23

[reaction: see text] An efficient method has been developed to prepare all four isomers of the hydroxyl derivatives of sibutramine by addition of Grignard reagents (R)- or (S)-5 to a single enantiomer of sulfinyl imine (R)-1 simply by tuning the reaction solvent. The phenomenon of the reversed diastereoselectivity in CH(2)Cl(2) and THF implied that the reaction may proceed through a chelated cyclic transition state in CH(2)Cl(2) and nonchelated acyclic transition state in THF.

Dissociation of methane on the surface of charged defective carbon nanotubes

NASA Astrophysics Data System (ADS)

Guo, Z. H.; Yan, X. H.; Xiao, Y.

2010-03-01

Based on the framework of density functional theory (CASTEP and DMOL 3 codes), we simulate the dissociation of methane (CH 4) molecule on the surface of charged defective carbon nanotubes (CNTs). The results display that a charged CNT with carbon (C) and molybdenum (Mo) dopants can effectively dissociate CH 4 molecule, and the adsorption strength of H and CH 3 can be controlled by the injected negative charges. Moreover, the barrier between the transition state (TS) and the reactant is 0.1014 eV, and a single imaginary frequency of -0.3 cm is found for the transition state structure.

Statistical moments of quantum-walk dynamics reveal topological quantum transitions.

PubMed

Cardano, Filippo; Maffei, Maria; Massa, Francesco; Piccirillo, Bruno; de Lisio, Corrado; De Filippis, Giulio; Cataudella, Vittorio; Santamato, Enrico; Marrucci, Lorenzo

2016-04-22

Many phenomena in solid-state physics can be understood in terms of their topological properties. Recently, controlled protocols of quantum walk (QW) are proving to be effective simulators of such phenomena. Here we report the realization of a photonic QW showing both the trivial and the non-trivial topologies associated with chiral symmetry in one-dimensional (1D) periodic systems. We find that the probability distribution moments of the walker position after many steps can be used as direct indicators of the topological quantum transition: while varying a control parameter that defines the system phase, these moments exhibit a slope discontinuity at the transition point. Numerical simulations strongly support the conjecture that these features are general of 1D topological systems. Extending this approach to higher dimensions, different topological classes, and other typologies of quantum phases may offer general instruments for investigating and experimentally detecting quantum transitions in such complex systems.

Statistical moments of quantum-walk dynamics reveal topological quantum transitions

PubMed Central

Cardano, Filippo; Maffei, Maria; Massa, Francesco; Piccirillo, Bruno; de Lisio, Corrado; De Filippis, Giulio; Cataudella, Vittorio; Santamato, Enrico; Marrucci, Lorenzo

2016-01-01

Many phenomena in solid-state physics can be understood in terms of their topological properties. Recently, controlled protocols of quantum walk (QW) are proving to be effective simulators of such phenomena. Here we report the realization of a photonic QW showing both the trivial and the non-trivial topologies associated with chiral symmetry in one-dimensional (1D) periodic systems. We find that the probability distribution moments of the walker position after many steps can be used as direct indicators of the topological quantum transition: while varying a control parameter that defines the system phase, these moments exhibit a slope discontinuity at the transition point. Numerical simulations strongly support the conjecture that these features are general of 1D topological systems. Extending this approach to higher dimensions, different topological classes, and other typologies of quantum phases may offer general instruments for investigating and experimentally detecting quantum transitions in such complex systems. PMID:27102945

Community health politics: transition of the Seattle USPHS Hospital.

PubMed Central

Hughes, R G; Tompkins, R K

1984-01-01

To achieve transition of the Seattle US Public Health Service Hospital from federal to local control, the community overcame large obstacles; the most difficult was federal preference for closing the hospital rather than incurring additional costs essential for transition. The Washington State Congressional Delegation, local officials, hospital staff, patients and numerous community volunteers--individuals and private organizations--worked together to save the hospital and secure federal resources for its transition. Going through the transition influenced the hospital as it developed a new corporate structure, designed new administrative systems, and prepared to operate in a new environment while facing an uncertain future. The hospital has continued to cope with issues arising from transition, such as operating in a competitive context while reaffirming its community service heritage. Despite the difficulties of transition, Seattle preserved a valuable community health resource. PMID:6547029

Community health politics: transition of the Seattle USPHS Hospital.

PubMed

Hughes, R G; Tompkins, R K

1984-06-01

To achieve transition of the Seattle US Public Health Service Hospital from federal to local control, the community overcame large obstacles; the most difficult was federal preference for closing the hospital rather than incurring additional costs essential for transition. The Washington State Congressional Delegation, local officials, hospital staff, patients and numerous community volunteers--individuals and private organizations--worked together to save the hospital and secure federal resources for its transition. Going through the transition influenced the hospital as it developed a new corporate structure, designed new administrative systems, and prepared to operate in a new environment while facing an uncertain future. The hospital has continued to cope with issues arising from transition, such as operating in a competitive context while reaffirming its community service heritage. Despite the difficulties of transition, Seattle preserved a valuable community health resource.

Near-Field Nanoscopy of Metal-Insulator Phase Transitions Towards Synthesis of Novel Correlated Transition Metal Oxides and Their Interaction with Plasmon Resonances

DTIC Science & Technology

2016-01-05

and to utilize the phase transtion states of VO2 to control and manipulate local plasmon resonaces. First, we imaged the charge dynamics in (MIT) of...Then we studied the interaction of VO2 with plasmons . Both the film VO2 and the crystal VO2 were 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13...Novel Correlated Transition Metal Oxides and Their Interaction with Plasmon Resonances The views, opinions and/or findings contained in this report are

Guidance and flight control law development for hypersonic vehicles

NASA Technical Reports Server (NTRS)

Calise, A. J.; Markopoulos, N.

1993-01-01

During the third reporting period our efforts were focused on a reformulation of the optimal control problem involving active state-variable inequality constraints. In the reformulated problem the optimization is carried out not with respect to all controllers, but only with respect to asymptotic controllers leading to the state constraint boundary. Intimately connected with the traditional formulation is the fact that when the reduced solution for such problems lies on a state constraint boundary, the corresponding boundary layer transitions are of finite time in the stretched time scale. Thus, it has been impossible so far to apply the classical asymptotic boundary layer theory to such problems. Moreover, the traditional formulation leads to optimal controllers that are one-sided, that is, they break down when a disturbance throws the system on the prohibited side of the state constraint boundary.

Geometric structure and information change in phase transitions

NASA Astrophysics Data System (ADS)

Kim, Eun-jin; Hollerbach, Rainer

2017-06-01

We propose a toy model for a cyclic order-disorder transition and introduce a geometric methodology to understand stochastic processes involved in transitions. Specifically, our model consists of a pair of forward and backward processes (FPs and BPs) for the emergence and disappearance of a structure in a stochastic environment. We calculate time-dependent probability density functions (PDFs) and the information length L , which is the total number of different states that a system undergoes during the transition. Time-dependent PDFs during transient relaxation exhibit strikingly different behavior in FPs and BPs. In particular, FPs driven by instability undergo the broadening of the PDF with a large increase in fluctuations before the transition to the ordered state accompanied by narrowing the PDF width. During this stage, we identify an interesting geodesic solution accompanied by the self-regulation between the growth and nonlinear damping where the time scale τ of information change is constant in time, independent of the strength of the stochastic noise. In comparison, BPs are mainly driven by the macroscopic motion due to the movement of the PDF peak. The total information length L between initial and final states is much larger in BPs than in FPs, increasing linearly with the deviation γ of a control parameter from the critical state in BPs while increasing logarithmically with γ in FPs. L scales as |lnD | and D-1 /2 in FPs and BPs, respectively, where D measures the strength of the stochastic forcing. These differing scalings with γ and D suggest a great utility of L in capturing different underlying processes, specifically, diffusion vs advection in phase transition by geometry. We discuss physical origins of these scalings and comment on implications of our results for bistable systems undergoing repeated order-disorder transitions (e.g., fitness).

Geometric structure and information change in phase transitions.

PubMed

Kim, Eun-Jin; Hollerbach, Rainer

2017-06-01

We propose a toy model for a cyclic order-disorder transition and introduce a geometric methodology to understand stochastic processes involved in transitions. Specifically, our model consists of a pair of forward and backward processes (FPs and BPs) for the emergence and disappearance of a structure in a stochastic environment. We calculate time-dependent probability density functions (PDFs) and the information length L, which is the total number of different states that a system undergoes during the transition. Time-dependent PDFs during transient relaxation exhibit strikingly different behavior in FPs and BPs. In particular, FPs driven by instability undergo the broadening of the PDF with a large increase in fluctuations before the transition to the ordered state accompanied by narrowing the PDF width. During this stage, we identify an interesting geodesic solution accompanied by the self-regulation between the growth and nonlinear damping where the time scale τ of information change is constant in time, independent of the strength of the stochastic noise. In comparison, BPs are mainly driven by the macroscopic motion due to the movement of the PDF peak. The total information length L between initial and final states is much larger in BPs than in FPs, increasing linearly with the deviation γ of a control parameter from the critical state in BPs while increasing logarithmically with γ in FPs. L scales as |lnD| and D^{-1/2} in FPs and BPs, respectively, where D measures the strength of the stochastic forcing. These differing scalings with γ and D suggest a great utility of L in capturing different underlying processes, specifically, diffusion vs advection in phase transition by geometry. We discuss physical origins of these scalings and comment on implications of our results for bistable systems undergoing repeated order-disorder transitions (e.g., fitness).

Description of the control system design for the SSF PMAD DC testbed

NASA Technical Reports Server (NTRS)

Baez, Anastacio N.; Kimnach, Greg L.

1991-01-01

The Power Management and Distribution (PMAD) DC Testbed Control System for Space Station Freedom was developed using a top down approach based on classical control system and conventional terrestrial power utilities design techniques. The design methodology includes the development of a testbed operating concept. This operating concept describes the operation of the testbed under all possible scenarios. A unique set of operating states was identified and a description of each state, along with state transitions, was generated. Each state is represented by a unique set of attributes and constraints, and its description reflects the degree of system security within which the power system is operating. Using the testbed operating states description, a functional design for the control system was developed. This functional design consists of a functional outline, a text description, and a logical flowchart for all the major control system functions. Described here are the control system design techniques, various control system functions, and the status of the design and implementation.

Alocomotino Control Algorithm for Robotic Linkage Systems

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

Dohner, Jeffrey L.

This dissertation describes the development of a control algorithm that transitions a robotic linkage system between stabilized states producing responsive locomotion. The developed algorithm is demonstrated using a simple robotic construction consisting of a few links with actuation and sensing at each joint. Numerical and experimental validation is presented.

Transition energies and polarizabilities of hydrogen like ions in plasma

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

Das, Madhusmita

2012-09-15

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

Optical Feshbach resonances and ground-state-molecule production in the RbHg system

NASA Astrophysics Data System (ADS)

Borkowski, Mateusz; Muñoz Rodriguez, Rodolfo; Kosicki, Maciej B.; Ciuryło, Roman; Żuchowski, Piotr S.

2017-12-01

We present the prospects for photoassociation, optical control of interspecies scattering lengths, and, finally, the production of ultracold absolute ground-state molecules in the Rb+Hg system. We use the state-of-the-art ab initio methods for the calculations of ground- [CCSD(T)] and excited-state (EOM-CCSD) potential curves. The RbHg system, thanks to the wide range of stable Hg bosonic isotopes, offers possibilities for mass tuning of ground-state interactions. The optical lengths describing the strengths of optical Feshbach resonances near the Rb transitions are favorable even at large laser detunings. Ground-state RbHg molecules can be produced with efficiencies ranging from about 20% for deeply bound to at least 50% for weakly bound states close to the dissociation limit. Finally, electronic transitions with favorable Franck-Condon factors can be found for the purposes of a STIRAP transfer of the weakly bound RbHg molecules to the absolute ground state using commercially available lasers.

Design of UV laser pulses for the preparation of matrix isolated homonuclear diatomic molecules in selective vibrational superposition states.

PubMed

Korolkov, M V; Manz, J

2007-05-07

The preparation of matrix isolated homonuclear diatomic molecules in a vibrational superposition state c0Phie=1,v=0+cjPhie=1,v=j, with large (|c0|2 approximately 1) plus small contributions (|cj|2<1) of the ground v=0 and specific v=j low excited vibrational eigenstates, respectively, in the electronic ground (e=1) state, and without any net population transfer to electronic excited (e>1) states, is an important challenge; it serves as a prerequisite for coherent spin control. For this purpose, the authors investigate two scenarios of laser pulse control, involving sequential or intrapulse pump- and dump-type transitions via excited vibronic states Phiex,k with a dominant singlet or triplet character. The mechanisms are demonstrated by means of quantum simulations for representative nuclear wave packets on coupled potential energy surfaces, using as an example a one-dimensional model for Cl2 in an Ar matrix. A simple three-state model (including Phi1,0, Phi1,j and Phiex,k) allows illuminating analyses and efficient determinations of the parameters of the laser pulses based on the values of the transition energies and dipole couplings of the transient state which are derived from the absorption spectra.

[Radiation-induced genomic instability: phenomenon, molecular mechanisms, pathogenetic significance].

PubMed

Mazurik, V K; Mikhaĭlov, V F

2001-01-01

The recent data on the radiation-induced genome instability as a special state of progeny of cells irradiated in vitro as well as after a whole body exposure to ionizing radiation, that make these cells considerably different from normal, unirradiated cells, were considered. This state presents a number of cytogenetical, molecular-biological, cytological and biochemical manifestations untypical for normal cells. The state is controlled by the mechanisms of regulation of checkpoints of cell cycle, and apoptosis, that is under gene p53 control. The proof has been found that this state transfers from irradiated maternal cells to their surviving progeny by the epigenetical mechanisms and would exist until the cells restore the original state of response on the DNA damage. From the point of view of the genome instability conception, that considers the chromatine rearrangement as the adaptive-evolution mechanism of adaptation of the species to changeable environmental conditions, the radiation-induced genome instability may be considered as transition of irradiated progeny to the state of read these to adaptation changes with two alternative pathways. The first leads to adaptation to enviromental conditions and restoring of normal cell functions. The second presents the cell transition into the transformed state with remain genome instability and with increase of tumour growth probability.

From State-controlled to Polycentric Governance in Forest Landscape Restoration: The Case of the Ecological Forest Purchase Program in Yong'an Municipality of China.

PubMed

Long, Hexing; Liu, Jinlong; Tu, Chengyue; Fu, Yimin

2018-07-01

Forest landscape restoration is emerging as an effective approach to restore degraded forests for the provision of ecosystem services and to minimize trade-offs between conservation and rural livelihoods. Policy and institutional innovations in China illustrate the governance transformation of forest landscape restoration from state-controlled to polycentric governance. Based on a case study of the Ecological Forest Purchase Program in Yong'an municipality, China's Fujian Province, this paper explores how such forest governance transformation has evolved and how it has shaped the outcomes of forest landscape restoration in terms of multi-dimensionality and actor configurations. Our analysis indicates that accommodating the participation of multiple actors and market-based instruments facilitate a smoother transition from state-centered to polycentric governance in forest landscape restoration. Governance transitions for forest landscape restoration must overcome a number of challenges including ensurance of a formal participation forum, fair participation, and a sustainable legislative and financial system to enhance long-term effectiveness.

Precision Measurements with a Molecular Clock

NASA Astrophysics Data System (ADS)

Grier, Andrew; McDonald, Mickey; McGuyer, Bart; Iwata, Geoffrey; Apfelbeck, Florian; Tarallo, Marco; Zelevinsky, Tanya

2015-05-01

We report on recent results obtained with photoassociated Sr2 molecules confined in a lattice. Sr2 has a range of electronically excited bound states which are readily accessible with optical wavelengths using the narrow 1S0->3P1 intercombination line. As in Nat. Phys. 11, 32, we measure the lifetimes of the narrow, deeply-bound subradiant states in the 1g (1S0+3P1 dissociative limit) potential, allowing for coherent control of molecules and a comparison with theoretical predictions of the lifetimes and transition strengths of these states. Next, we study ultracold photodissociation of Sr2 molecules through abortion of one and two photons near the atomic intercombination line. This allows us to observe the vector character of transition elements through the angular dissociation pattern and to directly measure barrier heights in the excited state potentials. Finally, as shown in PRL 114, 023001, we demonstrate that in a non-magic lattice, a narrow transition can be used to measure the trapped gas temperature through the linewidth of the spectral feature corresponding to the carrier transitions. We use this technique to measure the temperature of Sr2 molecules to 10x higher precision than with standard techniques. We discuss future prospects with this molecular lattice clock. Funding from NIST, ARO, and NSF IGERT.

Sharp Transition from Nonmetallic Au246 to Metallic Au279 with Nascent Surface Plasmon Resonance.

PubMed

Higaki, Tatsuya; Zhou, Meng; Lambright, Kelly J; Kirschbaum, Kristin; Sfeir, Matthew Y; Jin, Rongchao

2018-05-02

The optical properties of metal nanoparticles have attracted wide interest. Recent progress in controlling nanoparticles with atomic precision (often called nanoclusters) provide new opportunities for investigating many fundamental questions, such as the transition from excitonic to plasmonic state, which is a central question in metal nanoparticle research because it provides insights into the origin of surface plasmon resonance (SPR) as well as the formation of metallic bond. However, this question still remains elusive because of the extreme difficulty in preparing atomically precise nanoparticles larger than 2 nm. Here we report the synthesis and optical properties of an atomically precise Au 279 (SR) 84 nanocluster. Femtosecond transient absorption spectroscopic analysis reveals that the Au 279 nanocluster shows a laser power dependence in its excited state lifetime, indicating metallic state of the particle, in contrast with the nonmetallic electronic structure of the Au 246 (SR) 80 nanocluster. Steady-state absorption spectra reveal that the nascent plasmon band of Au 279 at 506 nm shows no peak shift even down to 60 K, consistent with plasmon behavior. The sharp transition from nonmetallic Au 246 to metallic Au 279 is surprising and will stimulate future theoretical work on the transition and many other relevant issues.

Exact steady state of a Kerr resonator with one- and two-photon driving and dissipation: Controllable Wigner-function multimodality and dissipative phase transitions

NASA Astrophysics Data System (ADS)

Bartolo, Nicola; Minganti, Fabrizio; Casteels, Wim; Ciuti, Cristiano

2016-09-01

We present exact results for the steady-state density matrix of a general class of driven-dissipative systems consisting of a nonlinear Kerr resonator in the presence of both coherent (one-photon) and parametric (two-photon) driving and dissipation. Thanks to the analytical solution, obtained via the complex P -representation formalism, we are able to explore any regime, including photon blockade, multiphoton resonant effects, and a mesoscopic regime with large photon density and quantum correlations. We show how the interplay between one- and two-photon driving provides a way to control the multimodality of the Wigner function in regimes where the semiclassical theory exhibits multistability. We also study the emergence of dissipative phase transitions in the thermodynamic limit of large photon numbers.

Local Peltier-effect-induced reversible metal–insulator transition in VO{sub 2} nanowires

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

Takami, Hidefumi; Kanki, Teruo, E-mail: kanki@sanken.osaka-u.ac.jp, E-mail: h-tanaka@sanken.osaka-u.ac.jp; Tanaka, Hidekazu, E-mail: kanki@sanken.osaka-u.ac.jp, E-mail: h-tanaka@sanken.osaka-u.ac.jp

2016-06-15

We report anomalous resistance leaps and drops in VO{sub 2} nanowires with operating current density and direction, showing reversible and nonvolatile switching. This event is associated with the metal–insulator phase transition (MIT) of local nanodomains with coexistence states of metallic and insulating phases induced by thermoelectric cooling and heating effects. Because the interface of metal and insulator domains has much different Peltier coefficient, it is possible that a significant Peltier effect would be a source of the local MIT. This operation can be realized by one-dimensional domain configuration in VO{sub 2} nanowires because one straight current path through the electronicmore » domain-interface enables theoretical control of thermoelectric effects. This result will open a new method of reversible control of electronic states in correlated electron materials.« less

Revealing the dark side of a bright exciton–polariton condensate

PubMed Central

Ménard, J. -M.; Poellmann, C.; Porer, M.; Leierseder, U.; Galopin, E.; Lemaître, A.; Amo, A.; Bloch, J.; Huber, R.

2014-01-01

Condensation of bosons causes spectacular phenomena such as superfluidity or superconductivity. Understanding the nature of the condensed particles is crucial for active control of such quantum phases. Fascinating possibilities emerge from condensates of light–matter-coupled excitations, such as exciton–polaritons, photons hybridized with hydrogen-like bound electron–hole pairs. So far, only the photon component has been resolved, while even the mere existence of excitons in the condensed regime has been challenged. Here we trace the matter component of polariton condensates by monitoring intra-excitonic terahertz transitions. We study how a reservoir of optically dark excitons forms and feeds the degenerate state. Unlike atomic gases, the atom-like transition in excitons is dramatically renormalized on macroscopic ground state population. Our results establish fundamental differences between polariton condensation and photon lasing and open possibilities for coherent control of condensates. PMID:25115964

Scalable uniform construction of highly conditional quantum gates

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

Ivanov, Svetoslav S.; Vitanov, Nikolay V.

2011-08-15

We present a scalable uniform technique for the construction of highly conditional multiply-controlled-not quantum gates of trapped ion qubits, such as the Toffoli gate, without using ancilla states and circuits of an exorbitant number of concatenated one- and two-qubit gates. Apart from the initial dressing of the internal qubit states with vibrational phonons and the final restoration of the phonon ground state, our technique requires the application of just a single composite pulse on the target qubit and is applicable both in and outside the Lamb-Dicke regime. We design special narrowband composite pulses, which suppress all transitions but the conditionalmore » transition of the target qubit; moreover, these composite pulses significantly improve the spatial addressing selectivity.« less

Topotactic Metal-Insulator Transition in Epitaxial SrFeO x Thin Films

DOE PAGES

Khare, Amit; Shin, Dongwon; Yoo, Tae Sup; ...

2017-07-31

Multivalent transition metal oxides provide fascinating and rich physics related to oxygen stoichiometry. In particular, the adoptability of various valence states of transition metals enables perovskite oxides to display mixed (oxygen) ionic and electronic conduction and catalytic activity useful in many practical applications, including solid-oxide fuel cells (SOFCs), rechargeable batteries, gas sensors, and memristive devices. For proper realization of the ionic conduction and catalytic activity, it is essential to understand the reversible oxidation and reduction process, which is governed by oxygen storage/release steps in oxides. Topotactic phase transformation facilitates the redox process in perovskites with specific oxygen vacancy ordering bymore » largely varying the oxygen concentration of a material without losing the lattice framework. The concentration and diffusion of oxide ions (O 2–), the valence state of the transition metal cations, and the thermodynamic structural integrity together provide fundamental understanding and ways to explicitly control the redox reaction.[6] In addition, it offers an attractive route for tuning the emergent physical properties of transition metal oxides, via strong coupling between the crystal lattice and electronic structure.« less

Ionic switch controls the DNA state in phage λ

PubMed Central

Li, Dong; Liu, Ting; Zuo, Xiaobing; Li, Tao; Qiu, Xiangyun; Evilevitch, Alex

2015-01-01

We have recently found that DNA packaged in phage λ undergoes a disordering transition triggered by temperature, which results in increased genome mobility. This solid-to-fluid like DNA transition markedly increases the number of infectious λ particles facilitating infection. However, the structural transition strongly depends on temperature and ionic conditions in the surrounding medium. Using titration microcalorimetry combined with solution X-ray scattering, we mapped both energetic and structural changes associated with transition of the encapsidated λ-DNA. Packaged DNA needs to reach a critical stress level in order for transition to occur. We varied the stress on DNA in the capsid by changing the temperature, packaged DNA length and ionic conditions. We found striking evidence that the intracapsid DNA transition is ‘switched on’ at the ionic conditions mimicking those in vivo and also at the physiologic temperature of infection at 37°C. This ion regulated on-off switch of packaged DNA mobility in turn affects viral replication. These results suggest a remarkable adaptation of phage λ to the environment of its host bacteria in the human gut. The metastable DNA state in the capsid provides a new paradigm for the physical evolution of viruses. PMID:26092697

Ionic switch controls the DNA state in phage λ

DOE PAGES

Li, Dong; Liu, Ting; Zuo, Xiaobing; ...

2015-06-19

We have recently found that DNA packaged in phage λ undergoes a disordering transition triggered by temperature, which results in increased genome mobility. This solid-to-fluid like DNA transition markedly increases the number of infectious λ particles facilitating infection. However, the structural transition strongly depends on temperature and ionic conditions in the surrounding medium. Using titration microcalorimetry combined with solution X-ray scattering, we mapped both energetic and structural changes associated with transition of the encapsidated λ-DNA. Packaged DNA needs to reach a critical stress level in order for transition to occur. We varied the stress on DNA in the capsid bymore » changing the temperature, packaged DNA length and ionic conditions. We found striking evidence that the intracapsid DNA transition is ‘switched on’ at the ionic conditions mimicking those in vivo and also at the physiologic temperature of infection at 37°C. This ion regulated on-off switch of packaged DNA mobility in turn affects viral replication. The results suggest a remarkable adaptation of phage λ to the environment of its host bacteria in the human gut. The metastable DNA state in the capsid provides a new paradigm for the physical evolution of viruses.« less

Ionic switch controls the DNA state in phage λ

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

Li, Dong; Liu, Ting; Zuo, Xiaobing

We have recently found that DNA packaged in phage λ undergoes a disordering transition triggered by temperature, which results in increased genome mobility. This solid-to-fluid like DNA transition markedly increases the number of infectious λ particles facilitating infection. However, the structural transition strongly depends on temperature and ionic conditions in the surrounding medium. Using titration microcalorimetry combined with solution X-ray scattering, we mapped both energetic and structural changes associated with transition of the encapsidated λ-DNA. Packaged DNA needs to reach a critical stress level in order for transition to occur. We varied the stress on DNA in the capsid bymore » changing the temperature, packaged DNA length and ionic conditions. We found striking evidence that the intracapsid DNA transition is ‘switched on’ at the ionic conditions mimicking those in vivo and also at the physiologic temperature of infection at 37°C. This ion regulated on-off switch of packaged DNA mobility in turn affects viral replication. The results suggest a remarkable adaptation of phage λ to the environment of its host bacteria in the human gut. The metastable DNA state in the capsid provides a new paradigm for the physical evolution of viruses.« less

High-order multipole radiation from quantum Hall states in Dirac materials

NASA Astrophysics Data System (ADS)

Gullans, Michael J.; Taylor, Jacob M.; Imamoǧlu, Ataç; Ghaemi, Pouyan; Hafezi, Mohammad

2017-06-01

We investigate the optical response of strongly disordered quantum Hall states in two-dimensional Dirac materials and find qualitatively different effects in the radiation properties of the bulk versus the edge. We show that the far-field radiation from the edge is characterized by large multipole moments (>50 ) due to the efficient transfer of angular momentum from the electrons into the scattered light. The maximum multipole transition moment is a direct measure of the coherence length of the edge states. Accessing these multipole transitions would provide new tools for optical spectroscopy and control of quantum Hall edge states. On the other hand, the far-field radiation from the bulk appears as random dipole emission with spectral properties that vary with the local disorder potential. We determine the conditions under which this bulk radiation can be used to image the disorder landscape. Such optical measurements can probe submicron-length scales over large areas and provide complementary information to scanning probe techniques. Spatially resolving this bulk radiation would serve as a novel probe of the percolation transition near half filling.

Coherent Control of Ground State NaK Molecules

NASA Astrophysics Data System (ADS)

Yan, Zoe; Park, Jee Woo; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin

2016-05-01

Ultracold dipolar molecules exhibit anisotropic, tunable, long-range interactions, making them attractive for the study of novel states of matter and quantum information processing. We demonstrate the creation and control of 23 Na40 K molecules in their rovibronic and hyperfine ground state. By applying microwaves, we drive coherent Rabi oscillations of spin-polarized molecules between the rotational ground state (J=0) and J=1. The control afforded by microwave manipulation allows us to pursue engineered dipolar interactions via microwave dressing. By driving a two-photon transition, we are also able to observe Ramsey fringes between different J=0 hyperfine states, with coherence times as long as 0.5s. The realization of long coherence times between different molecular states is crucial for applications in quantum information processing. NSF, AFOSR- MURI, Alfred P. Sloan Foundation, DARPA-OLE

"The horizon opened up very greatly": Leland O. Howard and the transition to chemical insecticides in the United States, 1894-1927.

PubMed

McWilliams, James E

2008-01-01

The transition to synthetic chemicals as a popular method of insect control in the United States was one of the most critical developments in the history of American agriculture. Historians of agriculture have effectively identified the rise and charted the dominance of early chemical insecticides as they came to define commercial agriculture between the emergence of Paris green in the 1870s and the popularity of DDT in the 1940s and beyond. Less understood, however, are the underlying mechanics of this transition. this article thus takes up the basic question of how farmers and entomologists who were once dedicated to an impressively wide range of insect control options ultimately settled on the promise of a chemically driven approach to managing destructive insects. Central to this investigation is an emphasis on the bureaucratic maneuverings of Leland O. Howard, who headed the Bureau of Entomology from 1894 to 1927. Like most entomologists of his era, Howard was theoretically interested in pursuing a wide variety of control methods--biological, chemical, and cultural included. In the end, however, he employed several tactics to streamline the government's efforts to almost exclusively support arsenic and lead-based chemical insecticides as the most commercially viable form of insect control. While Howard in no way "caused" the national turn to chemicals, this article charts the pivotal role he played in fostering that outcome.

Quantum Phase Transitions in Conventional Matrix Product Systems

NASA Astrophysics Data System (ADS)

Zhu, Jing-Min; Huang, Fei; Chang, Yan

2017-02-01

For matrix product states(MPSs) of one-dimensional spin-1/2 chains, we investigate a new kind of conventional quantum phase transition(QPT). We find that the system has two different ferromagnetic phases; on the line of the two ferromagnetic phases coexisting equally, the system in the thermodynamic limit is in an isolated mediate-coupling state described by a paramagnetic state and is in the same state as the renormalization group fixed point state, the expectation values of the physical quantities are discontinuous, and any two spin blocks of the system have the same geometry quantum discord(GQD) within the range of open interval (0,0.25) and the same classical correlation(CC) within the range of open interval (0,0.75) compared to any phase having no any kind of correlation. We not only realize the control of QPTs but also realize the control of quantum correlation of quantum many-body systems on the critical line by adjusting the environment parameters, which may have potential application in quantum information fields and is helpful to comprehensively and deeply understand the quantum correlation, and the organization and structure of quantum correlation especially for long-range quantum correlation of quantum many-body systems.

Control of Tollmien-Schlichting instabilities by finite distributed wall actuation

NASA Astrophysics Data System (ADS)

Losse, Nikolas R.; King, Rudibert; Zengl, Marcus; Rist, Ulrich; Noack, Bernd R.

2011-06-01

Tollmien-Schlichting waves are one of the key mechanisms triggering the laminar-turbulent transition in a flat-plate boundary-layer flow. By damping these waves and thus delaying transition, skin friction drag can be significantly decreased. In this simulation study, a wall segment is actuated according to a control scheme based on a POD-Galerkin model driven extended Kalman filter for state estimation and a model predictive controller to dampen TS waves by negative superposition based on this information. The setup of the simulation is chosen to resemble actuation with a driven compliant wall, such as a membrane actuator. Most importantly, a method is proposed to integrate such a localized wall actuation into a Galerkin model.

Magnetic-flux-driven topological quantum phase transition and manipulation of perfect edge states in graphene tube.

PubMed

Lin, S; Zhang, G; Li, C; Song, Z

2016-08-24

We study the tight-binding model for a graphene tube with perimeter N threaded by a magnetic field. We show exactly that this model has different nontrivial topological phases as the flux changes. The winding number, as an indicator of topological quantum phase transition (QPT) fixes at N/3 if N/3 equals to its integer part [N/3], otherwise it jumps between [N/3] and [N/3] + 1 periodically as the flux varies a flux quantum. For an open tube with zigzag boundary condition, exact edge states are obtained. There exist two perfect midgap edge states, in which the particle is completely located at the boundary, even for a tube with finite length. The threading flux can be employed to control the quantum states: transferring the perfect edge state from one end to the other, or generating maximal entanglement between them.

Stochastic Optimal Control via Bellman's Principle

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Sun, Jian Q.

2003-01-01

This paper presents a method for finding optimal controls of nonlinear systems subject to random excitations. The method is capable to generate global control solutions when state and control constraints are present. The solution is global in the sense that controls for all initial conditions in a region of the state space are obtained. The approach is based on Bellman's Principle of optimality, the Gaussian closure and the Short-time Gaussian approximation. Examples include a system with a state-dependent diffusion term, a system in which the infinite hierarchy of moment equations cannot be analytically closed, and an impact system with a elastic boundary. The uncontrolled and controlled dynamics are studied by creating a Markov chain with a control dependent transition probability matrix via the Generalized Cell Mapping method. In this fashion, both the transient and stationary controlled responses are evaluated. The results show excellent control performances.

Identification of key residues for protein conformational transition using elastic network model.

PubMed

Su, Ji Guo; Xu, Xian Jin; Li, Chun Hua; Chen, Wei Zu; Wang, Cun Xin

2011-11-07

Proteins usually undergo conformational transitions between structurally disparate states to fulfill their functions. The large-scale allosteric conformational transitions are believed to involve some key residues that mediate the conformational movements between different regions of the protein. In the present work, a thermodynamic method based on the elastic network model is proposed to predict the key residues involved in protein conformational transitions. In our method, the key functional sites are identified as the residues whose perturbations largely influence the free energy difference between the protein states before and after transition. Two proteins, nucleotide binding domain of the heat shock protein 70 and human/rat DNA polymerase β, are used as case studies to identify the critical residues responsible for their open-closed conformational transitions. The results show that the functionally important residues mainly locate at the following regions for these two proteins: (1) the bridging point at the interface between the subdomains that control the opening and closure of the binding cleft; (2) the hinge region between different subdomains, which mediates the cooperative motions between the corresponding subdomains; and (3) the substrate binding sites. The similarity in the positions of the key residues for these two proteins may indicate a common mechanism in their conformational transitions.

Investigation of the kinetics and microscopic mechanism of solid-solid phase transitions in HMX

NASA Astrophysics Data System (ADS)

Bowlan, Pamela; Suvorova, Natalya; Oschwald, Dave; Bowlan, John; Rector, Kirk; Henson, Bryan; Smilowitz, Laura

2017-06-01

Although studied intensely in the 2000's, a number of important questions about solid-solid phase transitions in the energetic organic material octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) remain. The mechanism by which one of the four isomorphs, known as δ, γ, α and β, transforms into another, and the conditions (i.e. temperature and pressure) and rates at which these transitions take place are still not fully known, yet important for predicting and controlling energy release phenomena in HMX such as detonation. The theory of virtual melting, by which a liquid forms at the interface of a nucleation site, is necessary to explain transformations between certain of the four different phases of HMX, such as the β to δ transition. However the existence of this disordered intermediate state has never been directly proven due to the need for both spatial (<µm), temporal (the lifetime of the transient melt state is unknown) and structural information. Also, while the β to δ transition was more thoroughly studied, less is known about the other 10 possible phase transitions. We will report on our study of phase transitions in HMX using X-ray diffraction and confocal Raman and near-field infrared microscopy.

The nature of photoinduced phase transition and metastable states in vanadium dioxide

DOE PAGES

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; ...

2016-12-16

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO 2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M 2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picosecondsmore » at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.« less

Nanomorphology Effects in Semiconductors with Native Ferromagnetism: Hierarchical Europium (II) Oxide Tubes Prepared via a Topotactic Nanostructure Transition.

PubMed

Trepka, Bastian; Erler, Philipp; Selzer, Severin; Kollek, Tom; Boldt, Klaus; Fonin, Mikhail; Nowak, Ulrich; Wolf, Daniel; Lubk, Axel; Polarz, Sebastian

2018-01-01

Semiconductors with native ferromagnetism barely exist and defined nanostructures are almost unknown. This lack impedes the exploration of a new class of materials characterized by a direct combination of effects on the electronic system caused by quantum confinement effects with magnetism. A good example is EuO for which currently no reliable routes for nanoparticle synthesis can be established. Bottom-up approaches applicable to other oxides fail because of the labile oxidation state +II. Instead of targeting a direct synthesis, the two steps-"structure control" and "chemical transformation"-are separated. The generation of a transitional, hybrid nanophase is followed by its conversion into EuO under full conservation of all morphological features. Hierarchical EuO materials are now accessible in the shape of oriented nanodisks stacked to tubular particles. Magnetically, the coupling of either vortex or onion states has been found. An unexpected temperature dependence is governed by thermally activated transitions between these states. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The nature of photoinduced phase transition and metastable states in vanadium dioxide

PubMed Central

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

2016-01-01

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium. PMID:27982066

The nature of photoinduced phase transition and metastable states in vanadium dioxide

NASA Astrophysics Data System (ADS)

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

2016-12-01

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.

Coherent Control to Prepare an InAs Quantum Dot for Spin-Photon Entanglement

NASA Astrophysics Data System (ADS)

Webster, L. A.; Truex, K.; Duan, L.-M.; Steel, D. G.; Bracker, A. S.; Gammon, D.; Sham, L. J.

2014-03-01

We optically generated an electronic state in a single InAs /GaAs self-assembled quantum dot that is a precursor to the deterministic entanglement of the spin of the electron with an emitted photon in the proposal of W. Yao, R.-B. Liu, and L. J. Sham [Phys. Rev. Lett. 95, 030504 (2005).]. A superposition state is prepared by optical pumping to a pure state followed by an initial pulse. By modulating the subsequent pulse arrival times and precisely controlling them using interferometric measurement of path length differences, we are able to implement a coherent control technique to selectively drive exactly one of the two components of the superposition to the ground state. This optical transition contingent on spin was driven with the same broadband pulses that created the superposition through the use of a two pulse coherent control sequence. A final pulse affords measurement of the coherence of this "preentangled" state.

Interneuron-mediated inhibition synchronizes neuronal activity during slow oscillation.

PubMed

Chen, Jen-Yung; Chauvette, Sylvain; Skorheim, Steven; Timofeev, Igor; Bazhenov, Maxim

2012-08-15

The signature of slow-wave sleep in the electroencephalogram (EEG) is large-amplitude fluctuation of the field potential, which reflects synchronous alternation of activity and silence across cortical neurons. While initiation of the active cortical states during sleep slow oscillation has been intensively studied, the biological mechanisms which drive the network transition from an active state to silence remain poorly understood. In the current study, using a combination of in vivo electrophysiology and thalamocortical network simulation, we explored the impact of intrinsic and synaptic inhibition on state transition during sleep slow oscillation. We found that in normal physiological conditions, synaptic inhibition controls the duration and the synchrony of active state termination. The decline of interneuron-mediated inhibition led to asynchronous downward transition across the cortical network and broke the regular slow oscillation pattern. Furthermore, in both in vivo experiment and computational modelling, we revealed that when the level of synaptic inhibition was reduced significantly, it led to a recovery of synchronized oscillations in the form of seizure-like bursting activity. In this condition, the fast active state termination was mediated by intrinsic hyperpolarizing conductances. Our study highlights the significance of both intrinsic and synaptic inhibition in manipulating sleep slow rhythms.

Interneuron-mediated inhibition synchronizes neuronal activity during slow oscillation

PubMed Central

Chen, Jen-Yung; Chauvette, Sylvain; Skorheim, Steven; Timofeev, Igor; Bazhenov, Maxim

2012-01-01

The signature of slow-wave sleep in the electroencephalogram (EEG) is large-amplitude fluctuation of the field potential, which reflects synchronous alternation of activity and silence across cortical neurons. While initiation of the active cortical states during sleep slow oscillation has been intensively studied, the biological mechanisms which drive the network transition from an active state to silence remain poorly understood. In the current study, using a combination of in vivo electrophysiology and thalamocortical network simulation, we explored the impact of intrinsic and synaptic inhibition on state transition during sleep slow oscillation. We found that in normal physiological conditions, synaptic inhibition controls the duration and the synchrony of active state termination. The decline of interneuron-mediated inhibition led to asynchronous downward transition across the cortical network and broke the regular slow oscillation pattern. Furthermore, in both in vivo experiment and computational modelling, we revealed that when the level of synaptic inhibition was reduced significantly, it led to a recovery of synchronized oscillations in the form of seizure-like bursting activity. In this condition, the fast active state termination was mediated by intrinsic hyperpolarizing conductances. Our study highlights the significance of both intrinsic and synaptic inhibition in manipulating sleep slow rhythms. PMID:22641778

Creating fractional quantum Hall states with atomic clusters using light-assisted insertion of angular momentum

NASA Astrophysics Data System (ADS)

Zhang, Junyi; Beugnon, Jerome; Nascimbene, Sylvain

We describe a protocol to prepare clusters of ultracold bosonic atoms in strongly interacting states reminiscent of fractional quantum Hall states. Our scheme consists in injecting a controlled amount of angular momentum to an atomic gas using Raman transitions carrying orbital angular momentum. By injecting one unit of angular momentum per atom, one realizes a single-vortex state, which is well described by mean-field theory for large enough particle numbers. We also present schemes to realize fractional quantum Hall states, namely, the bosonic Laughlin and Moore-Read states. We investigate the requirements for adiabatic nucleation of such topological states, in particular comparing linear Landau-Zener ramps and arbitrary ramps obtained from optimized control methods. We also show that this protocol requires excellent control over the isotropic character of the trapping potential. ERC-Synergy Grant UQUAM, ANR-10-IDEX-0001-02, DIM NanoK Atocirc project.

Physical origins of current and temperature controlled negative differential resistances in NbO 2

DOE PAGES

Kumar, Suhas; Wang, Ziwen; Davila, Noraica; ...

2017-09-22

Negative differential resistance behavior in oxide memristors, especially those using NbO 2, is gaining renewed interest because of its potential utility in neuromorphic computing. However, there has been a decade-long controversy over whether the negative differential resistance is caused by a relatively low-temperature non-linear transport mechanism or a high-temperature Mott transition. Resolving this issue will enable consistent and robust predictive modeling of this phenomenon for different applications. Here in this paper, we examine NbO 2 memristors that exhibit both a current-controlled and a temperature-controlled negative differential resistance. Through thermal and chemical spectromicroscopy and numerical simulations, we confirm that the formermore » is caused by a ~400 K non-linear-transport-driven instability and the latter is caused by the ~1000 K Mott metal-insulator transition, for which the thermal conductance counter-intuitively decreases in the metallic state relative to the insulating state.« less

Strain-Engineered Oxygen Vacancies in CaMnO3 Thin Films.

PubMed

Chandrasena, Ravini U; Yang, Weibing; Lei, Qingyu; Delgado-Jaime, Mario U; Wijesekara, Kanishka D; Golalikhani, Maryam; Davidson, Bruce A; Arenholz, Elke; Kobayashi, Keisuke; Kobata, Masaaki; de Groot, Frank M F; Aschauer, Ulrich; Spaldin, Nicola A; Xi, Xiaoxing; Gray, Alexander X

2017-02-08

We demonstrate a novel pathway to control and stabilize oxygen vacancies in complex transition-metal oxide thin films. Using atomic layer-by-layer pulsed laser deposition (PLD) from two separate targets, we synthesize high-quality single-crystalline CaMnO 3 films with systematically varying oxygen vacancy defect formation energies as controlled by coherent tensile strain. The systematic increase of the oxygen vacancy content in CaMnO 3 as a function of applied in-plane strain is observed and confirmed experimentally using high-resolution soft X-ray absorption spectroscopy (XAS) in conjunction with bulk-sensitive hard X-ray photoemission spectroscopy (HAXPES). The relevant defect states in the densities of states are identified and the vacancy content in the films quantified using the combination of first-principles theory and core-hole multiplet calculations with holistic fitting. Our findings open up a promising avenue for designing and controlling new ionically active properties and functionalities of complex transition-metal oxides via strain-induced oxygen-vacancy formation and ordering.

Physical origins of current and temperature controlled negative differential resistances in NbO 2

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

Kumar, Suhas; Wang, Ziwen; Davila, Noraica

Negative differential resistance behavior in oxide memristors, especially those using NbO 2, is gaining renewed interest because of its potential utility in neuromorphic computing. However, there has been a decade-long controversy over whether the negative differential resistance is caused by a relatively low-temperature non-linear transport mechanism or a high-temperature Mott transition. Resolving this issue will enable consistent and robust predictive modeling of this phenomenon for different applications. Here in this paper, we examine NbO 2 memristors that exhibit both a current-controlled and a temperature-controlled negative differential resistance. Through thermal and chemical spectromicroscopy and numerical simulations, we confirm that the formermore » is caused by a ~400 K non-linear-transport-driven instability and the latter is caused by the ~1000 K Mott metal-insulator transition, for which the thermal conductance counter-intuitively decreases in the metallic state relative to the insulating state.« less

Dynamic Functional Connectivity States Reflecting Psychotic-like Experiences.

PubMed

Barber, Anita D; Lindquist, Martin A; DeRosse, Pamela; Karlsgodt, Katherine H

2018-05-01

Psychotic-like experiences (PLEs) are associated with lower social and occupational functioning, and lower executive function. Emerging evidence also suggests that PLEs reflect neural dysfunction resembling that of psychotic disorders. The present study examined dynamic connectivity related to a measure of PLEs derived from the Achenbach Adult Self-Report, in an otherwise-healthy sample of adults from the Human Connectome Project. A total of 76 PLE-endorsing and 153 control participants were included in the final sample. To characterize network dysfunction, dynamic connectivity states were examined across large-scale resting-state networks using dynamic conditional correlation and k-means clustering. Three dynamic states were identified. The PLE-endorsing group spent more time than the control group in state 1, a state reflecting hyperconnectivity within visual regions and hypoconnectivity within the default mode network, and less time in state 2, a state characterized by robust within-network connectivity for all networks and strong default mode network anticorrelations. Within the PLE-endorsing group, worse executive function was associated with more time spent in and more transitions into state 1 and less time spent in and fewer transitions into state 3. PLEs are associated with altered large-scale brain dynamics, which tip the system away from spending more time in states reflecting more "typical" connectivity patterns toward more time in states reflecting visual hyperconnectivity and default mode hypoconnectivity. Copyright © 2017 Society of Biological Psychiatry. Published by Elsevier Inc. All rights reserved.

Functional characteristics of a double positive feedback loop coupled with autorepression

NASA Astrophysics Data System (ADS)

Banerjee, Subhasis; Bose, Indrani

2008-12-01

We study the functional characteristics of a two-gene motif consisting of a double positive feedback loop and an autoregulatory negative feedback loop. The motif appears in the gene regulatory network controlling the functional activity of pancreatic β-cells. The model exhibits bistability and hysteresis in appropriate parameter regions. The two stable steady states correspond to low (OFF state) and high (ON state) protein levels, respectively. Using a deterministic approach, we show that the region of bistability increases in extent when the copy number of one of the genes is reduced from 2 to 1. The negative feedback loop has the effect of reducing the size of the bistable region. Loss of a gene copy, brought about by mutations, hampers the normal functioning of the β-cells giving rise to the genetic disorder, maturity-onset diabetes of the young (MODY). The diabetic phenotype makes its appearance when a sizable fraction of the β-cells is in the OFF state. Using stochastic simulation techniques we show that, on reduction of the gene copy number, there is a transition from the monostable ON to the ON state in the bistable region of the parameter space. Fluctuations in the protein levels, arising due to the stochastic nature of gene expression, can give rise to transitions between the ON and OFF states. We show that as the strength of autorepression increases, the ON → OFF state transitions become less probable whereas the reverse transitions are more probable. The implications of the results in the context of the occurrence of MODY are pointed out.

Characterization of pH-sensitive molecular switches that trigger the structural transition of vesicular stomatitis virus glycoprotein from the postfusion state toward the prefusion state.

PubMed

Ferlin, Anna; Raux, Hélène; Baquero, Eduard; Lepault, Jean; Gaudin, Yves

2014-11-01

Vesicular stomatitis virus (VSV; the prototype rhabdovirus) fusion is triggered at low pH and mediated by glycoprotein G, which undergoes a low-pH-induced structural transition. A unique feature of rhabdovirus G is that its conformational change is reversible. This allows G to recover its native prefusion state at the viral surface after its transport through the acidic Golgi compartments. The crystal structures of G pre- and postfusion states have been elucidated, leading to the identification of several acidic amino acid residues, clustered in the postfusion trimer, as potential pH-sensitive switches controlling the transition back toward the prefusion state. We mutated these residues and produced a panel of single and double mutants whose fusion properties, conformational change characteristics, and ability to pseudotype a virus lacking the glycoprotein gene were assayed. Some of these mutations were also introduced in the genome of recombinant viruses which were further characterized. We show that D268, located in the segment consisting of residues 264 to 273, which refolds into postfusion helix F during G structural transition, is the major pH sensor while D274, D395, and D393 have additional contributions. Furthermore, a single passage of recombinant virus bearing the mutation D268L (which was demonstrated to stabilize the G postfusion state) resulted in a pseudorevertant with a compensatory second mutation, L271P. This revealed that the propensity of the segment of residues 264 to 273 to refold into helix F has to be finely tuned since either an increase (mutation D268L alone) or a decrease (mutation L271P alone) of this propensity is detrimental to the virus. Vesicular stomatitis virus enters cells via endocytosis. Endosome acidification induces a structural transition of its unique glycoprotein (G), which mediates fusion between viral and endosomal membranes. G conformational change is reversible upon increases in pH. This allows G to recover its native prefusion state at the viral surface after its transport through the acidic Golgi compartments. We mutated five acidic residues, proposed to be pH-sensitive switches controlling the structural transition back toward the prefusion state. Our results indicate that residue D268 is the major pH sensor, while other acidic residues have additional contributions, and reveal that the propensity of the segment consisting of residues 264 to 273 to adopt a helical conformation is finely regulated. This segment might be a good target for antiviral compounds. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

Derivation of sequential, real-time, process-control programs

NASA Technical Reports Server (NTRS)

Marzullo, Keith; Schneider, Fred B.; Budhiraja, Navin

1991-01-01

The use of weakest-precondition predicate transformers in the derivation of sequential, process-control software is discussed. Only one extension to Dijkstra's calculus for deriving ordinary sequential programs was found to be necessary: function-valued auxiliary variables. These auxiliary variables are needed for reasoning about states of a physical process that exists during program transitions.

Mechanism and the origins of stereospecificity in copper-catalyzed ring expansion of vinyl oxiranes: a traceless dual transition-metal-mediated process.

PubMed

Mustard, Thomas J L; Mack, Daniel J; Njardarson, Jon T; Cheong, Paul Ha-Yeon

2013-01-30

Density functional theory computations of the Cu-catalyzed ring expansion of vinyloxiranes is mediated by a traceless dual Cu(I)-catalyst mechanism. Overall, the reaction involves a monomeric Cu(I)-catalyst, but a single key step, the Cu migration, requires two Cu(I)-catalysts for the transformation. This dual-Cu step is found to be a true double Cu(I) transition state rather than a single Cu(I) transition state in the presence of an adventitious, spectator Cu(I). Both Cu(I) catalysts are involved in the bond forming and breaking process. The single Cu(I) transition state is not a stationary point on the potential energy surface. Interestingly, the reductive elimination is rate-determining for the major diastereomeric product, while the Cu(I) migration step is rate-determining for the minor. Thus, while the reaction requires dual Cu(I) activation to proceed, kinetically, the presence of the dual-Cu(I) step is untraceable. The diastereospecificity of this reaction is controlled by the Cu migration step. Suprafacial migration is favored over antarafacial migration due to the distorted Cu π-allyl in the latter.

Advanced Shock Position Control for Mode Transition in a Turbine Based Combined Cycle Engine Inlet Model

NASA Technical Reports Server (NTRS)

Csank, Jeffrey T.; Stueber, Thomas J.

2013-01-01

A dual flow-path inlet system is being tested to evaluate methodologies for a Turbine Based Combined Cycle (TBCC) propulsion system to perform a controlled inlet mode transition. Prior to experimental testing, simulation models are used to test, debug, and validate potential control algorithms. One simulation package being used for testing is the High Mach Transient Engine Cycle Code simulation, known as HiTECC. This paper discusses the closed loop control system, which utilizes a shock location sensor to improve inlet performance and operability. Even though the shock location feedback has a coarse resolution, the feedback allows for a reduction in steady state error and, in some cases, better performance than with previous proposed pressure ratio based methods. This paper demonstrates the design and benefit with the implementation of a proportional-integral controller, an H-Infinity based controller, and a disturbance observer based controller.

Highly tunable charge and spin transport in silicene junctions: phase transitions and half-metallic states.

PubMed

Mahdavifar, Maryam; Khoeini, Farhad

2018-08-10

We report peculiar charge and spin transport properties in S-shaped silicene junctions with the Kane-Mele tight-binding model. In this work, we investigate the effects of electric and exchange fields on the charge and spin transport properties. Our results show that by applying a perpendicular electric field, metal-semiconductor and also semimetal-semiconductor phase transitions occur in our systems. Furthermore, full spin current can be obtained in the structures, so the half-metallic states are observable. Our results enable us to control charge and spin currents and provide new opportunities and applications in silicene-based electronics, optoelectronics, and spintronics.

Pressure-decoupled magnetic and structural transitions of the parent compound of iron-based 122 superconductors BaFe2As2

PubMed Central

Wu, J. J.; Lin, Jung-Fu; Wang, X. C.; Liu, Q. Q.; Zhu, J. L.; Xiao, Y. M.; Chow, P.; Jin, Changqing

2013-01-01

The recent discovery of iron ferropnictide superconductors has received intensive concern in connection with magnetically involved superconductors. Prominent features of ferropnictide superconductors are becoming apparent: the parent compounds exhibit an antiferromagnetic ordered spin density wave (SDW) state, the magnetic-phase transition is always accompanied by a crystal structural transition, and superconductivity can be induced by suppressing the SDW phase via either chemical doping or applied external pressure to the parent state. These features generated considerable interest in the interplay between magnetism and structure in chemically doped samples, showing crystal structure transitions always precede or coincide with magnetic transition. Pressure-tuned transition, on the other hand, would be more straightforward to superconducting mechanism studies because there are no disorder effects caused by chemical doping; however, remarkably little is known about the interplay in the parent compounds under controlled pressure due to the experimental challenge of in situ measuring both of magnetic and crystal structure evolution at high pressure and low temperatures. Here we show from combined synchrotron Mössbauer and X-ray diffraction at high pressures that the magnetic ordering surprisingly precedes the structural transition at high pressures in the parent compound BaFe2As2, in sharp contrast to the chemical-doping case. The results can be well understood in terms of the spin fluctuations in the emerging nematic phase before the long-range magnetic order that sheds light on understanding how the parent compound evolves from a SDW state to a superconducting phase, a key scientific inquiry of iron-based superconductors. PMID:24101468

Structural Changes Fundamental to Gating of the Cystic Fibrosis Transmembrane Conductance Regulator Anion Channel Pore.

PubMed

Linsdell, Paul

2017-01-01

Cystic fibrosis is caused by mutations in the cystic fibrosis transmembrane conductance regulator (CFTR), an epithelial cell anion channel. Potentiator drugs used in the treatment of cystic fibrosis act on the channel to increase overall channel function, by increasing the stability of its open state and/or decreasing the stability of its closed state. The structure of the channel in either the open state or the closed state is not currently known. However, changes in the conformation of the protein as it transitions between these two states have been studied using functional investigation and molecular modeling techniques. This review summarizes our current understanding of the architecture of the transmembrane channel pore that controls the movement of chloride and other small anions, both in the open state and in the closed state. Evidence for different kinds of changes in the conformation of the pore as it transitions between open and closed states is described, as well as the mechanisms by which these conformational changes might be controlled to regulate normal channel gating. The ways that key conformational changes might be targeted by small compounds to influence overall CFTR activity are also discussed. Understanding the changes in pore structure that might be manipulated by such small compounds is key to the development of novel therapeutic strategies for the treatment of cystic fibrosis.

Preventive and Abortive Strategies for Stimulation Based Control of Epilepsy: A Computational Model Study.

PubMed

Koppert, Marc; Kalitzin, Stiliyan; Velis, Demetrios; Lopes Da Silva, Fernando; Viergever, Max A

2016-12-01

Epilepsy is a condition in which periods of ongoing normal EEG activity alternate with periods of oscillatory behavior characteristic of epileptic seizures. The dynamics of the transitions between the two states are still unclear. Computational models provide a powerful tool to explore the underlying mechanisms of such transitions, with the purpose of eventually finding therapeutic interventions for this debilitating condition. In this study, the possibility to postpone seizures elicited by a decrease of inhibition is investigated by using external stimulation in a realistic bistable neuronal model consisting of two interconnected neuronal populations representing pyramidal cells and interneurons. In the simulations, seizures are induced by slowly decreasing the conductivity of GABA[Formula: see text] synaptic channels over time. Since the model is bistable, the system will change state from the initial steady state (SS) to the limit cycle (LS) state because of internal noise, when the inhibition falls below a certain threshold. Several state-independent stimulations paradigms are simulated. Their effectiveness is analyzed for various stimulation frequencies and intensities in combination with periodic and random stimulation sequences. The distributions of the time to first seizure in the presence of stimulation are compared with the situation without stimulation. In addition, stimulation protocols targeted to specific subsystems are applied with the objective of counteracting the baseline shift due to decreased inhibition in the system. Furthermore, an analytical model is used to investigate the effects of random noise. The relation between the strength of random noise stimulation, the control parameter of the system and the transitions between steady state and limit cycle are investigated. The study shows that it is possible to postpone epileptic activity by targeted stimulation in a realistic neuronal model featuring bistability and that it is possible to stop seizures by random noise in an analytical model.

BRD4 mediates NF-κB-dependent epithelial-mesenchymal transition and pulmonary fibrosis via transcriptional elongation

PubMed Central

Zhao, Yingxin; Sun, Hong; Zhang, Yueqing; Yang, Jun; Brasier, Allan R.

2016-01-01

Chronic epithelial injury triggers a TGF-β-mediated cellular transition from normal epithelium into a mesenchymal-like state that produces subepithelial fibrosis and airway remodeling. Here we examined how TGF-β induces the mesenchymal cell state and determined its mechanism. We observed that TGF-β stimulation activates an inflammatory gene program controlled by the NF-κB/RelA signaling pathway. In the mesenchymal state, NF-κB-dependent immediate-early genes accumulate euchromatin marks and processive RNA polymerase. This program of immediate-early genes is activated by enhanced expression, nuclear translocation, and activating phosphorylation of the NF-κB/RelA transcription factor on Ser276, mediated by a paracrine signal. Phospho-Ser276 RelA binds to the BRD4/CDK9 transcriptional elongation complex, activating the paused RNA Pol II by phosphorylation on Ser2 in its carboxy-terminal domain. RelA-initiated transcriptional elongation is required for expression of the core epithelial-mesenchymal transition transcriptional regulators SNAI1, TWIST1, and ZEB1 and mesenchymal genes. Finally, we observed that pharmacological inhibition of BRD4 can attenuate experimental lung fibrosis induced by repetitive TGF-β challenge in a mouse model. These data provide a detailed mechanism for how activated NF-κB and BRD4 control epithelial-mesenchymal transition initiation and transcriptional elongation in model airway epithelial cells in vitro and in a murine pulmonary fibrosis model in vivo. Our data validate BRD4 as an in vivo target for the treatment of pulmonary fibrosis associated with inflammation-coupled remodeling in chronic lung diseases. PMID:27793799

Investigation into the behaviors of ventilated supercavities in unsteady flow

NASA Astrophysics Data System (ADS)

Shao, Siyao; Wu, Yue; Haynes, Joseph; Arndt, Roger E. A.; Hong, Jiarong

2018-05-01

A systematic investigation of ventilated supercavitation behaviors in an unsteady flow is conducted using a high-speed water tunnel at the Saint Anthony Falls Laboratory. The cavity is generated with a forward facing model under varying ventilation rates and cavitator sizes. The unsteady flow is produced by a gust generator consisting of two hydrofoils flapping in unison with a varying angle of attack (AoA) and frequency (fg). The current experiment reveals five distinct cavity states, namely, the stable state, wavy state, pulsating state I, pulsating state II, and collapsing state, based on the variation of cavity geometry and pressure signatures inside the cavity. The distribution of cavity states over a broad range of unsteady conditions is summarized in a cavity state map. It shows that the transition of the supercavity from the stable state to pulsating and collapsing states is primarily induced by increasing AoA while the transition to the wavy state triggers largely by increasing fg. Remarkably, the state map over the non-dimensionalized half wavelength and wave amplitude of the perturbation indicates that the supercavity loses its stability and transitions to pulsating or collapsing states when the level of its distortion induced by the flow unsteadiness exceeds the cavity dimension under a steady condition. The state maps under different ventilation rates and cavitator sizes yield similar distribution but show that the occurrence of the cavity collapse can be suppressed with increasing ventilation coefficient or cavitator size. Such knowledge can be integrated into designing control strategies for the supercavitating devices operating under different unsteady conditions.

Comparative study of flare control laws. [optimal control of b-737 aircraft approach and landing

NASA Technical Reports Server (NTRS)

Nadkarni, A. A.; Breedlove, W. J., Jr.

1979-01-01

A digital 3-D automatic control law was developed to achieve an optimal transition of a B-737 aircraft between various initial glid slope conditions and the desired final touchdown condition. A discrete, time-invariant, optimal, closed-loop control law presented for a linear regulator problem, was extended to include a system being acted upon by a constant disturbance. Two forms of control laws were derived to solve this problem. One method utilized the feedback of integral states defined appropriately and augmented with the original system equations. The second method formulated the problem as a control variable constraint, and the control variables were augmented with the original system. The control variable constraint control law yielded a better performance compared to feedback control law for the integral states chosen.

Vacuum-induced Autler-Townes splitting in a superconducting artificial atom

NASA Astrophysics Data System (ADS)

Peng, Z. H.; Ding, J. H.; Zhou, Y.; Ying, L. L.; Wang, Z.; Zhou, L.; Kuang, L. M.; Liu, Yu-xi; Astafiev, O. V.; Tsai, J. S.

2018-06-01

We experimentally study a vacuum-induced Autler-Townes doublet in a superconducting three-level artificial atom strongly coupled to a coplanar waveguide resonator and simultaneously to a transmission line. The Autler-Townes splitting is observed in the reflection spectrum from the three-level atom in a transition between the ground state and the second excited state when the transition between the two excited states is resonant with a resonator. By applying a driving field to the resonator, we observe a change in the regime of the Autler-Townes splitting from quantum (vacuum-induced) to classical (with many resonator photons). Furthermore, we show that the reflection of propagating microwaves in a transmission line could be controlled by different frequency microwave fields at the single-photon level in a resonator.

Gain control through divisive inhibition prevents abrupt transition to chaos in a neural mass model.

PubMed

Papasavvas, Christoforos A; Wang, Yujiang; Trevelyan, Andrew J; Kaiser, Marcus

2015-09-01

Experimental results suggest that there are two distinct mechanisms of inhibition in cortical neuronal networks: subtractive and divisive inhibition. They modulate the input-output function of their target neurons either by increasing the input that is needed to reach maximum output or by reducing the gain and the value of maximum output itself, respectively. However, the role of these mechanisms on the dynamics of the network is poorly understood. We introduce a novel population model and numerically investigate the influence of divisive inhibition on network dynamics. Specifically, we focus on the transitions from a state of regular oscillations to a state of chaotic dynamics via period-doubling bifurcations. The model with divisive inhibition exhibits a universal transition rate to chaos (Feigenbaum behavior). In contrast, in an equivalent model without divisive inhibition, transition rates to chaos are not bounded by the universal constant (non-Feigenbaum behavior). This non-Feigenbaum behavior, when only subtractive inhibition is present, is linked to the interaction of bifurcation curves in the parameter space. Indeed, searching the parameter space showed that such interactions are impossible when divisive inhibition is included. Therefore, divisive inhibition prevents non-Feigenbaum behavior and, consequently, any abrupt transition to chaos. The results suggest that the divisive inhibition in neuronal networks could play a crucial role in keeping the states of order and chaos well separated and in preventing the onset of pathological neural dynamics.

Alignment, vibronic level splitting, and coherent coupling effects on the pump-probe polarization anisotropy.

PubMed

Smith, Eric R; Jonas, David M

2011-04-28

The pump-probe polarization anisotropy is computed for molecules with a nondegenerate ground state, two degenerate or nearly degenerate excited states with perpendicular transition dipoles, and no resonant excited-state absorption. Including finite pulse effects, the initial polarization anisotropy at zero pump-probe delay is predicted to be r(0) = 3/10 with coherent excitation. During pulse overlap, it is shown that the four-wave mixing classification of signal pathways as ground or excited state is not useful for pump-probe signals. Therefore, a reclassification useful for pump-probe experiments is proposed, and the coherent anisotropy is discussed in terms of a more general transition dipole and molecular axis alignment instead of experiment-dependent ground- versus excited-state pathways. Although coherent excitation enhances alignment of the transition dipole, the molecular axes are less aligned than for a single dipole transition, lowering the initial anisotropy. As the splitting between excited states increases beyond the laser bandwidth and absorption line width, the initial anisotropy increases from 3/10 to 4/10. Asymmetric vibrational coordinates that lift the degeneracy control the electronic energy gap and off-diagonal coupling between electronic states. These vibrations dephase coherence and equilibrate the populations of the (nearly) degenerate states, causing the anisotropy to decay (possibly with oscillations) to 1/10. Small amounts of asymmetric inhomogeneity (2 cm(-1)) cause rapid (130 fs) suppression of both vibrational and electronic anisotropy beats on the excited state, but not vibrational beats on the ground electronic state. Recent measurements of conical intersection dynamics in a silicon napthalocyanine revealed anisotropic quantum beats that had to be assigned to asymmetric vibrations on the ground electronic state only [Farrow, D. A.; J. Chem. Phys. 2008, 128, 144510]. Small environmental asymmetries likely explain the observed absence of excited-state asymmetric vibrations in those experiments.

Chemical reactions induced by oscillating external fields in weak thermal environments

NASA Astrophysics Data System (ADS)

Craven, Galen T.; Bartsch, Thomas; Hernandez, Rigoberto

2015-02-01

Chemical reaction rates must increasingly be determined in systems that evolve under the control of external stimuli. In these systems, when a reactant population is induced to cross an energy barrier through forcing from a temporally varying external field, the transition state that the reaction must pass through during the transformation from reactant to product is no longer a fixed geometric structure, but is instead time-dependent. For a periodically forced model reaction, we develop a recrossing-free dividing surface that is attached to a transition state trajectory [T. Bartsch, R. Hernandez, and T. Uzer, Phys. Rev. Lett. 95, 058301 (2005)]. We have previously shown that for single-mode sinusoidal driving, the stability of the time-varying transition state directly determines the reaction rate [G. T. Craven, T. Bartsch, and R. Hernandez, J. Chem. Phys. 141, 041106 (2014)]. Here, we extend our previous work to the case of multi-mode driving waveforms. Excellent agreement is observed between the rates predicted by stability analysis and rates obtained through numerical calculation of the reactive flux. We also show that the optimal dividing surface and the resulting reaction rate for a reactive system driven by weak thermal noise can be approximated well using the transition state geometry of the underlying deterministic system. This agreement persists as long as the thermal driving strength is less than the order of that of the periodic driving. The power of this result is its simplicity. The surprising accuracy of the time-dependent noise-free geometry for obtaining transition state theory rates in chemical reactions driven by periodic fields reveals the dynamics without requiring the cost of brute-force calculations.

Insulator-semimetallic transition in quasi-1D charged impurity-infected armchair boron-nitride nanoribbons

NASA Astrophysics Data System (ADS)

Dinh Hoi, Bui; Yarmohammadi, Mohsen

2018-04-01

We address control of electronic phase transition in charged impurity-infected armchair-edged boron-nitride nanoribbons (ABNNRs) with the local variation of Fermi energy. In particular, the density of states of disordered ribbons produces the main features in the context of pretty simple tight-binding model and Green's functions approach. To this end, the Born approximation has been implemented to find the effect of π-band electron-impurity interactions. A modulation of the π-band depending on the impurity concentrations and scattering potentials leads to the phase transition from insulator to semimetallic. We present here a detailed physical meaning of this transition by studying the treatment of massive Dirac fermions. From our findings, it is found that the ribbon width plays a crucial role in determining the electronic phase of disordered ABNNRs. The obtained results in controllable gap engineering are useful for future experiments. Also, the observations in this study have also fueled interest in the electronic properties of other 2D materials.

Multi-state succession in wetlands: a novel use of state and transition models

USGS Publications Warehouse

Zweig, Christa L.; Kitchens, Wiley M.

2009-01-01

The complexity of ecosystems and mechanisms of succession are often simplified by linear and mathematical models used to understand and predict system behavior. Such models often do not incorporate multivariate, nonlinear feedbacks in pattern and process that include multiple scales of organization inherent within real-world systems. Wetlands are ecosystems with unique, nonlinear patterns of succession due to the regular, but often inconstant, presence of water on the landscape. We develop a general, nonspatial state and transition (S and T) succession conceptual model for wetlands and apply the general framework by creating annotated succession/management models and hypotheses for use in impact analysis on a portion of an imperiled wetland. The S and T models for our study area, Water Conservation Area 3A South (WCA3), Florida, USA, included hydrologic and peat depth values from multivariate analyses and classification and regression trees. We used the freeware Vegetation Dynamics Development Tool as an exploratory application to evaluate our S and T models with different management actions (equal chance [a control condition], deeper conditions, dry conditions, and increased hydrologic range) for three communities: slough, sawgrass (Cladium jamaicense), and wet prairie. Deeper conditions and increased hydrologic range behaved similarly, with the transition of community states to deeper states, particularly for sawgrass and slough. Hydrology is the primary mechanism for multi-state transitions within our study period, and we show both an immediate and lagged effect on vegetation, depending on community state. We consider these S and T succession models as a fraction of the framework for the Everglades. They are hypotheses for use in adaptive management, represent the community response to hydrology, and illustrate which aspects of hydrologic variability are important to community structure. We intend for these models to act as a foundation for further restoration management and experimentation which will refine transition and threshold concepts. 

Parameter optimization on the convergence surface of path simulations

NASA Astrophysics Data System (ADS)

Chandrasekaran, Srinivas Niranj

Computational treatments of protein conformational changes tend to focus on the trajectories themselves, despite the fact that it is the transition state structures that contain information about the barriers that impose multi-state behavior. PATH is an algorithm that computes a transition pathway between two protein crystal structures, along with the transition state structure, by minimizing the Onsager-Machlup action functional. It is rapid but depends on several unknown input parameters whose range of different values can potentially generate different transition-state structures. Transition-state structures arising from different input parameters cannot be uniquely compared with those generated by other methods. I outline modifications that I have made to the PATH algorithm that estimates these input parameters in a manner that circumvents these difficulties, and describe two complementary tests that validate the transition-state structures found by the PATH algorithm. First, I show that although the PATH algorithm and two other approaches to computing transition pathways produce different low-energy structures connecting the initial and final ground-states with the transition state, all three methods agree closely on the configurations of their transition states. Second, I show that the PATH transition states are close to the saddle points of free-energy surfaces connecting initial and final states generated by replica-exchange Discrete Molecular Dynamics simulations. I show that aromatic side-chain rearrangements create similar potential energy barriers in the transition-state structures identified by PATH for a signaling protein, a contractile protein, and an enzyme. Finally, I observed, but cannot account for, the fact that trajectories obtained for all-atom and Calpha-only simulations identify transition state structures in which the Calpha atoms are in essentially the same positions. The consistency between transition-state structures derived by different algorithms for unrelated protein systems argues that although functionally important protein conformational change trajectories are to a degree stochastic, they nonetheless pass through a well-defined transition state whose detailed structural properties can rapidly be identified using PATH. In the end, I outline the strategies that could enhance the efficiency and applicability of PATH.

Heterogeneous recurrence monitoring and control of nonlinear stochastic processes

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

Yang, Hui, E-mail: huiyang@usf.edu; Chen, Yun

Recurrence is one of the most common phenomena in natural and engineering systems. Process monitoring of dynamic transitions in nonlinear and nonstationary systems is more concerned with aperiodic recurrences and recurrence variations. However, little has been done to investigate the heterogeneous recurrence variations and link with the objectives of process monitoring and anomaly detection. Notably, nonlinear recurrence methodologies are based on homogeneous recurrences, which treat all recurrence states in the same way as black dots, and non-recurrence is white in recurrence plots. Heterogeneous recurrences are more concerned about the variations of recurrence states in terms of state properties (e.g., valuesmore » and relative locations) and the evolving dynamics (e.g., sequential state transitions). This paper presents a novel approach of heterogeneous recurrence analysis that utilizes a new fractal representation to delineate heterogeneous recurrence states in multiple scales, including the recurrences of both single states and multi-state sequences. Further, we developed a new set of heterogeneous recurrence quantifiers that are extracted from fractal representation in the transformed space. To that end, we integrated multivariate statistical control charts with heterogeneous recurrence analysis to simultaneously monitor two or more related quantifiers. Experimental results on nonlinear stochastic processes show that the proposed approach not only captures heterogeneous recurrence patterns in the fractal representation but also effectively monitors the changes in the dynamics of a complex system.« less

Configurations and hindered decays of K isomers in deformed nuclei with A > 100

NASA Astrophysics Data System (ADS)

Kondev, F. G.; Dracoulis, G. D.; Kibédi, T.

2015-05-01

Spectroscopic information on the decay properties of high- K isomers in deformed and transitional nuclei has been evaluated and collated. Assigned multi-quasiparticle configurations are included. Factors that control the transitions strengths, such as various contributions to K mixing, are outlined. The systematics of K-forbidden transitions for different multipolarities are discussed for selected cases in terms of the hindrances, FW, and of the reduced hindrance factor per degree of K forbiddenness, fν, where ν = | ΔK - λ | , ΔK is the K-value difference between the initial and final state and λ is the transition multipole order. With the improved statistics for E 1, M 1 and E 2 transitions, a factorization into the product of the underlying multipolarity-dependent transition strength and a ν-dependence, due to K forbiddenness (f0), is possible. This suggests a weaker dependence on K forbiddenness than is commonly assumed.

Indirect and Direct Relationships between Self-Regulation and Academic Achievement during the Nursery/Elementary School Transition of French Students

ERIC Educational Resources Information Center

Hubert, Blandine; Guimard, Philippe; Florin, Agnès; Tracy, Alexis

2015-01-01

Research Findings: Several recent studies carried out in the United States and abroad (i.e., Asia and Europe) have demonstrated that the ability of young children to regulate their behavior (including inhibitory control, working memory, attentional control) significantly predicts their academic achievement. The current study examined the…

Stabilized 1762 nm Laser for Barium Ion Qubit Readout via Adiabatic Passage

NASA Astrophysics Data System (ADS)

Salacka, Joanna

2008-05-01

Trapped ions are one of the most promising candidates for the implementation of quantum computation. We are trapping single ions of Ba^137 to serve as our qubit, because the hyperfine structure of its ground state and its various visible-wavelength transitions make it favorable for quantum computation. The two hyperfine ground levels will serve as our |1> and |0> qubit states. The readout of the qubit will be accomplished by first selectively shelving the ion directly to the metastable 5D5/2 state using a 1762 nm narrow band fiber laser. Next, the cooling and repumping lasers are turned on and the fluorescence of the ion is measured. Since the 5D5/2 state is decoupled from the laser cooling transitions, the ion will remain dark when shelved. Thus if fluorescence is seen we know that the qubit was in the |0> state, and if no fluorescence is seen it was in the |1> state. The laser is actively stabilized to a temperature-controlled, high-finesse 1.76 um Zerodur optical cavity. The shelving to the 5D5/2 state is most efficiently achieved with adiabatic passage, which requires a smooth scan of the laser frequency across the transition resonance. To accomplish this, the laser frequency is modulated by an AOM driven by a smooth frequency sweep of adjustable amplitude and duration.

Exact transition probabilities for a linear sweep through a Kramers-Kronig resonance

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

Sun, Chen; Sinitsyn, Nikolai A.

2015-11-19

We consider a localized electronic spin controlled by a circularly polarized optical beam and an external magnetic field. When the frequency of the beam is tuned near an optical resonance with a continuum of higher energy states, effective magnetic fields are induced on the two-level system via the inverse Faraday effect. We explore the process in which the frequency of the beam is made linearly time-dependent so that it sweeps through the optical resonance, starting and ending at the values far away from it. In addition to changes of spin states, Kramers-Kronig relations guarantee that a localized electron can alsomore » escape into a continuum of states. We argue that probabilities of transitions between different possible electronic states after such a sweep of the optical frequency can be found exactly, regardless the shape of the resonance. In conclusion, we also discuss extension of our results to multistate systems.« less

Spin State Control of the Perovskite Rh/Co Oxides

PubMed Central

Terasaki, Ichiro; Shibasaki, Soichiro; Yoshida, Shin; Kobayashi, Wataru

2010-01-01

We show why and how the spin state of transition-metal ions affects the thermoelectric properties of transition-metal oxides by investigating two perovskite-related oxides. In the A-site ordered cobalt oxide Sr3YCo4O10.5, partial substitution of Ca for Sr acts as chemical pressure, which compresses the unit cell volume to drive the spin state crossover, and concomitantly changes the magnetization and thermopower. In the perovskite rhodium oxide LaRhO3, partial substitution of Sr for La acts as hole-doping, and the resistivity and thermopower decrease systematically with the Sr concentration. The thermopower remains large values at high temperatures (>150 μV/K at 800 K), which makes a remarkable contrast to La1−xSrxCoO3. We associate this with the stability of the low spin state of the Rh3+ ions.

Distinct collective states due to trade-off between attractive and repulsive couplings

NASA Astrophysics Data System (ADS)

Sathiyadevi, K.; Chandrasekar, V. K.; Senthilkumar, D. V.; Lakshmanan, M.

2018-03-01

We investigate the effect of repulsive coupling together with an attractive coupling in a network of nonlocally coupled oscillators. To understand the complex interaction between these two couplings we introduce a control parameter in the repulsive coupling which plays a crucial role in inducing distinct complex collective patterns. In particular, we show the emergence of various cluster chimera death states through a dynamically distinct transition route, namely the oscillatory cluster state and coherent oscillation death state as a function of the repulsive coupling in the presence of the attractive coupling. In the oscillatory cluster state, the oscillators in the network are grouped into two distinct dynamical states of homogeneous and inhomogeneous oscillatory states. Further, the network of coupled oscillators follow the same transition route in the entire coupling range. Depending upon distinct coupling ranges, the system displays different number of clusters in the death state and oscillatory state. We also observe that the number of coherent domains in the oscillatory cluster state exponentially decreases with increase in coupling range and obeys a power-law decay. Additionally, we show analytical stability for observed solitary state, synchronized state, and incoherent oscillation death state.

Mechanical induction of transitions into mesenchymal and amoeboid states

NASA Astrophysics Data System (ADS)

Liphardt, Jan

One of the fundamental mysteries of biology lies in the ability of cells to convert from one phenotype to another in response to external control inputs. We have been studying the Epithelial-to-Mesenchymal Transition (EMT), which allows organized assemblies of epithelial cells to scatter into lone mesenchymal cells. EMT is critical for normal development and wound healing, and may be important for cancer metastasis. I'll present recent data on disorganizing mammary epithelial structures. We have used CRISPR to insert fluorescent tags directly into eight EMT-related genes (such as E-cadherin and Vimentin), which allows us to monitor the dynamics of the transition in real time, subject only to delays imposed by fluorophore folding/maturation times. With this information, we can begin to order events in time (temporal resolution 30 minutes), starting with external signal inputs and proceeding through a secession of intracellular changes of gene expression on the path to the mesenchymal state.

The radiative decays of excited states of transition elements located inside and near core-shell nanoparticles

NASA Astrophysics Data System (ADS)

Pukhov, Konstantin K.

2017-12-01

Here we discuss the radiative decays of excited states of transition elements located inside and outside of the subwavelength core-shell nanoparticles embedded in dielectric medium. Based on the quantum mechanics and quantum electrodynamics, the general analytical expressions are derived for the probability of the spontaneous transitions in the luminescent centers (emitter) inside and outside the subwavelength core-shell nanoparticle. Obtained expressions holds for arbitrary orientation of the dipole moment and the principal axes of the quadrupole moment of the emitter with respect to the radius-vector r connecting the center of the emitter with the center of the nanoparticle. They have simple form and show how the spontaneous emission in core-shell NPs can be controlled and engineered due to the dependence of the emission rates on core-shell sizes, radius-vector r and permittivities of the surrounding medium, shell, and core.

Smart Power Infrastructure Demonstration for Energy Reliability and Security (SPIDERS)

DTIC Science & Technology

2012-05-01

protect, and secure the United States and its interests. • AOF is the United States, Alaska, Canada, Mexico, Bahamas, Puerto Rico , and the U.S. Virgin...Criteria (UFC) for Smart Microgrid Cyber design guides for Industrial Control Systems (ICS) Residual systems Operations and Maintenance Operator...Training Sustainment Commercial Transition Cooperation with NIST for microgrid security standards Working with industry associations and

Comparative Controller Design for a Marine Gas Turbine Propulsion Plant

DTIC Science & Technology

1988-09-01

ADDRESS (City State, and ZIP Code) ,onterey, California 93943-5000 Monterey, California 93943-5000 Sa. NAME OF FUNDING/SPONSORING 8b OFFICE SYMBOL 9 ...155 7. A21 MATRIX COEFFICIENT CORRELATION DATA ----------- 156 8. A22 MATRIX COEFFICIENT CORRELATION DATA ----------- 157 9 . A23 MATRIX...Flowchart of VRD Algorithm ----------------------- 29 8. Steady State Convergence Map --------------------- 34 9 . Smoothed Dynamic Transition Map

Motility-Driven Glass and Jamming Transitions in Biological Tissues

NASA Astrophysics Data System (ADS)

Bi, Dapeng; Yang, Xingbo; Marchetti, M. Cristina; Manning, M. Lisa

2016-04-01

Cell motion inside dense tissues governs many biological processes, including embryonic development and cancer metastasis, and recent experiments suggest that these tissues exhibit collective glassy behavior. To make quantitative predictions about glass transitions in tissues, we study a self-propelled Voronoi model that simultaneously captures polarized cell motility and multibody cell-cell interactions in a confluent tissue, where there are no gaps between cells. We demonstrate that the model exhibits a jamming transition from a solidlike state to a fluidlike state that is controlled by three parameters: the single-cell motile speed, the persistence time of single-cell tracks, and a target shape index that characterizes the competition between cell-cell adhesion and cortical tension. In contrast to traditional particulate glasses, we are able to identify an experimentally accessible structural order parameter that specifies the entire jamming surface as a function of model parameters. We demonstrate that a continuum soft glassy rheology model precisely captures this transition in the limit of small persistence times and explain how it fails in the limit of large persistence times. These results provide a framework for understanding the collective solid-to-liquid transitions that have been observed in embryonic development and cancer progression, which may be associated with epithelial-to-mesenchymal transition in these tissues.

Estimation of State Transition Probabilities: A Neural Network Model

NASA Astrophysics Data System (ADS)

Saito, Hiroshi; Takiyama, Ken; Okada, Masato

2015-12-01

Humans and animals can predict future states on the basis of acquired knowledge. This prediction of the state transition is important for choosing the best action, and the prediction is only possible if the state transition probability has already been learned. However, how our brains learn the state transition probability is unknown. Here, we propose a simple algorithm for estimating the state transition probability by utilizing the state prediction error. We analytically and numerically confirmed that our algorithm is able to learn the probability completely with an appropriate learning rate. Furthermore, our learning rule reproduced experimentally reported psychometric functions and neural activities in the lateral intraparietal area in a decision-making task. Thus, our algorithm might describe the manner in which our brains learn state transition probabilities and predict future states.

[Natural history of breast cancer: a systematic review of worldwide randomized controlled trials of mammography screening].

PubMed

Yue, X P; Shi, J F; Mao, A Y; Wang, L; Ma, H M; Chen, L L; Zhu, J; Cheng, X; Dai, M

2017-02-23

Objective: To parameterize the 1-year transition probabilities between different health status of the natural history of breast cancer based on the data of randomized controlled trial of X-ray mammography screening worldwide. Methods: Based on the breast cancer screening randomized controlled trials defined by a mammography screening review from the Cochrane 2013 and the International Agency for Research on Cancer, a systematic review was initiated in PubMed by searching names of the key investigators of the trials, combined with the diseases, screening intervention and outcome indicators. If applicable, all the original cumulative incidence rates were converted into one-year transition rate, using the life-table approach considering time length of follow-up. Results: A total of 23 reports from 9 RCTs were included. The data on transition rate between the healthy status to precancerous lesions was absent. The 1-year transition rate from health to carcinoma in situ was 17.78 to 50.21 per 100 000 persons in the intervention group and 9.16 to 26.84 per 100 000 persons in the control group. Correspondingly, the 1-year transition rate from health to breast cancer (including carcinoma in situ and invasive cancer) were estimated as 143.75 to 316.97 per 100 000 persons in the intervention group, and 141.45 to 288.84 per 100 000 persons in the control group. Furthermore, the transition rate from the healthy status to invasive breast cancer was 159.79 to 264.60 per 100 000 persons in intervention group and 170.12 to 255.33 per 100 000 persons in control group. The transition rate from carcinoma in situ to invasive breast cancer varied among different pathological types. Conclusions: The most common natural history states of reported by the included trials involved the full healthy status, carcinoma in situ and invasive breast cancer. The findings of transition rates between different health statuses will be informative for future model development of natural history studies of breast cancer. Information in relation to breast precancerous lesions still limited and needs to be further addressed.

Characterizing and Differentiating Brain State Dynamics via Hidden Markov Models

PubMed Central

Ou, Jinli; Xie, Li; Jin, Changfeng; Li, Xiang; Zhu, Dajiang; Jiang, Rongxin; Chen, Yaowu

2014-01-01

Functional connectivity measured from resting state fMRI (R-fMRI) data has been widely used to examine the brain’s functional activities and has been recently used to characterize and differentiate brain conditions. However, the dynamical transition patterns of the brain’s functional states have been less explored. In this work, we propose a novel computational framework to quantitatively characterize the brain state dynamics via hidden Markov models (HMMs) learned from the observations of temporally dynamic functional connectomics, denoted as functional connectome states. The framework has been applied to the R-fMRI dataset including 44 post-traumatic stress disorder (PTSD) patients and 51 normal control (NC) subjects. Experimental results show that both PTSD and NC brains were undergoing remarkable changes in resting state and mainly transiting amongst a few brain states. Interestingly, further prediction with the best-matched HMM demonstrates that PTSD would enter into, but could not disengage from, a negative mood state. Importantly, 84 % of PTSD patients and 86 % of NC subjects are successfully classified via multiple HMMs using majority voting. PMID:25331991

Discontinuity of Coverage for Medicaid and S-CHIP Children at a Transitional Birthday

PubMed Central

Ketsche, Patricia; Adams, E Kathleen; Snyder, Angela; Zhou, Mei; Minyard, Karen; Kellenberg, Rebecca

2007-01-01

Research Objective To investigate disenrollment from public insurance at the 6-year transitional birthday when eligibility for many children moves from Medicaid to State Children's Health Insurance Program (S-CHIP). Data Sources Data from Georgia's S-CHIP (PeachCare) and Medicaid programs from 2000 to 2002. Study Design The likelihood of dropping public coverage after the reference birthday is modeled for children turning age 6 compared with a control cohort of children turning age 9 controlling for demographic and geographic differences between enrollees. Principal Findings Over 17 percent of 6-year-olds versus only 7 percent of the control cohort dropped coverage. After controlling for other factors (e.g., race/ethnicity, prior enrollment, and geographic region) having lower historical expenditures is predictive of dropping coverage among all children, although the unadjusted effect is stronger among children enrolled in PeachCare before their sixth birthday. Only 1 percent of Medicaid children who remained covered transitioned to PeachCare. Conclusions Turnover at transitional birthdays identifies a common pathway for children into the ranks of the uninsured. Facilitating continuous enrollment would retain in the programs children with lower than average expenditures. This may be one of the more cost effective ways of reducing the number of uninsured children in Georgia. PMID:17995550

Dynamical modeling and analysis of large cellular regulatory networks

NASA Astrophysics Data System (ADS)

Bérenguier, D.; Chaouiya, C.; Monteiro, P. T.; Naldi, A.; Remy, E.; Thieffry, D.; Tichit, L.

2013-06-01

The dynamical analysis of large biological regulatory networks requires the development of scalable methods for mathematical modeling. Following the approach initially introduced by Thomas, we formalize the interactions between the components of a network in terms of discrete variables, functions, and parameters. Model simulations result in directed graphs, called state transition graphs. We are particularly interested in reachability properties and asymptotic behaviors, which correspond to terminal strongly connected components (or "attractors") in the state transition graph. A well-known problem is the exponential increase of the size of state transition graphs with the number of network components, in particular when using the biologically realistic asynchronous updating assumption. To address this problem, we have developed several complementary methods enabling the analysis of the behavior of large and complex logical models: (i) the definition of transition priority classes to simplify the dynamics; (ii) a model reduction method preserving essential dynamical properties, (iii) a novel algorithm to compact state transition graphs and directly generate compressed representations, emphasizing relevant transient and asymptotic dynamical properties. The power of an approach combining these different methods is demonstrated by applying them to a recent multilevel logical model for the network controlling CD4+ T helper cell response to antigen presentation and to a dozen cytokines. This model accounts for the differentiation of canonical Th1 and Th2 lymphocytes, as well as of inflammatory Th17 and regulatory T cells, along with many hybrid subtypes. All these methods have been implemented into the software GINsim, which enables the definition, the analysis, and the simulation of logical regulatory graphs.

Modeling of atomic systems for atomic clocks and quantum information

NASA Astrophysics Data System (ADS)

Arora, Bindiya

This dissertation reports the modeling of atomic systems for atomic clocks and quantum information. This work is motivated by the prospects of optical frequency standards with trapped ions and the quantum computation proposals with neutral atoms in optical lattices. Extensive calculations of the electric-dipole matrix elements in monovalent atoms are conducted using the relativistic all-order method. This approach is a linearized version of the coupled-cluster method, which sums infinite sets of many-body perturbation theory terms. All allowed transitions between the lowest ns, np1/2, np 3/2 states and a large number of excited states of alkali-metal atoms are evaluated using the all-order method. For Ca+ ion, additional allowed transitions between nd5/2, np 3/2, nf5/2, nf 7/2 states and a large number of excited states are evaluated. We combine D1 lines measurements by Miller et al. [18] with our all-order calculations to determine the values of the electric-dipole matrix elements for the 4pj - 3d j' transitions in K and for the 5pj - 4dj' transitions in Rb to high precision. The resulting electric-dipole matrix elements are used for the high-precision calculation of frequency-dependent polarizabilities of ground state of alkali atoms. Our values of static polarizabilities are found to be in excellent agreement with available experiments. Calculations were done for the wavelength in the range 300--1600 nm, with particular attention to wavelengths of common infrared lasers. We parameterize our results so that they can be extended accurately to arbitrary wavelengths above 800 nm. Our data can be used to predict the oscillation frequencies of optically-trapped atoms, and particularly the ratios of frequencies of different species held in the same trap. We identify wavelengths at which two different alkali atoms have the same oscillation frequency. We present results of all-order calculations of static and frequency-dependent polarizabilities of excited np1/2 and np3/2 state in Na, K, Rb, and Cs atoms and evaluate the uncertainties of these values. Both scalar and tensor part of the p state polarizability were calculated. This made the calculations complicated owing to the contributions from p--d transitions. The static polarizability values are found to be in excellent agreement with previous experimental and theoretical results. We used our calculations to identify the "magic" wavelengths at which the ac polarizabilities of the alkali-metal atoms in the ground state are equal to the ac polarizabilities in the excited npj states facilitating state-insensitive cooling and trapping. We list the results for the np 1/2 and np3/2 states separately. Depending on the mj sub levels, the total polarizability of the np3/2 state was calculated either as the sum or as the difference of scalar and tensor contributions. We pointed out the complications involved in the magic wavelength calculations for the mj = +/-3/2 sub levels. We also study the magic wavelengths for transitions between particular np3/2 F'M' and nsFM hyperfine sub levels. We have proposed a scheme for state-insensitive trapping of neutral atoms by using two-color light at convenient wavelengths. In this scheme, we predict the values of trap and control wavelengths for which the 5s and 5p3/2 levels in Rb atom have same ac Stark shifts in the presence of two laser fields. We also list the trap and control wavelength combinations where one of the laser wavelengths is double the other. The results were listed at same and different trap and control laser intensities. This scheme allows to select convenient and easily available laser wavelength for experiments where it is essential to precisely localize and control neutral atoms with minimum decoherence. Motivated by the prospect of an optical frequency standard based on 43Ca+, we calculate the blackbody radiation (BBR) shift of the 4s1/2-3d5/2 clock transition of an optical frequency standard based on 43Ca+. We describe the study of the Rydberg-Rydberg interactions for quantum gates with neutral atoms and decoherence mechanisms in the Rydberg gate scheme. We have also studied the properties and decoherence processes of the Rydberg states as they are needed for the understanding of possible achievable gate fidelity. (Abstract shortened by UMI.)

Phase-space dynamics of opposition control in wall-bounded turbulent flows

NASA Astrophysics Data System (ADS)

Hwang, Yongyun; Ibrahim, Joseph; Yang, Qiang; Doohan, Patrick

2017-11-01

The phase-space dynamics of wall-bounded shear flow in the presence of opposition control is explored by examining the behaviours of a pair of nonlinear equilibrium solutions (exact coherent structures), edge state and life time of turbulence at low Reynolds numbers. While the control modifies statistics and phase-space location of the edge state and the lower-branch equilibrium solution very little, it is also found to regularise the periodic orbit on the edge state by reverting a period-doubling bifurcation. Only the upper-branch equilibrium solution and mean turbulent state are significantly modified by the control, and, in phase space, they gradually approach the edge state on increasing the control gain. It is found that this behaviour results in a significant reduction of the life time of turbulence, indicating that the opposition control significantly increases the probability that the turbulent solution trajectory passes through the edge state. Finally, it is shown that the opposition control increases the critical Reynolds number of the onset of the equilibrium solutions, indicating its capability of transition delay. This work is sponsored by the Engineering and Physical Sciences Research Council (EPSRC) in the UK (EP/N019342/1).

Synthetic Control of Exciton Behavior in Colloidal Quantum Dots.

PubMed

Pu, Chaodan; Qin, Haiyan; Gao, Yuan; Zhou, Jianhai; Wang, Peng; Peng, Xiaogang

2017-03-08

Colloidal quantum dots are promising optical and optoelectronic materials for various applications, whose performance is dominated by their excited-state properties. This article illustrates synthetic control of their excited states. Description of the excited states of quantum-dot emitters can be centered around exciton. We shall discuss that, different from conventional molecular emitters, ground-state structures of quantum dots are not necessarily correlated with their excited states. Synthetic control of exciton behavior heavily relies on convenient and affordable monitoring tools. For synthetic development of ideal optical and optoelectronic emitters, the key process is decay of band-edge excitons, which renders transient photoluminescence as important monitoring tool. On the basis of extensive synthetic developments in the past 20-30 years, synthetic control of exciton behavior implies surface engineering of quantum dots, including surface cation/anion stoichiometry, organic ligands, inorganic epitaxial shells, etc. For phosphors based on quantum dots doped with transition metal ions, concentration and location of the dopant ions within a nanocrystal lattice are found to be as important as control of the surface states in order to obtain bright dopant emission with monoexponential yet tunable photoluminescence decay dynamics.

Narrow band noise response of a Belleville spring resonator.

PubMed

Lyon, Richard H

2013-09-01

This study of nonlinear dynamics includes (i) an identification of quasi-steady states of response using equivalent linearization, (ii) the temporal simulation of the system using Heun's time step procedure on time domain analytic signals, and (iii) a laboratory experiment. An attempt has been made to select material and measurement parameters so that nearly the same systems are used and analyzed for all three parts of the study. This study illustrates important features of nonlinear response to narrow band excitation: (a) states of response that the system can acquire with transitions of the system between those states, (b) the interaction between the noise source and the vibrating load in which the source transmits energy to or draws energy from the load as transitions occur; (c) the lag or lead of the system response relative to the source as transitions occur that causes the average frequencies of source and response to differ; and (d) the determination of the state of response (mass or stiffness controlled) by observation of the instantaneous phase of the influence function. These analyses take advantage of the use of time domain analytic signals that have a complementary role to functions that are analytic in the frequency domain.

Deconstructing field-induced ketene isomerization through Lagrangian descriptors.

PubMed

Craven, Galen T; Hernandez, Rigoberto

2016-02-07

The time-dependent geometrical separatrices governing state transitions in field-induced ketene isomerization are constructed using the method of Lagrangian descriptors. We obtain the stable and unstable manifolds of time-varying transition states as dynamic phase space objects governing configurational changes when the ketene molecule is subjected to an oscillating electric field. The dynamics of the isomerization reaction are modeled through classical trajectory studies on the Gezelter-Miller potential energy surface and an approximate dipole moment model which is coupled to a time-dependent electric field. We obtain a representation of the reaction geometry, over varying field strengths and oscillation frequencies, by partitioning an initial phase space into basins labeled according to which product state is reached at a given time. The borders between these basins are in agreement with those obtained using Lagrangian descriptors, even in regimes exhibiting chaotic dynamics. Major outcomes of this work are: validation and extension of a transition state theory framework built from Lagrangian descriptors, elaboration of the applicability for this theory to periodically- and aperiodically-driven molecular systems, and prediction of regimes in which isomerization of ketene and its derivatives may be controlled using an external field.

Differential Flatness and Cooperative Tracking in the Lorenz System

NASA Technical Reports Server (NTRS)

Crespo, Luis G.

2002-01-01

In this paper the control of the Lorenz system for both stabilization and tracking problems is studied via feedback linearization and differential flatness. By using the Rayleigh number as the control, only variable physically tunable, a barrier in the controllability of the system is incidentally imposed. This is reflected in the appearance of a singularity in the state transformation. Composite controllers that overcome this difficulty are designed and evaluated. The transition through the manifold defined by such a singularity is achieved by inducing a chaotic response within a boundary layer that contains it. Outside this region, a conventional feedback nonlinear control is applied. In this fashion, the authority of the control is enlarged to the whole. state space and the need for high control efforts is mitigated. In addition, the differential parametrization of the problem is used to track nonlinear functions of one state variable (single tracking) as well as several state variables (cooperative tracking). Control tasks that lead to integrable and non-integrable differential equations for the nominal flat output in steady-state are considered. In particular, a novel numerical strategy to deal with the non-integrable case is proposed. Numerical results validate very well the control design.

Controllable phase transitions and novel selection rules in Josephson junctions with inherent orthogonality

NASA Astrophysics Data System (ADS)

Cheng, Qiang; Zhang, Kunhua; Ma, Hongyang

2018-03-01

We propose a new type of Josephson junction consisting of topologically nontrivial superconductors with inherent orthogonality and a ferromagnetic interface. It is found this type of junction can host rich ground states: 0 phase, π phase, 0 + π phase, φ0 phase and φ0 ± φ phase. Phase transitions can be controlled by changing the direction of the interfacial magnetization. Phase diagrams are presented in the orientation space. Novel selection rules for the lowest order current, sin ⁡ ϕ or cos ⁡ ϕ, of this kind of junction are derived. General conditions for the formation of various ground states are established, which possess guiding significance to the experimental design of required ground states for practical applications. We construct the succinct form of a Ginzburg-Landau type of free energy from the viewpoint of the interplay between topological superconductivity and ferromagnetism, which can immediately lead to the selection rules. The constructed terms are universally available to the topological Josephson junctions with or without inherent orthogonality reported recently. The spin supercurrent, its selection rules and their relations to the constructed energy are also investigated.

Critical linkages between land-use transition and human health in the Himalayan region.

PubMed

Xu, Jianchu; Sharma, Rita; Fang, Jing; Xu, Yufen

2008-02-01

This article reviews critical linkages between land-use transition and human health in the Himalayan region by applying ecosystem approaches to human health (or EcoHealth). Land-use transition in the Himalayan and similar regions includes sedentarization, agricultural intensification, habitat modification, migration, change of livelihoods and lifestyles, biodiversity loss, and increasing flash floods. These transitions, which can have impacts on human health, are driven by state policies, a market economy, and climate change. Human health is dependent on access to ecosystem services for food, nutrition, medicine, fiber and shelter, fresh water, and clear air. Ecosystem management has been a key means of controlling disease vectors and creating suitable habitats for human well-being. The paper identifies the web of environmental factors that influence human health. Institutional and policy issues for land-use and health transitions are also discussed.

An evolutionarily conserved RNase-based mechanism for repression of transcriptional positive autoregulation

PubMed Central

Wurtmann, Elisabeth J.; Ratushny, Alexander V.; Pan, Min; Beer, Karlyn D.; Aitchison, John D.; Baliga, Nitin S.

2014-01-01

Summary It is known that environmental context influences the degree of regulation at the transcriptional and post-transcriptional levels. However, the principles governing the differential usage and interplay of regulation at these two levels are not clear. Here, we show that the integration of transcriptional and post-transcriptional regulatory mechanisms in a characteristic network motif drives efficient environment-dependent state transitions. Through phenotypic screening, systems analysis, and rigorous experimental validation, we discovered an RNase (VNG2099C) in Halobacterium salinarum that is transcriptionally co-regulated with genes of the aerobic physiologic state but acts on transcripts of the anaerobic state. Through modeling and experimentation we show that this arrangement generates an efficient state-transition switch, within which RNase-repression of a transcriptional positive autoregulation (RPAR) loop is critical for shutting down ATP-consuming active potassium uptake to reserve energy required for salinity adaptation under aerobic, high potassium, or dark conditions. Subsequently, we discovered that many Escherichia coli operons with energy-associated functions are also putatively controlled by RPAR indicating that this network motif may have evolved independently in phylogenetically distant organisms. Thus, our data suggest that interplay of transcriptional and post-transcriptional regulation in the RPAR motifis a generalized principle for efficient environment-dependent state transitions across prokaryotes. PMID:24612392

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

PubMed

Savoy, Elizabeth S; Escobedo, Fernando A

2012-11-20

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

Spin-Orbit Coupling Controlled J = 3 / 2 Electronic Ground State in 5 d 3 Oxides

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

Taylor, A. E.; Calder, S.; Morrow, R.

Entanglement of spin and orbital degrees of freedom drives the formation of novel quantum and topological physical states. Here we report resonant inelastic x-ray scattering measurements of the transition metal oxides Ca3LiOsO6 and Ba2YOsO6, which reveals a dramatic spitting of the t2g manifold. We invoke an intermediate coupling approach that incorporates both spin-orbit coupling and electron-electron interactions on an even footing and reveal that the ground state of 5d3-based compounds, which has remained elusive in previously applied models, is a novel spin-orbit entangled J=3/2 electronic ground state. This work reveals the hidden diversity of spin-orbit controlled ground states in 5dmore » systems and introduces a new arena in the search for spin-orbit controlled phases of matter.« less

Quantum structures for recombination control in the light-emitting transistor

NASA Astrophysics Data System (ADS)

Chen, Kanuo; Hsiao, Fu-Chen; Joy, Brittany; Dallesasse, John M.

2017-02-01

Recombination of carriers in the direct-bandgap base of a transistor-injected quantum cascade laser (TI-QCL) is shown to be controllable through the field applied across the quantum cascade region located in the transistor's base-collector junction. The influence of the electric field on the quantum states in the cascade region's superlattice allows free flow of electrons out of the transistor base only for field values near the design field that provides optimal QCL gain. Quantum modulation of base recombination in the light-emitting transistor is therefore observed. In a GaAs-based light-emitting transistor, a periodic superlattice is grown between the p-type base and the n-type collector. Under different base-collector biasing conditions the distribution of quantum states, and as a consequence transition probabilities through the wells and barriers forming the cascade region, leads to strong field-dependent mobility for electrons in transit through the base-collector junction. The radiative base recombination, which is influenced by minority carrier transition lifetime, can be modulated through the quantum states alignment in the superlattice. A GaAs-based transistor-injected quantum cascade laser with AlGaAs/GaAs superlattice is designed and fabricated. Radiative base recombination is measured under both common-emitter and common-base configuration. In both configurations the optical output from the base is proportional to the emitter injection. When the quantum states in the superlattice are aligned the optical output in the base is reduced as electrons encounter less impedance entering the collector; when the quantum states are misaligned electrons have longer lifetime in the base and the radiative base recombination process is enhanced.

Enriching mission planning approach with state transition graph heuristics for deep space exploration

NASA Astrophysics Data System (ADS)

Jin, Hao; Xu, Rui; Xu, Wenming; Cui, Pingyuan; Zhu, Shengying

2017-10-01

As to support the mission of Mars exploration in China, automated mission planning is required to enhance security and robustness of deep space probe. Deep space mission planning requires modeling of complex operations constraints and focus on the temporal state transitions of involved subsystems. Also, state transitions are ubiquitous in physical systems, but have been elusive for knowledge description. We introduce a modeling approach to cope with these difficulties that takes state transitions into consideration. The key technique we build on is the notion of extended states and state transition graphs. Furthermore, a heuristics that based on state transition graphs is proposed to avoid redundant work. Finally, we run comprehensive experiments on selected domains and our techniques present an excellent performance.

Epigenetic and physiological effects of gibberellin inhibitors and chemical pruners on the floral transition of azalea.

PubMed

Meijón, Mónica; Cañal, María Jesús; Valledor, Luis; Rodríguez, Roberto; Feito, Isabel

2011-03-01

The ability to control the timing of flowering is a key strategy in planning the production of ornamental species such as azaleas; however, it requires a thorough understanding of floral transition. DNA methylation is involved in controlling the functional state of chromatin and gene expression during floral induction pathways in response to environmental and developmental signals. Plant hormone signalling is also known to regulate suites of morphogenic processes in plants and its role in flowering-time control is starting to emerge as a key controlling step. This work investigates if the gibberellin (GA) inhibitors and chemical pinching applied in improvement of azalea flowering alter the dynamics of DNA methylation or the levels of polyamines (PAs), GAs and cytokinins (CKs) during floral transition, and whether these changes could be related to the effects observed on flowering ability. DNA methylation during floral transition and endogenous content of PAs, GAs and CKs were analysed after the application of GA synthesis inhibitors (daminozide, paclobutrazol and chlormequat chloride) and a chemical pruner (fatty acids). The application of GA biosynthesis inhibitors caused alterations in levels of PAs, GAs and CKs and in global DNA methylation levels during floral transition; also, these changes in plant growth regulators and DNA methylation were correlated with flower development. DNA methylation, PA, GA and CK levels can be used as predictive markers of plant floral capacity in azalea. Copyright © Physiologia Plantarum 2010.

Zygotic Genome Activation in Vertebrates.

PubMed

Jukam, David; Shariati, S Ali M; Skotheim, Jan M

2017-08-21

The first major developmental transition in vertebrate embryos is the maternal-to-zygotic transition (MZT) when maternal mRNAs are degraded and zygotic transcription begins. During the MZT, the embryo takes charge of gene expression to control cell differentiation and further development. This spectacular organismal transition requires nuclear reprogramming and the initiation of RNAPII at thousands of promoters. Zygotic genome activation (ZGA) is mechanistically coordinated with other embryonic events, including changes in the cell cycle, chromatin state, and nuclear-to-cytoplasmic component ratios. Here, we review progress in understanding vertebrate ZGA dynamics in frogs, fish, mice, and humans to explore differences and emphasize common features. Copyright © 2017 Elsevier Inc. All rights reserved.

Dynamic non-reciprocal meta-surfaces with arbitrary phase reconfigurability based on photonic transition in meta-atoms

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

Shi, Yu; Fan, Shanhui, E-mail: shanhui@stanford.edu

2016-01-11

We introduce a distinct class of dynamic non-reciprocal meta-surfaces with arbitrary phase-reconfigurability. This meta-surface consists of an array of meta-atoms, each of which is subject to temporal refractive index modulation, which induces photonic transitions between the states of the meta-atom. We show that arbitrary phase profile for the outgoing wave can be achieved by controlling the phase of the modulation at each meta-atom. Moreover, such dynamic meta-surfaces exhibit non-reciprocal response without the need for magneto-optical effects. The use of photonic transition significantly enhances the tunability and the possible functionalities of meta-surfaces.

Field-controlled magnetic order with insulator-metal transitions in a periodic Anderson-like organic polymer.

PubMed

Ding, L J; Yao, K L; Fu, H H

2011-01-07

The zero- and low-temperature behaviors of a quasi-one-dimensional organic polymer proposed as a symmetrical periodic Anderson-like chain model, in which the localized f orbitals hybridize with the conduction orbitals at even sites, are investigated by means of many-body Green's function theory. In the absence of magnetic field, the ground state of the system turns out to be ferrimagnetic. The temperature-induced phase diagrams have been explored, where the competition between the Hubbard repulsion U on the localized f orbital and the hybridization strength V makes an important impact on the transition temperature. In a magnetic field, it is found that a 1/3 magnetization plateau appears and two critical fields indicating the insulator-metal transitions at zero temperature emerge, which are closely related to the energy bands. Furthermore, the single-site entanglement entropy is a good indicator of quantum phase transitions. The temperature-field-induced phase diagram has also been attained, wherein the magnetization plateau state, the gapless phase and the spin polarized state are revealed. The temperature dependence of thermodynamic quantities such as the magnetization, susceptibility and specific heat are calculated to characterize the corresponding phases. It is also found that the up-spin and down-spin hole excitations are responsible for the thermodynamic properties.

Transitional Justice and National Reconciliation

DTIC Science & Technology

2014-01-01

reform of the state “security services” requires the reform of the army, police, judiciary, customs, immigration control, intelligence services, and...Committee in South Africa, the Equity and Reconciliation Committee in Morocco, and similar entities in Chile and Peru. 3. Achieving community dialogue

A modified PATH algorithm rapidly generates transition states comparable to those found by other well established algorithms

PubMed Central

Chandrasekaran, Srinivas Niranj; Das, Jhuma; Dokholyan, Nikolay V.; Carter, Charles W.

2016-01-01

PATH rapidly computes a path and a transition state between crystal structures by minimizing the Onsager-Machlup action. It requires input parameters whose range of values can generate different transition-state structures that cannot be uniquely compared with those generated by other methods. We outline modifications to estimate these input parameters to circumvent these difficulties and validate the PATH transition states by showing consistency between transition-states derived by different algorithms for unrelated protein systems. Although functional protein conformational change trajectories are to a degree stochastic, they nonetheless pass through a well-defined transition state whose detailed structural properties can rapidly be identified using PATH. PMID:26958584

Modeling and visualizing cell type switching.

PubMed

Ghaffarizadeh, Ahmadreza; Podgorski, Gregory J; Flann, Nicholas S

2014-01-01

Understanding cellular differentiation is critical in explaining development and for taming diseases such as cancer. Differentiation is conventionally represented using bifurcating lineage trees. However, these lineage trees cannot readily capture or quantify all the types of transitions now known to occur between cell types, including transdifferentiation or differentiation off standard paths. This work introduces a new analysis and visualization technique that is capable of representing all possible transitions between cell states compactly, quantitatively, and intuitively. This method considers the regulatory network of transcription factors that control cell type determination and then performs an analysis of network dynamics to identify stable expression profiles and the potential cell types that they represent. A visualization tool called CellDiff3D creates an intuitive three-dimensional graph that shows the overall direction and probability of transitions between all pairs of cell types within a lineage. In this study, the influence of gene expression noise and mutational changes during myeloid cell differentiation are presented as a demonstration of the CellDiff3D technique, a new approach to quantify and envision all possible cell state transitions in any lineage network.

The effects of beta-endorphin: state change modification.

PubMed

Veening, Jan G; Barendregt, Henk P

2015-01-29

Beta-endorphin (β-END) is an opioid neuropeptide which has an important role in the development of hypotheses concerning the non-synaptic or paracrine communication of brain messages. This kind of communication between neurons has been designated volume transmission (VT) to differentiate it clearly from synaptic communication. VT occurs over short as well as long distances via the extracellular space in the brain, as well as via the cerebrospinal fluid (CSF) flowing through the ventricular spaces inside the brain and the arachnoid space surrounding the central nervous system (CNS). To understand how β-END can have specific behavioral effects, we use the notion behavioral state, inspired by the concept of machine state, coming from Turing (Proc London Math Soc, Series 2,42:230-265, 1937). In section 1.4 the sequential organization of male rat behavior is explained showing that an animal is not free to switch into another state at any given moment. Funneling-constraints restrict the number of possible behavioral transitions in specific phases while at other moments in the sequence the transition to other behavioral states is almost completely open. The effects of β-END on behaviors like food intake and sexual behavior, and the mechanisms involved in reward, meditation and pain control are discussed in detail. The effects on the sequential organization of behavior and on state transitions dominate the description of these effects.

Drug Loading Capacity of Environmentally Sensitive Polymeric Microgels

NASA Astrophysics Data System (ADS)

McDonough, Ryan; Streletzky, Kiril; Bayachou, Mekki; Peiris, Pubudu

2009-10-01

Microgel nanoparticles consisting of cross-linked polymer hydroxypropyl cellulose chains have a temperature dependent volume phase transition, prompting the use of microgels for controlled drug transport. Drug particles aggregate in the slightly hydrophobic interior of microgels. Microgels are stored in equilibrium until the critical temperature (Tv) is reached and the volume phase transition limits available space, thus expelling the drugs. Our study was designed to test this property of microgels using amperometric electrochemical methods. A critical assumption was that small molecules inside microgels would not interact via diffusion with the electrode surface and thus total current would be decreased across the electrodes in a microgel sample. A room temperature (Troom) flow amperometric measurement comparing microgel/tylenol solution with control tylenol samples yielded about 20% tylenol concentration reduction of the microgel sample. Results from the steady state electrochemical experiment confirm the presence of about 20% tylenol concentration drop of the microgel sample compared to control sample at Troom. Using the steady-state experiment with a cyclic temperature ramp from Troom to beyond Tv showed that the tylenol concentration change between the temperature extremes was greater for the microgel solution than for the control solution.

Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily.

PubMed

Hou, Guanhua; Cui, Qiang

2013-07-17

The first step for the hydrolysis of a phosphate monoester (pNPP(2-)) in enzymes of the alkaline phosphatase (AP) superfamily, R166S AP and wild-type NPP, is studied using QM/MM simulations based on an approximate density functional theory (SCC-DFTBPR) and a recently introduced QM/MM interaction Hamiltonian. The calculations suggest that similar loose transition states are involved in both enzymes, despite the fact that phosphate monoesters are the cognate substrates for AP but promiscuous substrates for NPP. The computed loose transition states are clearly different from the more synchronous ones previously calculated for diester reactions in the same AP enzymes. Therefore, our results explicitly support the proposal that AP enzymes are able to recognize and stabilize different types of transition states in a single active site. Analysis of the structural features of computed transition states indicates that the plastic nature of the bimetallic site plays a minor role in accommodating multiple types of transition states and that the high degree of solvent accessibility of the AP active site also contributes to its ability to stabilize diverse transition-state structures without the need of causing large structural distortions of the bimetallic motif. The binding mode of the leaving group in the transition state highlights that vanadate may not always be an ideal transition state analog for loose phosphoryl transfer transition states.

How to manipulate magnetic states of antiferromagnets

NASA Astrophysics Data System (ADS)

Song, Cheng; You, Yunfeng; Chen, Xianzhe; Zhou, Xiaofeng; Wang, Yuyan; Pan, Feng

2018-03-01

Antiferromagnetic materials, which have drawn considerable attention recently, have fascinating features: they are robust against perturbation, produce no stray fields, and exhibit ultrafast dynamics. Discerning how to efficiently manipulate the magnetic state of an antiferromagnet is key to the development of antiferromagnetic spintronics. In this review, we introduce four main methods (magnetic, strain, electrical, and optical) to mediate the magnetic states and elaborate on intrinsic origins of different antiferromagnetic materials. Magnetic control includes a strong magnetic field, exchange bias, and field cooling, which are traditional and basic. Strain control involves the magnetic anisotropy effect or metamagnetic transition. Electrical control can be divided into two parts, electric field and electric current, both of which are convenient for practical applications. Optical control includes thermal and electronic excitation, an inertia-driven mechanism, and terahertz laser control, with the potential for ultrafast antiferromagnetic manipulation. This review sheds light on effective usage of antiferromagnets and provides a new perspective on antiferromagnetic spintronics.

Controlling dynamical quantum phase transitions

NASA Astrophysics Data System (ADS)

Kennes, D. M.; Schuricht, D.; Karrasch, C.

2018-05-01

We study the dynamics arising from a double quantum quench where the parameters of a given Hamiltonian are abruptly changed from being in an equilibrium phase A to a different phase B and back (A →B →A ). As prototype models, we consider the (integrable) transverse Ising field as well as the (nonintegrable) ANNNI model. The return amplitude features nonanalyticities after the first quench through the equilibrium quantum critical point (A →B ), which is routinely taken as a signature of passing through a so-called dynamical quantum phase transition. We demonstrate that nonanalyticities after the second quench (B →A ) can be avoided and reestablished in a recurring manner upon increasing the time T spent in phase B. The system retains an infinite memory of its past state, and one has the intriguing opportunity to control at will whether or not dynamical quantum phase transitions appear after the second quench.

Ultrafast optically induced ferromagnetic/anti-ferromagnetic phase transition in GdTiO3 from first principles

NASA Astrophysics Data System (ADS)

Khalsa, Guru; Benedek, Nicole A.

2018-03-01

Epitaxial strain and chemical substitution have been the workhorses of functional materials design. These static techniques have shown immense success in controlling properties in complex oxides through the tuning of subtle structural distortions. Recently, an approach based on the excitation of an infrared active phonon with intense midinfrared light has created an opportunity for dynamical control of structure through special nonlinear coupling to Raman phonons. We use first-principles techniques to show that this approach can dynamically induce a magnetic phase transition from the ferromagnetic ground state to a hidden antiferromagnetic phase in the rare earth titanate GdTiO3 for realistic experimental parameters. We show that a combination of a Jahn-Teller distortion, Gd displacement, and infrared phonon motion dominate this phase transition with little effect from the octahedral rotations, contrary to conventional wisdom.

Active Terahertz Chiral Metamaterials Based on Phase Transition of Vanadium Dioxide (VO2).

PubMed

Wang, Shengxiang; Kang, Lei; Werner, Douglas H

2018-01-09

Compared with natural materials, chiral metamaterials have been demonstrated with orders of magnitude stronger chiroptical response, which provides the basis for applications such as ultracompact polarization components and plasmonic-enhanced biosensing. Terahertz chiral metamaterials that allow dynamic polarization control of terahertz waves are of great practical interest, but remain extremely rare. Here, we show that hybrid metamaterials integrated with vanadium dioxide (VO 2 ) exhibiting phase transition can enable dynamically tunable chiroptical responses at terahertz frequencies. In particular, a circular dichroism of ~40° and a maximum polarization rotation of ~200°/λ are observed around 0.7 THz. Furthermore, our study also reveals that the chiroptical response from the proposed metamaterials is strongly dependent on the phase transition of VO 2 , leading to actively controllable polarization states of the transmitted terahertz waves. This work paves the way for the development of terahertz metadevices capable of enabling active polarization manipulation.

Experimental and computational analysis of the transition state for ribonuclease A-catalyzed RNA 2′-O-transphosphorylation

PubMed Central

Gu, Hong; Zhang, Shuming; Wong, Kin-Yiu; Radak, Brian K.; Dissanayake, Thakshila; Kellerman, Daniel L.; Dai, Qing; Miyagi, Masaru; Anderson, Vernon E.; York, Darrin M.; Piccirilli, Joseph A.; Harris, Michael E.

2013-01-01

Enzymes function by stabilizing reaction transition states; therefore, comparison of the transition states of enzymatic and nonenzymatic model reactions can provide insight into biological catalysis. Catalysis of RNA 2′-O-transphosphorylation by ribonuclease A is proposed to involve electrostatic stabilization and acid/base catalysis, although the structure of the rate-limiting transition state is uncertain. Here, we describe coordinated kinetic isotope effect (KIE) analyses, molecular dynamics simulations, and quantum mechanical calculations to model the transition state and mechanism of RNase A. Comparison of the 18O KIEs on the 2′O nucleophile, 5′O leaving group, and nonbridging phosphoryl oxygens for RNase A to values observed for hydronium- or hydroxide-catalyzed reactions indicate a late anionic transition state. Molecular dynamics simulations using an anionic phosphorane transition state mimic suggest that H-bonding by protonated His12 and Lys41 stabilizes the transition state by neutralizing the negative charge on the nonbridging phosphoryl oxygens. Quantum mechanical calculations consistent with the experimental KIEs indicate that expulsion of the 5′O remains an integral feature of the rate-limiting step both on and off the enzyme. Electrostatic interactions with positively charged amino acid site chains (His12/Lys41), together with proton transfer from His119, render departure of the 5′O less advanced compared with the solution reaction and stabilize charge buildup in the transition state. The ability to obtain a chemically detailed description of 2′-O-transphosphorylation transition states provides an opportunity to advance our understanding of biological catalysis significantly by determining how the catalytic modes and active site environments of phosphoryl transferases influence transition state structure. PMID:23878223

Theoretical study on the low-lying excited states of the phosphorus monoiodide (PI) including the spin-orbit coupling

NASA Astrophysics Data System (ADS)

Zhang, Xiaomei; Liu, Xiaoting; Liang, Guiying; Li, Rui; Xu, Haifeng; Yan, Bing

2016-01-01

The potential energy curves (PECs) of the 22 Λ-S states of the phosphorus monoiodide (PI) molecule have been calculated at the level of MRCI+Q method with correlation-consistent quadruple-ζ quality basis set. The spectroscopic constants of the bound states are determined, which well reproduce the available measurements. The metastable a1Δ state has been reported for the first time, which lies between the X3Σ- and b1Σ+ states and have much deeper well than the ground state. The R-dependent spin-orbit (SO) matrix elements are calculated with the full-electron Breit-Pauli operator. Based on the SO matrix elements, the perturbations that the 23Π state may suffer from are analyzed in detail. The SOC effect makes the original Λ-S states split into 51 Ω states. In the zero-field splitting of the ground state X3Σ-, the spin-spin coupling contribution (2.23 cm-1) is found to be much smaller compared to the spin-orbit coupling contribution (50 cm-1). The avoided crossings between the Ω states lead to much shallower potential wells and the change of dissociation relationships of the states. The Ω-state wavefunctions are analyzed depending on their Λ-S compositions, showing the strong interactions among several quasidegenerate Λ-S states of the same total SO symmetry. The transition properties including electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition moments (TMs), the Franck-Condon factors, the transition probabilities and the radiative lifetimes are computed for the transitions between Ω components of a1Δ and b1Σ+ states and ground state. The transition probabilities induced by the E1, E2, and M1 transitions are evaluated. The E2 makes little effect on transition probabilities. In contrast, the E1 transition makes the main contribution to the transition probability and the M1 transition also brings the influence that cannot be neglected. Finally, the radiative lifetimes are determined with the transition moments including E1 and M1. The lifetime of transition (2)0+-X10+ is evaluated at the level of millisecond, much smaller than that of the transition (2)0+-X21.

Stabilisation of time-varying linear systems via Lyapunov differential equations

NASA Astrophysics Data System (ADS)

Zhou, Bin; Cai, Guang-Bin; Duan, Guang-Ren

2013-02-01

This article studies stabilisation problem for time-varying linear systems via state feedback. Two types of controllers are designed by utilising solutions to Lyapunov differential equations. The first type of feedback controllers involves the unique positive-definite solution to a parametric Lyapunov differential equation, which can be solved when either the state transition matrix of the open-loop system is exactly known, or the future information of the system matrices are accessible in advance. Different from the first class of controllers which may be difficult to implement in practice, the second type of controllers can be easily implemented by solving a state-dependent Lyapunov differential equation with a given positive-definite initial condition. In both cases, explicit conditions are obtained to guarantee the exponentially asymptotic stability of the associated closed-loop systems. Numerical examples show the effectiveness of the proposed approaches.

A multi-state model for sick-leave data applied to a randomized control trial study of low back pain.

PubMed

Lie, Stein Atle; Eriksen, Hege R; Ursin, Holger; Hagen, Eli Molde

2008-05-01

Analysing and presenting data on different outcomes after sick-leave is challenging. The use of extended statistical methods supplies additional information and allows further exploitation of data. Four hundred and fifty-seven patients, sick-listed for 8-12 weeks for low back pain, were randomized to intervention (n=237) or control (n=220). Outcome was measured as: "sick-listed'', "returned to work'', or "disability pension''. The individuals shifted between the three states between one and 22 times (mean 6.4 times). In a multi-state model, shifting between the states was set up in a transition intensity matrix. The probability of being in any of the states was calculated as a transition probability matrix. The effects of the intervention were modelled using a non-parametric model. There was an effect of the intervention for leaving the state sick-listed and shifting to returned to work (relative risk (RR)=1.27, 95% confidence interval (CI) 1.09- 1.47). The nonparametric estimates showed an effect of the intervention for leaving sick-listed and shifting to returned to work in the first 6 months. We found a protective effect of the intervention for shifting back to sick-listed between 6 and 18 months. The analyses showed that the probability of staying in the state returned to work was not different between the intervention and control groups at the end of the follow-up (3 years). We demonstrate that these alternative analyses give additional results and increase the strength of the analyses. The simple intervention did not decrease the probability of being on sick-leave in the long term; however, it decreased the time that individuals were on sick-leave.

Gain control through divisive inhibition prevents abrupt transition to chaos in a neural mass model

PubMed Central

Papasavvas, Christoforos A.; Wang, Yujiang; Trevelyan, Andrew J.; Kaiser, Marcus

2016-01-01

Experimental results suggest that there are two distinct mechanisms of inhibition in cortical neuronal networks: subtractive and divisive inhibition. They modulate the input-output function of their target neurons either by increasing the input that is needed to reach maximum output or by reducing the gain and the value of maximum output itself, respectively. However, the role of these mechanisms on the dynamics of the network is poorly understood. We introduce a novel population model and numerically investigate the influence of divisive inhibition on network dynamics. Specifically, we focus on the transitions from a state of regular oscillations to a state of chaotic dynamics via period-doubling bifurcations. The model with divisive inhibition exhibits a universal transition rate to chaos (Feigenbaum behavior). In contrast, in an equivalent model without divisive inhibition, transition rates to chaos are not bounded by the universal constant (non-Feigenbaum behavior). This non-Feigenbaum behavior, when only subtractive inhibition is present, is linked to the interaction of bifurcation curves in the parameter space. Indeed, searching the parameter space showed that such interactions are impossible when divisive inhibition is included. Therefore, divisive inhibition prevents non-Feigenbaum behavior and, consequently, any abrupt transition to chaos. The results suggest that the divisive inhibition in neuronal networks could play a crucial role in keeping the states of order and chaos well separated and in preventing the onset of pathological neural dynamics. PMID:26465514

Plants Actively Avoid State Transitions upon Changes in Light Intensity: Role of Light-Harvesting Complex II Protein Dephosphorylation in High Light1[OPEN

PubMed Central

Suorsa, Marjaana; Rantala, Marjaana; Aro, Eva-Mari

2015-01-01

Photosystem II (PSII) core and light-harvesting complex II (LHCII) proteins in plant chloroplasts undergo reversible phosphorylation upon changes in light intensity (being under control of redox-regulated STN7 and STN8 kinases and TAP38/PPH1 and PSII core phosphatases). Shift of plants from growth light to high light results in an increase of PSII core phosphorylation, whereas LHCII phosphorylation concomitantly decreases. Exactly the opposite takes place when plants are shifted to lower light intensity. Despite distinct changes occurring in thylakoid protein phosphorylation upon light intensity changes, the excitation balance between PSII and photosystem I remains unchanged. This differs drastically from the canonical-state transition model induced by artificial states 1 and 2 lights that concomitantly either dephosphorylate or phosphorylate, respectively, both the PSII core and LHCII phosphoproteins. Analysis of the kinase and phosphatase mutants revealed that TAP38/PPH1 phosphatase is crucial in preventing state transition upon increase in light intensity. Indeed, tap38/pph1 mutant revealed strong concomitant phosphorylation of both the PSII core and LHCII proteins upon transfer to high light, thus resembling the wild type under state 2 light. Coordinated function of thylakoid protein kinases and phosphatases is shown to secure balanced excitation energy for both photosystems by preventing state transitions upon changes in light intensity. Moreover, PROTON GRADIENT REGULATION5 (PGR5) is required for proper regulation of thylakoid protein kinases and phosphatases, and the pgr5 mutant mimics phenotypes of tap38/pph1. This shows that there is a close cooperation between the redox- and proton gradient-dependent regulatory mechanisms for proper function of the photosynthetic machinery. PMID:25902812

Assessment of needs and research roadmaps for rechargeable energy storage system (RESS) onboard electric drive buses

DOT National Transportation Integrated Search

2010-12-01

In support of the Federal Transit Administration (FTA) Electric Drive Strategic Plan (EDSP), this report assesses state-of-art advances in lithium-ion batteries, ultracapacitors, and related power management and control technologies for the rechargea...

Automated Transition State Search and Its Application to Diverse Types of Organic Reactions.

PubMed

Jacobson, Leif D; Bochevarov, Art D; Watson, Mark A; Hughes, Thomas F; Rinaldo, David; Ehrlich, Stephan; Steinbrecher, Thomas B; Vaitheeswaran, S; Philipp, Dean M; Halls, Mathew D; Friesner, Richard A

2017-11-14

Transition state search is at the center of multiple types of computational chemical predictions related to mechanistic investigations, reactivity and regioselectivity predictions, and catalyst design. The process of finding transition states in practice is, however, a laborious multistep operation that requires significant user involvement. Here, we report a highly automated workflow designed to locate transition states for a given elementary reaction with minimal setup overhead. The only essential inputs required from the user are the structures of the separated reactants and products. The seamless workflow combining computational technologies from the fields of cheminformatics, molecular mechanics, and quantum chemistry automatically finds the most probable correspondence between the atoms in the reactants and the products, generates a transition state guess, launches a transition state search through a combined approach involving the relaxing string method and the quadratic synchronous transit, and finally validates the transition state via the analysis of the reactive chemical bonds and imaginary vibrational frequencies as well as by the intrinsic reaction coordinate method. Our approach does not target any specific reaction type, nor does it depend on training data; instead, it is meant to be of general applicability for a wide variety of reaction types. The workflow is highly flexible, permitting modifications such as a choice of accuracy, level of theory, basis set, or solvation treatment. Successfully located transition states can be used for setting up transition state guesses in related reactions, saving computational time and increasing the probability of success. The utility and performance of the method are demonstrated in applications to transition state searches in reactions typical for organic chemistry, medicinal chemistry, and homogeneous catalysis research. In particular, applications of our code to Michael additions, hydrogen abstractions, Diels-Alder cycloadditions, carbene insertions, and an enzyme reaction model involving a molybdenum complex are shown and discussed.

Control of the orientation and photoinduced phase transitions of macrocyclic azobenzene.

PubMed

Uchida, Emi; Sakaki, Kouji; Nakamura, Yumiko; Azumi, Reiko; Hirai, Yuki; Akiyama, Haruhisa; Yoshida, Masaru; Norikane, Yasuo

2013-12-16

Photoinduced phase transitions caused by photochromic reactions bring about a change in the state of matter at constant temperature. Herein, we report the photoinduced phase transitions of crystals of a photoresponsive macrocyclic compound bearing two azobenzene groups (1) at room temperature on irradiation with UV (365 nm) and visible (436 nm) light. The trans/trans isomer undergoes photoinduced phase transitions (crystal-isotropic phase-crystal) on UV light irradiation. The photochemically generated crystal exhibited reversible phase transitions between the crystal and the mesophase on UV and visible light irradiation. The molecular order of the randomly oriented crystals could be increased by irradiating with linearly polarized visible light, and the value of the order parameter was determined to be -0.84. Heating enhances the thermal cis-to-trans isomerization and subsequent cooling returned crystals of the trans/trans isomer. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stability limits and transformation pathways of α-quartz under high pressure

NASA Astrophysics Data System (ADS)

Hu, Q. Y.; Shu, J.-F.; Yang, W. G.; Park, C.; Chen, M. W.; Fujita, T.; Mao, H.-K.; Sheng, H. W.

2017-03-01

Ubiquitous on Earth, α-quartz plays an important role in modern science and technology. However, despite extensive research in the past, the mechanism of the polymorphic transitions of α-quartz at high pressures remains poorly understood. Here, combining in situ single-crystal x-ray diffraction experiment and advanced ab initio modeling, we report two stability limits and competing transition pathways of α-quartz under high pressure. Under near-equilibrium compression conditions at room temperature, α-quartz transits to a new P 2 /c silica phase via a structural intermediate. If the thermally activated transition is kinetically suppressed, the ultimate stability of α-quartz is controlled by its phonon instability and α-quartz collapses into a different crystalline phase. Our studies reveal that pressure-induced solid-state transformation of α-quartz undergoes a succession of structural stability limits, due to thermodynamic and mechanical catastrophes, and exhibits a hierarchy of transition pathways contingent upon kinetic conditions.

Transient Evolutional Dynamics of Quantum-Dot Molecular Phase Coherence for Sensitive Optical Switching

NASA Astrophysics Data System (ADS)

Shen, Jian Qi; Gu, Jing

2018-04-01

Atomic phase coherence (quantum interference) in a multilevel atomic gas exhibits a number of interesting phenomena. Such an atomic quantum coherence effect can be generalized to a quantum-dot molecular dielectric. Two quantum dots form a quantum-dot molecule, which can be described by a three-level Λ-configuration model { |0> ,|1> ,|2> } , i.e., the ground state of the molecule is the lower level |0> and the highly degenerate electronic states in the two quantum dots are the two upper levels |1> ,|2> . The electromagnetic characteristics due to the |0>-|1> transition can be controllably manipulated by a tunable gate voltage (control field) that drives the |2>-|1> transition. When the gate voltage is switched on, the quantum-dot molecular state can evolve from one steady state (i.e., |0>-|1> two-level dressed state) to another steady state (i.e., three-level coherent-population-trapping state). In this process, the electromagnetic characteristics of a quantum-dot molecular dielectric, which is modified by the gate voltage, will also evolve. In this study, the transient evolutional behavior of the susceptibility of a quantum-dot molecular thin film and its reflection spectrum are treated by using the density matrix formulation of the multilevel systems. The present field-tunable and frequency-sensitive electromagnetic characteristics of a quantum-dot molecular thin film, which are sensitive to the applied gate voltage, can be utilized to design optical switching devices.

Disorder-Induced Topological State Transition in Photonic Metamaterials

NASA Astrophysics Data System (ADS)

Liu, Changxu; Gao, Wenlong; Yang, Biao; Zhang, Shuang

2017-11-01

The topological state transition has been widely studied based on the quantized topological band invariant such as the Chern number for the system without intense randomness that may break the band structures. We numerically demonstrate the disorder-induced state transition in the photonic topological systems for the first time. Instead of applying the ill-defined topological band invariant in a disordered system, we utilize an empirical parameter to unambiguously illustrate the state transition of the topological metamaterials. Before the state transition, we observe a robust surface state with well-confined electromagnetic waves propagating unidirectionally, immune to the disorder from permittivity fluctuation up to 60% of the original value. During the transition, a hybrid state composed of a quasiunidirectional surface mode and intensively localized hot spots is established, a result of the competition between the topological protection and Anderson localization.

Volume-wise destruction of the antiferromagnetic Mott insulating state through quantum tuning.

NASA Astrophysics Data System (ADS)

Uemura, Yasutomo

RENiO3 (RE = rare-earth element) and V2O3 are archetypal Mott insulator systems. When tuned by chemical substitution (RENiO3) or hydrostatic pressure (V2O3) , they exhibit a quantum phase transition (QPT) between an antiferromagnetic Mott insulating state and a paramagnetic metallic state. We demonstrate through muon spin relaxation/rotation (μSR) experiments that the QPT in RENiO3 and V2O3 is first order: the magnetically ordered volume fraction decreases to zero at the QPT, resulting in a broad region of intrinsic phase separation, while the ordered magnetic moment retains its full value until it is suddenly destroyed at the QPT. These two cases correspond to the band-width tuning of Mott transitions, and also associated with structural phase transitions, Volume evolutions of antiferromagnetic transition from μSR will be compared to those of structure by x-ray and metallicity by nano optics, in first-order thermal Mott transition in a V2O3 film at ambient pressure. These results will be compared to the process of destruction of magnetic order in another Mott transition system Ba(Co,Ni)S2 in ``filling control'' without structural transition, and in parent compounds of high-Tc cuprates and Fe-based superconductors. We will also discuss roles of first-order quantum transition in generating soft modes relevant to magnetic resonance mode in unconventional superconductors. Work performed in collaboration with the groups of: J.A. Alonso (Madrid), H. Kageyama (Kyoto). E. Morenzoni (PSI), G.M. Luke (McMaster), C.Q. Jin (IOP Beijing), F.L. Ning (Zhejian), S.J.L. Billinge (Columbia), S. Shamoto, W. Higemoto (JAEA), A. Fujimori (Tokyo), A. Gauzzi (Paris), R. de Renzi (Parma), G. Kotliar (Rutgers), M. Imada (Tokyo), D. Basov (UCSD), I, Schuller (UCSD). supported by NSF DMR-1610633 and DMR-1436095 (DMREF).

A Pipelined Non-Deterministic Finite Automaton-Based String Matching Scheme Using Merged State Transitions in an FPGA

PubMed Central

Choi, Kang-Il

2016-01-01

This paper proposes a pipelined non-deterministic finite automaton (NFA)-based string matching scheme using field programmable gate array (FPGA) implementation. The characteristics of the NFA such as shared common prefixes and no failure transitions are considered in the proposed scheme. In the implementation of the automaton-based string matching using an FPGA, each state transition is implemented with a look-up table (LUT) for the combinational logic circuit between registers. In addition, multiple state transitions between stages can be performed in a pipelined fashion. In this paper, it is proposed that multiple one-to-one state transitions, called merged state transitions, can be performed with an LUT. By cutting down the number of used LUTs for implementing state transitions, the hardware overhead of combinational logic circuits is greatly reduced in the proposed pipelined NFA-based string matching scheme. PMID:27695114

A Pipelined Non-Deterministic Finite Automaton-Based String Matching Scheme Using Merged State Transitions in an FPGA.

PubMed

Kim, HyunJin; Choi, Kang-Il

2016-01-01

This paper proposes a pipelined non-deterministic finite automaton (NFA)-based string matching scheme using field programmable gate array (FPGA) implementation. The characteristics of the NFA such as shared common prefixes and no failure transitions are considered in the proposed scheme. In the implementation of the automaton-based string matching using an FPGA, each state transition is implemented with a look-up table (LUT) for the combinational logic circuit between registers. In addition, multiple state transitions between stages can be performed in a pipelined fashion. In this paper, it is proposed that multiple one-to-one state transitions, called merged state transitions, can be performed with an LUT. By cutting down the number of used LUTs for implementing state transitions, the hardware overhead of combinational logic circuits is greatly reduced in the proposed pipelined NFA-based string matching scheme.

Improving Upon String Methods for Transition State Discovery.

PubMed

Chaffey-Millar, Hugh; Nikodem, Astrid; Matveev, Alexei V; Krüger, Sven; Rösch, Notker

2012-02-14

Transition state discovery via application of string methods has been researched on two fronts. The first front involves development of a new string method, named the Searching String method, while the second one aims at estimating transition states from a discretized reaction path. The Searching String method has been benchmarked against a number of previously existing string methods and the Nudged Elastic Band method. The developed methods have led to a reduction in the number of gradient calls required to optimize a transition state, as compared to existing methods. The Searching String method reported here places new beads on a reaction pathway at the midpoint between existing beads, such that the resolution of the path discretization in the region containing the transition state grows exponentially with the number of beads. This approach leads to favorable convergence behavior and generates more accurate estimates of transition states from which convergence to the final transition states occurs more readily. Several techniques for generating improved estimates of transition states from a converged string or nudged elastic band have been developed and benchmarked on 13 chemical test cases. Optimization approaches for string methods, and pitfalls therein, are discussed.

Modeling and control of a hybrid-electric vehicle for drivability and fuel economy improvements

NASA Astrophysics Data System (ADS)

Koprubasi, Kerem

The gradual decline of oil reserves and the increasing demand for energy over the past decades has resulted in automotive manufacturers seeking alternative solutions to reduce the dependency on fossil-based fuels for transportation. A viable technology that enables significant improvements in the overall tank-to-wheel vehicle energy conversion efficiencies is the hybridization of electrical and conventional drive systems. Sophisticated hybrid powertrain configurations require careful coordination of the actuators and the onboard energy sources for optimum use of the energy saving benefits. The term optimality is often associated with fuel economy, although other measures such as drivability and exhaust emissions are also equally important. This dissertation focuses on the design of hybrid-electric vehicle (HEV) control strategies that aim to minimize fuel consumption while maintaining good vehicle drivability. In order to facilitate the design of controllers based on mathematical models of the HEV system, a dynamic model that is capable of predicting longitudinal vehicle responses in the low-to-mid frequency region (up to 10 Hz) is developed for a parallel HEV configuration. The model is validated using experimental data from various driving modes including electric only, engine only and hybrid. The high fidelity of the model makes it possible to accurately identify critical drivability issues such as time lags, shunt, shuffle, torque holes and hesitation. Using the information derived from the vehicle model, an energy management strategy is developed and implemented on a test vehicle. The resulting control strategy has a hybrid structure in the sense that the main mode of operation (the hybrid mode) is occasionally interrupted by event-based rules to enable the use of the engine start-stop function. The changes in the driveline dynamics during this transition further contribute to the hybrid nature of the system. To address the unique characteristics of the HEV drivetrain and to ensure smooth vehicle operation during mode changes, a special control method is developed. This method is generalized to a broad class of switched systems in which the switching conditions are state dependent or are supervised. The control approach involves partitioning the state-space such that the control law is modified as the state trajectory approaches a switching set and the state is steered to a location within the partition with low transitioning cost. Away from the partitions that contain switching sets, the controller is designed to achieve any suitable control objective. In the case of the HEV control problem, this objective generally involves minimizing fuel consumption. Finally, the experimental verification of this control method is illustrated using the application that originally motivated the development of this approach: the control of a HEV driveline during the transition from electric only to hybrid mode.

Engineering the oxygen coordination in digital superlattices

NASA Astrophysics Data System (ADS)

Cook, Seyoung; Andersen, Tassie K.; Hong, Hawoong; Rosenberg, Richard A.; Marks, Laurence D.; Fong, Dillon D.

2017-12-01

The oxygen sublattice in complex oxides is typically composed of corner-shared polyhedra, with transition metals at their centers. The electronic and chemical properties of the oxide depend on the type and geometric arrangement of these polyhedra, which can be controlled through epitaxial synthesis. Here, we use oxide molecular beam epitaxy to create SrCoOx:SrTiO3 superlattices with tunable oxygen coordination environments and sublattice geometries. Using synchrotron X-ray scattering in combination with soft X-ray spectroscopy, we find that the chemical state of Co can be varied with the polyhedral arrangement, with higher Co oxidation states increasing the valence band maximum. This work demonstrates a new strategy for engineering unique electronic structures in the transition metal oxides using short-period superlattices.

Satellite remote sensing of landscape freeze/thaw state dynamics for complex Topography and Fire Disturbance Areas Using multi-sensor radar and SRTM digital elevation models

NASA Technical Reports Server (NTRS)

Podest, Erika; McDonald, Kyle; Kimball, John; Randerson, James

2003-01-01

We characterize differences in radar-derived freeze/thaw state, examining transitions over complex terrain and landscape disturbance regimes. In areas of complex terrain, we explore freezekhaw dynamics related to elevation, slope aspect and varying landcover. In the burned regions, we explore the timing of seasonal freeze/thaw transition as related to the recovering landscape, relative to that of a nearby control site. We apply in situ biophysical measurements, including flux tower measurements to validate and interpret the remotely sensed parameters. A multi-scale analysis is performed relating high-resolution SAR backscatter and moderate resolution scatterometer measurements to assess trade-offs in spatial and temporal resolution in the remotely sensed fields.

Engineering the robustness of industrial microbes through synthetic biology.

PubMed

Zhu, Linjiang; Zhu, Yan; Zhang, Yanping; Li, Yin

2012-02-01

Microbial fermentations and bioconversions play a central role in the production of pharmaceuticals, enzymes and chemicals. To meet the demands of industrial production, it is desirable that microbes maintain a maximized carbon flux towards target metabolites regardless of fluctuations in intracellular or extracellular environments. This requires cellular systems that maintain functional stability and dynamic homeostasis in a given physiological state, or manipulate transitions between different physiological states. Stable maintenance or smooth transition can be achieved through engineering of dynamic controllability, modular and hierarchical organization, or functional redundancy, three key features of biological robustness in a cellular system. This review summarizes how synthetic biology can be used to improve the robustness of industrial microbes. Copyright © 2011 Elsevier Ltd. All rights reserved.

Modelling the effect of heterogeneity of shedding on the within herd Coxiella burnetii spread and identification of key parameters by sensitivity analysis.

PubMed

Courcoul, Aurélie; Monod, Hervé; Nielen, Mirjam; Klinkenberg, Don; Hogerwerf, Lenny; Beaudeau, François; Vergu, Elisabeta

2011-09-07

Coxiella burnetii is the bacterium responsible for Q fever, a worldwide zoonosis. Ruminants, especially cattle, are recognized as the most important source of human infections. Although a great heterogeneity between shedder cows has been described, no previous studies have determined which features such as shedding route and duration or the quantity of bacteria shed have the strongest impact on the environmental contamination and thus on the zoonotic risk. Our objective was to identify key parameters whose variation highly influences C. burnetii spread within a dairy cattle herd, especially those related to the heterogeneity of shedding. To compare the impact of epidemiological parameters on different dynamical aspects of C. burnetii infection, we performed a sensitivity analysis on an original stochastic model describing the bacterium spread and representing the individual variability of the shedding duration, routes and intensity as well as herd demography. This sensitivity analysis consisted of a principal component analysis followed by an ANOVA. Our findings show that the most influential parameters are the probability distribution governing the levels of shedding, especially in vaginal mucus and faeces, the characteristics of the bacterium in the environment (i.e. its survival and the fraction of bacteria shed reaching the environment), and some physiological parameters related to the intermittency of shedding (transition probability from a non-shedding infected state to a shedding state) or to the transition from one type of shedder to another one (transition probability from a seronegative shedding state to a seropositive shedding state). Our study is crucial for the understanding of the dynamics of C. burnetii infection and optimization of control measures. Indeed, as control measures should impact the parameters influencing the bacterium spread most, our model can now be used to assess the effectiveness of different control strategies of Q fever within dairy cattle herds. Copyright © 2011 Elsevier Ltd. All rights reserved.

Metal-insulator transitions

NASA Astrophysics Data System (ADS)

Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori

1998-10-01

Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of orders of magnitude, and are widely observed in condensed-matter systems. This article presents the observations and current understanding of the metal-insulator transition with a pedagogical introduction to the subject. Especially important are the transitions driven by correlation effects associated with the electron-electron interaction. The insulating phase caused by the correlation effects is categorized as the Mott Insulator. Near the transition point the metallic state shows fluctuations and orderings in the spin, charge, and orbital degrees of freedom. The properties of these metals are frequently quite different from those of ordinary metals, as measured by transport, optical, and magnetic probes. The review first describes theoretical approaches to the unusual metallic states and to the metal-insulator transition. The Fermi-liquid theory treats the correlations that can be adiabatically connected with the noninteracting picture. Strong-coupling models that do not require Fermi-liquid behavior have also been developed. Much work has also been done on the scaling theory of the transition. A central issue for this review is the evaluation of these approaches in simple theoretical systems such as the Hubbard model and t-J models. Another key issue is strong competition among various orderings as in the interplay of spin and orbital fluctuations. Experimentally, the unusual properties of the metallic state near the insulating transition have been most extensively studied in d-electron systems. In particular, there is revived interest in transition-metal oxides, motivated by the epoch-making findings of high-temperature superconductivity in cuprates and colossal magnetoresistance in manganites. The article reviews the rich phenomena of anomalous metallicity, taking as examples Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Ru compounds. The diverse phenomena include strong spin and orbital fluctuations, mass renormalization effects, incoherence of charge dynamics, and phase transitions under control of key parameters such as band filling, bandwidth, and dimensionality. These parameters are experimentally varied by doping, pressure, chemical composition, and magnetic fields. Much of the observed behavior can be described by the current theory. Open questions and future problems are also extracted from comparison between experimental results and theoretical achievements.

Electric-Field Control of Oxygen Vacancies and Magnetic Phase Transition in a Cobaltite/Manganite Bilayer

NASA Astrophysics Data System (ADS)

Cui, B.; Song, C.; Li, F.; Zhong, X. Y.; Wang, Z. C.; Werner, P.; Gu, Y. D.; Wu, H. Q.; Saleem, M. S.; Parkin, S. S. P.; Pan, F.

2017-10-01

Manipulation of oxygen vacancies (VO ) in single oxide layers by varying the electric field can result in significant modulation of the ground state. However, in many oxide multilayers with strong application potentials, e.g., ferroelectric tunnel junctions and solid-oxide fuel cells, understanding VO behavior in various layers under an applied electric field remains a challenge, owing to complex VO transport between different layers. By sweeping the external voltage, a reversible manipulation of VO and a corresponding fixed magnetic phase transition sequence in cobaltite/manganite (SrCoO3 -x/La0.45Sr0.55MnO3 -y ) heterostructures are reported. The magnetic phase transition sequence confirms that the priority of electric-field-induced VO formation or annihilation in the complex bilayer system is mainly determined by the VO formation energies and Gibbs free-energy differences, which is supported by theoretical analysis. We not only realize a reversible manipulation of the magnetic phase transition in an oxide bilayer but also provide insight into the electric-field control of VO engineering in heterostructures.

76 FR 56745 - Notice of Proposed Information Collection Requests

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-14

... Students with Intellectual Disabilities Evaluation System. OMB Control Number: Pending. Agency Form Number...) grants to fund the creation of Transition Programs for Students with Intellectual Disabilities (TPSIDs) (model demonstrations) in 23 states. OPE also awarded a grant to the Institute for Community Inclusion at...

Decoding the Regulatory Network for Blood Development from Single-Cell Gene Expression Measurements

PubMed Central

Haghverdi, Laleh; Lilly, Andrew J.; Tanaka, Yosuke; Wilkinson, Adam C.; Buettner, Florian; Macaulay, Iain C.; Jawaid, Wajid; Diamanti, Evangelia; Nishikawa, Shin-Ichi; Piterman, Nir; Kouskoff, Valerie; Theis, Fabian J.; Fisher, Jasmin; Göttgens, Berthold

2015-01-01

Here we report the use of diffusion maps and network synthesis from state transition graphs to better understand developmental pathways from single cell gene expression profiling. We map the progression of mesoderm towards blood in the mouse by single-cell expression analysis of 3,934 cells, capturing cells with blood-forming potential at four sequential developmental stages. By adapting the diffusion plot methodology for dimensionality reduction to single-cell data, we reconstruct the developmental journey to blood at single-cell resolution. Using transitions between individual cellular states as input, we develop a single-cell network synthesis toolkit to generate a computationally executable transcriptional regulatory network model that recapitulates blood development. Model predictions were validated by showing that Sox7 inhibits primitive erythropoiesis, and that Sox and Hox factors control early expression of Erg. We therefore demonstrate that single-cell analysis of a developing organ coupled with computational approaches can reveal the transcriptional programs that control organogenesis. PMID:25664528

Seating type and cognitive performance after 3 hours travel by high-speed boat in sea states 2-3.

PubMed

McMorris, Terry; Myers, Stephen; Dobbins, Trevor; Hall, Ben; Dyson, Rosemary

2009-01-01

Transit in high-speed marine craft subjects occupants to a rough ride as the boat impacts the waves. This induces high levels of physical stress, which may inhibit cognitive performance during military operations and life-saving activities. Land-based research suggests that suspension seats reduce vibration and, therefore, stress. We hypothesized that subjects using suspension seats would demonstrate better cognitive performance, lower perceptions of exertion, fatigue, and sleepiness, and lower salivary concentrations of cortisol than those using fixed seats. Subjects, naval personnel, were divided into fixed (N = 6) and suspension seat (N = 6) groups. Subjects undertook forward and backward number recall and random number generation tests pre- and post-transit (3 h in sea states 2-3). Salivary cortisol concentrations were sampled pre- (1100 h) and post-transit (1700 h) and at the same times on a control day. Post-transit perceptions of exertion, fatigue, and sleepiness were measured subjectively. The suspension seat group demonstrated better performance post-transit than the fixed seat group for forward number recall and showed a significant pre- to post-transit improvement in backward number recall. The suspension seat group reported less fatigue and sleepiness. The suspension seat group had significantly higher salivary cortisol concentrations than the fixed seat group post-transit. Regression analyses found a quadratic correlation between delta cortisol concentrations and delta random number generation scores (R2 = 0.68). Results show that the use of suspension seats during transit in high-speed marine craft may be advantageous with regard to cognitive performance.

Elastomeric member and method of manufacture therefor

DOEpatents

Hoppie, L.O.

1985-12-10

An energy storage device is disclosed consisting of a stretched elongated elastomeric member disposed within a tubular housing, which elastomeric member is adapted to be torsionally stressed to store energy. The elastomeric member is configured in the relaxed state with a uniform diameter body section, and transition end sections, attached to rigid end piece assemblies of a lesser diameter. The profile and deflection characteristic of the transition sections are such that upon stretching of the elastomeric member, a substantially uniform diameter assembly results, to minimize the required volume of the surrounding housing. Each of the transition sections are received within and bonded to a woven wire mesh sleeve having helical windings at a particular helix angle to control the deflection of the transition section. Each sleeve also contracts with the contraction of the associated transition section to maintain the bond therebetween. During manufacture, the sleeves are forced against a forming surface and bonded to the associated transition section to provide the correct profile and helix angle. 12 figs.

Elastomeric member

DOEpatents

Hoppie, L.O.

1985-07-30

An energy storage device is disclosed consisting of a stretched elongated elastomeric member disposed within a tubular housing, which elastomeric member is adapted to be torsionally stressed to store energy. The elastomeric member is configured in the relaxed state with a uniform diameter body section, and transition end sections, attached to rigid end piece assemblies of a lesser diameter. The profile and deflection characteristic of the transition sections are such that upon stretching of the elastomeric member, a substantially uniform diameter assembly results, to minimize the required volume of the surrounding housing. Each of the transition sections are received within and bonded to a woven wire mesh sleeve having helical windings at a particular helix angle to control the deflection of the transition section. Each sleeve also contracts with the contraction of the associated transition section to maintain the bond there between. During manufacture, the sleeves are forced against a forming surface and bonded to the associated transition section to provide the correct profile and helix angle. 12 figs.

Assessing the implementation of a bedside service handoff on an academic hospitalist service.

PubMed

Wray, Charlie M; Arora, Vineet M; Hedeker, Donald; Meltzer, David O

2018-06-01

Inpatient service handoffs are a vulnerable transition during a patients' hospitalization. We hypothesized that performing the service handoff at the patients' bedside may be one mechanism to more efficiently transfer patient information between physicians, while further integrating the patient into their hospital care. We performed a 6-month prospective study of performing a bedside handoff (BHO) at the service transition on a non-teaching hospitalist service. On a weekly basis, transitioning hospitalists co-rounded at patient's bedsides. Post-handoff surveys assessed for completeness of handoff, communication, missed information, and adverse events. A control group who performed the handoff via email, phone or face-to-face was also surveyed. Chi-square and item-response theory (IRT) analysis assessed for differences between BHO and control groups. Narrative responses were elicited to qualitatively describe the BHO. In total, 21/31 (67%) scheduled BHOs were performed. On average, 4 out of 6 eligible patients experienced a BHO, with a total of 90 patients experiencing a BHO. Of those asked to perform the BHO, 52% stated the service transition took 31-60 min compared to 24% in the control group. Controlling for the nesting of observations within physicians, IRT analysis found that BHO respondents had statistically significant greater odds of: reporting increased patient awareness of the service handoff, more certainty in the plan for each patient, less discovery of missed information, and less time needed to learn about the patient on the first day compared to control methods. Narrative responses described a more patient-centered handoff with improved communication that was time-consuming and often logistically difficult to implement. Despite its time-intensive nature, performing the service handoff at the patient's bedside may lead to a more complete and efficient service transition. Published by Elsevier Inc.

Metal-Insulator Transition in Epitaxial Pyrochlore Iridates Bi2Ir2O7 thin Films

NASA Astrophysics Data System (ADS)

Chu, Jiun-Haw; Liu, Jian; Yi, Di; Rayan-Serrao, C.; Suresha, S.; Marti, Xavi; Riggs, Scott; Shapiro, Max; Ian, Fisher; Ramesh, R.

2013-03-01

Recently there is a surge of interest in searching for topological order in correlated electronic systems such as transition metal oxides. The strong spin-orbit interaction of 5d electrons and the geometric frustration in the crystal lattice make the pyrochlore iridate(A2Ir2O7) an ideal candidate to achieve this goal. Pioneering experiments on bulk polycrystalline and single crystal samples revealed a temperature dependent metal-insulator transition coupled to a long range magnetic order, and the transition temperature can be tuned by either A-site ionic radius or an external pressure. In this talk we present our efforts to understand and control the metal-insulator transition and the underlying electronic structure of pyrochlore iridates via epitaxial Bi2Ir2O7 thin films. Bulk Bi2Ir2O7 is located at the metallic side of the phase diagram. However as the film's thickness decreases the transport evolves from a metallic to a strongly localized character. Resonant X-ray spectroscopy suggests that the density of states near Fermi level is dominated by the Ir Je ff =1/2 states. Intriguingly, the magnetoresistance shows a linear field dependence over a wide range of fields at low temperatures, which is possibly consistent with the existence of Dirac nodes.

Phenotypic plasticity and epithelial-to-mesenchymal transition in the behaviour and therapeutic response of oral squamous cell carcinoma.

PubMed

Vig, Navin; Mackenzie, Ian C; Biddle, Adrian

2015-10-01

It is increasingly recognised that phenotypic plasticity, apparently driven by epigenetic mechanisms, plays a key role in tumour behaviour and markedly influences the important processes of therapeutic survival and metastasis. An important source of plasticity in malignancy is epithelial-to-mesenchymal transition (EMT), a common epigenetically controlled event that results in transition of malignant cells between different phenotypic states that confer motility and enhance survival. In this review, we discuss the importance of phenotypic plasticity and its contribution to cellular heterogeneity in oral squamous cell carcinoma with emphasis on aspects of drug resistance and EMT. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Review on the Traction System Sensor Technology of a Rail Transit Train.

PubMed

Feng, Jianghua; Xu, Junfeng; Liao, Wu; Liu, Yong

2017-06-11

The development of high-speed intelligent rail transit has increased the number of sensors applied on trains. These play an important role in train state control and monitoring. These sensors generally work in a severe environment, so the key problem for sensor data acquisition is to ensure data accuracy and reliability. In this paper, we follow the sequence of sensor signal flow, present sensor signal sensing technology, sensor data acquisition, and processing technology, as well as sensor fault diagnosis technology based on the voltage, current, speed, and temperature sensors which are commonly used in train traction systems. Finally, intelligent sensors and future research directions of rail transit train sensors are discussed.

Review on the Traction System Sensor Technology of a Rail Transit Train

PubMed Central

Feng, Jianghua; Xu, Junfeng; Liao, Wu; Liu, Yong

2017-01-01

The development of high-speed intelligent rail transit has increased the number of sensors applied on trains. These play an important role in train state control and monitoring. These sensors generally work in a severe environment, so the key problem for sensor data acquisition is to ensure data accuracy and reliability. In this paper, we follow the sequence of sensor signal flow, present sensor signal sensing technology, sensor data acquisition, and processing technology, as well as sensor fault diagnosis technology based on the voltage, current, speed, and temperature sensors which are commonly used in train traction systems. Finally, intelligent sensors and future research directions of rail transit train sensors are discussed. PMID:28604615

Transition to spatiotemporal chaos in a two-dimensional hydrodynamic system.

PubMed

Pirat, Christophe; Naso, Aurore; Meunier, Jean-Louis; Maïssa, Philippe; Mathis, Christian

2005-04-08

We study the transition to spatiotemporal chaos in a two-dimensional hydrodynamic experiment where liquid columns take place in the gravity induced instability of a liquid film. The film is formed below a plane grid which is used as a porous media and is continuously supplied with a controlled flow rate. This system can be either ordered (on a hexagonal structure) or disordered depending on the flow rate. We observe, for the first time in an initially structured state, a subcritical transition to spatiotemporal disorder which arises through spatiotemporal intermittency. Statistics of numbers, creations, and fusions of columns are investigated. We exhibit a critical behavior close to the directed percolation one.

Electrically controlled crossing of energy levels in quantum dots in two-dimensional topological insulators

NASA Astrophysics Data System (ADS)

Sukhanov, Aleksei A.

2017-05-01

We study the energy spectra of bound states in quantum dots (QDs) formed by an electrostatic potential in two-dimensional topological insulator (TI) and their transformation with changes in QD depth and radius. It is found that, unlike a trivial insulator, the energy difference between the levels of the ground state and first excited state can decrease with decreasing the radius and increasing the depth of the QD so that these levels intersect under some critical condition. The crossing of the levels results in unusual features of optical properties caused by intraceneter electron transitions. In particular, it leads to significant changes of light absorption due to electron transitions between such levels and to the transient electroluminescence induced by electrical tuning of QD and TI parameters. In the case of magnetic TIs, the polarization direction of the absorbed or emitted circularly polarized light is changed due to the level crossing.

Facilitation of epileptic activity during sleep is mediated by high amplitude slow waves

PubMed Central

von Ellenrieder, Nicolás; Ferrari-Marinho, Taissa; Avoli, Massimo; Dubeau, François; Gotman, Jean

2015-01-01

Epileptic discharges in focal epilepsy are frequently activated during non-rapid eye movement sleep. Sleep slow waves are present during this stage and have been shown to include a deactivated (‘down’, hyperpolarized) and an activated state (‘up’, depolarized). The ‘up’ state enhances physiological rhythms, and we hypothesize that sleep slow waves and particularly the ‘up’ state are the specific components of non-rapid eye movement sleep that mediate the activation of epileptic activity. We investigated eight patients with pharmaco-resistant focal epilepsies who underwent combined scalp-intracerebral electroencephalography for diagnostic evaluation. We analysed 259 frontal electroencephalographic channels, and manually marked 442 epileptic spikes and 8487 high frequency oscillations during high amplitude widespread slow waves, and during matched control segments with low amplitude widespread slow waves, non-widespread slow waves or no slow waves selected during the same sleep stages (total duration of slow wave and control segments: 49 min each). During the slow waves, spikes and high frequency oscillations were more frequent than during control segments (79% of spikes during slow waves and 65% of high frequency oscillations, both P ∼ 0). The spike and high frequency oscillation density also increased for higher amplitude slow waves. We compared the density of spikes and high frequency oscillations between the ‘up’ and ‘down’ states. Spike and high frequency oscillation density was highest during the transition from the ‘up’ to the ‘down’ state. Interestingly, high frequency oscillations in channels with normal activity expressed a different peak at the transition from the ‘down’ to the ‘up’ state. These results show that the apparent activation of epileptic discharges by non-rapid eye movement sleep is not a state-dependent phenomenon but is predominantly associated with specific events, the high amplitude widespread slow waves that are frequent, but not continuous, during this state of sleep. Both epileptic spikes and high frequency oscillations do not predominate, like physiological activity, during the ‘up’ state but during the transition from the ‘up’ to the ‘down’ state of the slow wave, a period of high synchronization. Epileptic discharges appear therefore more associated with synchronization than with excitability. Furthermore, high frequency oscillations in channels devoid of epileptic activity peak differently during the slow wave cycle from those in channels with epileptic activity. This property may allow differentiating physiological from pathological high frequency oscillations, a problem that is unresolved until now. PMID:25792528

Preparation of the polyelectrolyte complex hydrogel of biopolymers via a semi-dissolution acidification sol-gel transition method and its application in solid-state supercapacitors

NASA Astrophysics Data System (ADS)

Zhao, Jian; Chen, Yu; Yao, Ying; Tong, Zong-Rui; Li, Pu-Wang; Yang, Zi-Ming; Jin, Shao-Hua

2018-02-01

Hydrogels have drawn many attentions as the solid-state electrolytes in flexible solid-state supercapacitors (SCs) recently. Among them, the polyelectrolyte complex hydrogel (PECH) electrolytes of natural polymers are more competitive because of their environmentally friendly property and low cost. However, while mixing two biopolymer solutions with opposite charges, the strong electrostatic interactions between the cationic and anionic biopolymers may result in precipitates instead of hydrogels. Here we report a novel method, semi-dissolution acidification sol-gel transition (SD-A-SGT), for the preparation of the PECH of chitosan (CTS) and sodium alginate (SA), with the controllable sol-gel transition and uniform composition and successfully apply it as the hydrogel electrolyte of solid-state supercapacitors (SCs). The CTS-SA PECH exhibits an extremely high ionic conductivity of 0.051 S·cm-1 and reasonable mechanical properties with a tensile strength of 0.29 MPa and elongation at break of 109.5%. The solid-state SC fabricated with the CTS-SA PECH and conventional polyaniline (PANI) nanowire electrodes provided a high specific capacitance of 234.6 F·g-1 at 5 mV·s-1 and exhibited excellent cycling stability with 95.3% capacitance retention after 1000 cycles. Our work may pave a novel avenue to the preparation of biodegradable PECHs of full natural polymers, and promote the development of environmentally friendly electronic devices.

Physiological coherence in healthy volunteers during laboratory-induced stress and controlled breathing.

PubMed

Mejía-Mejía, Elisa; Torres, Robinson; Restrepo, Diana

2018-06-01

Physiological coherence has been related with a general sense of well-being and improvements in health and physical, social, and cognitive performance. The aim of this study was to evaluate the relationship between acute stress, controlled breathing, and physiological coherence, and the degree of body systems synchronization during a coherence-generation exercise. Thirty-four university employees were evaluated during a 20-min test consisting of four stages of 5-min duration each, during which basal measurements were obtained (Stage 1), acute stress was induced using validated mental stressors (Stroop test and mental arithmetic task, during Stage 2 and 3, respectively), and coherence states were generated using a controlled breathing technique (Stage 4). Physiological coherence and cardiorespiratory synchronization were assessed during each stage from heart rate variability, pulse transit time, and respiration. Coherence measurements derived from the three analyzed variables increased during controlled respiration. Moreover, signals synchronized during the controlled breathing stage, implying a cardiorespiratory synchronization was achieved by most participants. Hence, physiological coherence and cardiopulmonary synchronization, which could lead to improvements in health and better life quality, can be achieved using slow, controlled breathing exercises. Meanwhile, coherence measured during basal state and stressful situations did not show relevant differences using heart rate variability and pulse transit time. More studies are needed to evaluate the ability of coherence ratio to reflect acute stress. © 2017 Society for Psychophysiological Research.

Transition to academic nurse educator: a survey exploring readiness, confidence, and locus of control.

PubMed

Goodrich, Robin S

2014-01-01

The purpose of this study was to describe nurse transition to the role of academic nurse educator and to investigate the resources and barriers that nurses experience during this career transition, specifically the relationships among levels of readiness, confidence, personal control, support, decision independence, general self-esteem, and work locus of control. A convenience sample of registered nurses in the United States (N = 541) who hold current full-time employment at an accredited nursing program granting baccalaureate or higher degrees was utilized. Subjects were recruited via electronic mail and answered an on-line survey. Pearson product-moment correlation and multivariate analysis of variance were used for statistical calculations. Results indicated significant, positive relationships among all the variables except readiness and personal control (p = .01). Significant differences were found in amount of time that nurses were in the role of academic nurse educator and the demographic variables of number of children, marital status, and highest degree held. The results of this study provide evidence to support and enhance processes to develop and retain nurse academicians, to promote excellence in the academic nurse educator role, and to advance the science and practice of the profession. © 2014.

Steady state and time resolved optical characterization studies of Zn 2SnO 4 nanowires for solar cell applications

DOE PAGES

Yakami, Baichhabi R.; Poudyal, Uma; Nandyala, Shashank R.; ...

2016-10-25

Nanowires are a promising option for sensitized solar cells, sensors, and display technology. Most of the work thus far has focused on binary oxides for these nanowires, but ternary oxides have advantages in additional control of optical and electronic properties. Here, we report on the diffuse reflectance, Low Temperature and Room Temperature Photoluminescence (PL), PL excitation spectrum, and Time Resolved PL (TRPL) of Zinc Tin Oxide (ZTO) nanowires grown by Chemical Vapor Deposition. The PL from the ZTO nanowires does not exhibit any band gap or near gap emission, and the diffuse reflectance measurement confirms that these ZTO nanowires havemore » a direct forbidden transition. The broad PL spectrum reveals two Gaussian peaks centered at 1.86 eV (red) and 2.81 eV (blue), representing two distinct defect states or complexes. The PL spectra were further studied by the Time Resolved Emission Spectrum and intensity dependent PL and TRPL. The time resolved measurements show complex non-exponential decays at all wavelengths, indicative of defect to defect transitions, and the red emissive states decay much slower than the blue emissive states. The effects of annealing in air and vacuum are studied to investigate the origin of the defect states in the nanowires, showing that the blue states are related to oxygen vacancies. We propose an energy band model for the nanowires containing defect states within the band gap and the associated transitions between these states that are consistent with our measurements.« less

Steady state and time resolved optical characterization studies of Zn 2SnO 4 nanowires for solar cell applications

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

Yakami, Baichhabi R.; Poudyal, Uma; Nandyala, Shashank R.

Nanowires are a promising option for sensitized solar cells, sensors, and display technology. Most of the work thus far has focused on binary oxides for these nanowires, but ternary oxides have advantages in additional control of optical and electronic properties. Here, we report on the diffuse reflectance, Low Temperature and Room Temperature Photoluminescence (PL), PL excitation spectrum, and Time Resolved PL (TRPL) of Zinc Tin Oxide (ZTO) nanowires grown by Chemical Vapor Deposition. The PL from the ZTO nanowires does not exhibit any band gap or near gap emission, and the diffuse reflectance measurement confirms that these ZTO nanowires havemore » a direct forbidden transition. The broad PL spectrum reveals two Gaussian peaks centered at 1.86 eV (red) and 2.81 eV (blue), representing two distinct defect states or complexes. The PL spectra were further studied by the Time Resolved Emission Spectrum and intensity dependent PL and TRPL. The time resolved measurements show complex non-exponential decays at all wavelengths, indicative of defect to defect transitions, and the red emissive states decay much slower than the blue emissive states. The effects of annealing in air and vacuum are studied to investigate the origin of the defect states in the nanowires, showing that the blue states are related to oxygen vacancies. We propose an energy band model for the nanowires containing defect states within the band gap and the associated transitions between these states that are consistent with our measurements.« less

Abnormal sleep/wake dynamics in orexin knockout mice.

PubMed

Diniz Behn, Cecilia G; Klerman, Elizabeth B; Mochizuki, Takatoshi; Lin, Shih-Chieh; Scammell, Thomas E

2010-03-01

Narcolepsy with cataplexy is caused by a loss of orexin (hypocretin) signaling, but the physiologic mechanisms that result in poor maintenance of wakefulness and fragmented sleep remain unknown. Conventional scoring of sleep cannot reveal much about the process of transitioning between states or the variations within states. We developed an EEG spectral analysis technique to determine whether the state instability in a mouse model of narcolepsy reflects abnormal sleep or wake states, faster movements between states, or abnormal transitions between states. We analyzed sleep recordings in orexin knockout (OXKO) mice and wild type (WT) littermates using a state space analysis technique. This non-categorical approach allows quantitative and unbiased examination of sleep/wake states and state transitions. OXKO mice spent less time in deep, delta-rich NREM sleep and in active, theta-rich wake and instead spent more time near the transition zones between states. In addition, while in the midst of what should be stable wake, OXKO mice initiated rapid changes into NREM sleep with high velocities normally seen only in transition regions. Consequently, state transitions were much more frequent and rapid even though the EEG progressions during state transitions were normal. State space analysis enables visualization of the boundaries between sleep and wake and shows that narcoleptic mice have less distinct and more labile states of sleep and wakefulness. These observations provide new perspectives on the abnormal state dynamics resulting from disrupted orexin signaling and highlight the usefulness of state space analysis in understanding narcolepsy and other sleep disorders.

Microcavities coupled to multilevel atoms

NASA Astrophysics Data System (ADS)

Schmid, Sandra Isabelle; Evers, Jörg

2011-11-01

A three-level atom in the Λ configuration coupled to a microcavity is studied. The two transitions of the atom are assumed to couple to different counterpropagating mode pairs in the cavity. We analyze the dynamics both in the strong-coupling and the bad-cavity limits. We find that, compared to a two-level setup, the third atomic state and the additional control field modes crucially modify the system dynamics and enable more advanced control schemes. All results are explained using appropriate dressed-state and eigenmode representations. As potential applications, we discuss optical switching and turnstile operations and detection of particles close to the resonator surface.

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

Chen, Hang, E-mail: hangchen@mit.edu; Thill, Peter; Cao, Jianshu

In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes withmore » the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.« less

Colloquium : Emergent properties in plane view: Strong correlations at oxide interfaces

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

Chakhalian, Jak; Freeland, John W.; Millis, Andrew J.

2014-10-01

Finding new collective electronic states in materials is one of the fundamental goals of condensed matter physics. Atomic-scale superlattices formed from transition metal oxides are a particularly appealing hunting ground for new physics. In bulk form, transition metal oxides exhibit a remarkable range of magnetic, superconducting, and multiferroic phases that are of great scientific interest and are potentially capable of providing innovative energy, security, electronics, and medical technology platforms. In superlattices new states may emerge at the interfaces where dissimilar materials meet. This Colloquium illustrates the essential features that make transition metal oxide-based heterostructures an appealing discovery platform for emergentmore » properties with a few selected examples, showing how charge redistributes, magnetism and orbital polarization arises, and ferroelectric order emerges from heterostructures comprised of oxide components with nominally contradictory behavior with the aim providing insight into the creation and control of novel behavior at oxide interfaces by suitable mechanical, electrical, or optical boundary conditions and excitations.« less

Protein-surface interactions on stimuli-responsive polymeric biomaterials.

PubMed

Cross, Michael C; Toomey, Ryan G; Gallant, Nathan D

2016-03-04

Responsive surfaces: a review of the dependence of protein adsorption on the reversible volume phase transition in stimuli-responsive polymers. Specifically addressed are a widely studied subset: thermoresponsive polymers. Findings are also generalizable to other materials which undergo a similarly reversible volume phase transition. As of 2015, over 100,000 articles have been published on stimuli-responsive polymers and many more on protein-biomaterial interactions. Significantly, fewer than 100 of these have focused specifically on protein interactions with stimuli-responsive polymers. These report a clear trend of increased protein adsorption in the collapsed state compared to the swollen state. This control over protein interactions makes stimuli-responsive polymers highly useful in biomedical applications such as wound repair scaffolds, on-demand drug delivery, and antifouling surfaces. Outstanding questions are whether the protein adsorption is reversible with the volume phase transition and whether there is a time-dependence. A clear understanding of protein interactions with stimuli-responsive polymers will advance theoretical models, experimental results, and biomedical applications.

Molecular Motor-Induced Instabilities and Cross Linkers Determine Biopolymer Organization

PubMed Central

Smith, D.; Ziebert, F.; Humphrey, D.; Duggan, C.; Steinbeck, M.; Zimmermann, W.; Käs, J.

2007-01-01

All eukaryotic cells rely on the active self-organization of protein filaments to form a responsive intracellular cytoskeleton. The necessity of motility and reaction to stimuli additionally requires pathways that quickly and reversibly change cytoskeletal organization. While thermally driven order-disorder transitions are, from the viewpoint of physics, the most obvious method for controlling states of organization, the timescales necessary for effective cellular dynamics would require temperatures exceeding the physiologically viable temperature range. We report a mechanism whereby the molecular motor myosin II can cause near-instantaneous order-disorder transitions in reconstituted cytoskeletal actin solutions. When motor-induced filament sliding diminishes, the actin network structure rapidly and reversibly self-organizes into various assemblies. Addition of stable cross linkers was found to alter the architectures of ordered assemblies. These isothermal transitions between dynamic disorder and self-assembled ordered states illustrate that the interplay between passive crosslinking and molecular motor activity plays a substantial role in dynamic cellular organization. PMID:17604319

Liquid-vapor transition on patterned solid surfaces in a shear flow

NASA Astrophysics Data System (ADS)

Yao, Wenqi; Ren, Weiqing

2015-12-01

Liquids on a solid surface patterned with microstructures can exhibit the Cassie-Baxter (Cassie) state and the wetted Wenzel state. The transitions between the two states and the effects of surface topography, surface chemistry as well as the geometry of the microstructures on the transitions have been extensively studied in earlier work. However, most of these work focused on the study of the free energy landscape and the energy barriers. In the current work, we consider the transitions in the presence of a shear flow. We compute the minimum action path between the Wenzel and Cassie states using the minimum action method [W. E, W. Ren, and E. Vanden-Eijnden, Commun. Pure Appl. Math. 57, 637 (2004)]. Numerical results are obtained for transitions on a surface patterned with straight pillars. It is found that the shear flow facilitates the transition from the Wenzel state to the Cassie state, while it inhibits the transition backwards. The Wenzel state becomes unstable when the shear rate reaches a certain critical value. Two different scenarios for the Wenzel-Cassie transition are observed. At low shear rate, the transition happens via nucleation of the vapor phase at the bottom of the groove followed by its growth. At high shear rate, in contrary, the nucleation of the vapor phase occurs at the top corner of a pillar. The vapor phase grows in the direction of the flow, and the system goes through an intermediate metastable state before reaching the Cassie state.

Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol + OH reactions.

PubMed

Zheng, Jingjing; Truhlar, Donald G

2012-01-01

Complex molecules often have many structures (conformations) of the reactants and the transition states, and these structures may be connected by coupled-mode torsions and pseudorotations; some but not all structures may have hydrogen bonds in the transition state or reagents. A quantitative theory of the reaction rates of complex molecules must take account of these structures, their coupled-mode nature, their qualitatively different character, and the possibility of merging reaction paths at high temperature. We have recently developed a coupled-mode theory called multi-structural variational transition state theory (MS-VTST) and an extension, called multi-path variational transition state theory (MP-VTST), that includes a treatment of the differences in the multi-dimensional tunneling paths and their contributions to the reaction rate. The MP-VTST method was presented for unimolecular reactions in the original paper and has now been extended to bimolecular reactions. The MS-VTST and MP-VTST formulations of variational transition state theory include multi-faceted configuration-space dividing surfaces to define the variational transition state. They occupy an intermediate position between single-conformation variational transition state theory (VTST), which has been used successfully for small molecules, and ensemble-averaged variational transition state theory (EA-VTST), which has been used successfully for enzyme kinetics. The theories are illustrated and compared here by application to three thermal rate constants for reactions of ethanol with hydroxyl radical--reactions with 4, 6, and 14 saddle points.

Response of the Lattice across the Filling-Controlled Mott Metal-Insulator Transition of a Rare Earth Titanate

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

Kim, Honggyu; Marshall, Patrick B.; Ahadi, Kaveh

The lattice response of a prototype Mott insulator, SmTiO 3, to hole doping is investigated with atomic-scale spatial resolution. SmTiO 3 films are doped with Sr on the Sm site with concentrations that span the insulating and metallic sides of the filling-controlled Mott metal-insulator transition (MIT). The GdFeO 3-type distortions are investigated using an atomic resolution scanning transmission electron microscopy technique that can resolve small lattice distortions with picometer precision. We show that these distortions are gradually and uniformly reduced as the Sr concentration is increased without any phase separation. Significant distortions persist into the metallic state. In conclusion, themore » results present a new picture of the physics of this prototype filling-controlled MIT, which is discussed.« less

Response of the Lattice across the Filling-Controlled Mott Metal-Insulator Transition of a Rare Earth Titanate

DOE PAGES

Kim, Honggyu; Marshall, Patrick B.; Ahadi, Kaveh; ...

2017-11-02

The lattice response of a prototype Mott insulator, SmTiO 3, to hole doping is investigated with atomic-scale spatial resolution. SmTiO 3 films are doped with Sr on the Sm site with concentrations that span the insulating and metallic sides of the filling-controlled Mott metal-insulator transition (MIT). The GdFeO 3-type distortions are investigated using an atomic resolution scanning transmission electron microscopy technique that can resolve small lattice distortions with picometer precision. We show that these distortions are gradually and uniformly reduced as the Sr concentration is increased without any phase separation. Significant distortions persist into the metallic state. In conclusion, themore » results present a new picture of the physics of this prototype filling-controlled MIT, which is discussed.« less

CellTrans: An R Package to Quantify Stochastic Cell State Transitions.

PubMed

Buder, Thomas; Deutsch, Andreas; Seifert, Michael; Voss-Böhme, Anja

2017-01-01

Many normal and cancerous cell lines exhibit a stable composition of cells in distinct states which can, e.g., be defined on the basis of cell surface markers. There is evidence that such an equilibrium is associated with stochastic transitions between distinct states. Quantifying these transitions has the potential to better understand cell lineage compositions. We introduce CellTrans, an R package to quantify stochastic cell state transitions from cell state proportion data from fluorescence-activated cell sorting and flow cytometry experiments. The R package is based on a mathematical model in which cell state alterations occur due to stochastic transitions between distinct cell states whose rates only depend on the current state of a cell. CellTrans is an automated tool for estimating the underlying transition probabilities from appropriately prepared data. We point out potential analytical challenges in the quantification of these cell transitions and explain how CellTrans handles them. The applicability of CellTrans is demonstrated on publicly available data on the evolution of cell state compositions in cancer cell lines. We show that CellTrans can be used to (1) infer the transition probabilities between different cell states, (2) predict cell line compositions at a certain time, (3) predict equilibrium cell state compositions, and (4) estimate the time needed to reach this equilibrium. We provide an implementation of CellTrans in R, freely available via GitHub (https://github.com/tbuder/CellTrans).

Role of entropy and structural parameters in the spin-state transition of LaCoO3

NASA Astrophysics Data System (ADS)

Chakrabarti, Bismayan; Birol, Turan; Haule, Kristjan

2017-11-01

The spin-state transition in LaCoO3 has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent density functional theory + embedded dynamical mean field theory (DFT+DMFT). We show from first principles that LaCoO3 cannot be described by a single, pure spin state at any temperature. Instead, we observe a gradual change in the population of higher-spin multiplets with increasing temperature, with the high-spin multiplets being excited at the onset of the spin-state transition followed by the intermediate-spin multiplets being excited at the metal-insulator-transition temperature. We explicitly elucidate the critical role of lattice expansion and oxygen octahedral rotations in the spin-state transition. We also reproduce, from first principles, that the spin-state transition and the metal-insulator transition in LaCoO3 occur at different temperature scales. In addition, our results shed light on the importance of electronic entropy in driving the spin-state transition, which has so far been ignored in all first-principles studies of this material.

Energy Landscape and Transition State of Protein-Protein Association

NASA Astrophysics Data System (ADS)

Alsallaq, Ramzi; Zhou, Huan-Xiang

2006-11-01

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

Synchronization of mobile chaotic oscillator networks

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

Fujiwara, Naoya, E-mail: fujiwara@csis.u-tokyo.ac.jp; Kurths, Jürgen; Díaz-Guilera, Albert

We study synchronization of systems in which agents holding chaotic oscillators move in a two-dimensional plane and interact with nearby ones forming a time dependent network. Due to the uncertainty in observing other agents' states, we assume that the interaction contains a certain amount of noise that turns out to be relevant for chaotic dynamics. We find that a synchronization transition takes place by changing a control parameter. But this transition depends on the relative dynamic scale of motion and interaction. When the topology change is slow, we observe an intermittent switching between laminar and burst states close to themore » transition due to small noise. This novel type of synchronization transition and intermittency can happen even when complete synchronization is linearly stable in the absence of noise. We show that the linear stability of the synchronized state is not a sufficient condition for its stability due to strong fluctuations of the transverse Lyapunov exponent associated with a slow network topology change. Since this effect can be observed within the linearized dynamics, we can expect such an effect in the temporal networks with noisy chaotic oscillators, irrespective of the details of the oscillator dynamics. When the topology change is fast, a linearized approximation describes well the dynamics towards synchrony. These results imply that the fluctuations of the finite-time transverse Lyapunov exponent should also be taken into account to estimate synchronization of the mobile contact networks.« less

Ferroelectric polarization induces electronic nonlinearity in ion-doped conducting polymers

PubMed Central

Fabiano, Simone; Sani, Negar; Kawahara, Jun; Kergoat, Loïg; Nissa, Josefin; Engquist, Isak; Crispin, Xavier; Berggren, Magnus

2017-01-01

Poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) is an organic mixed ion-electron conducting polymer. The PEDOT phase transports holes and is redox-active, whereas the PSS phase transports ions. When PEDOT is redox-switched between its semiconducting and conducting state, the electronic and optical properties of its bulk are controlled. Therefore, it is appealing to use this transition in electrochemical devices and to integrate those into large-scale circuits, such as display or memory matrices. Addressability and memory functionality of individual devices, within these matrices, are typically achieved by nonlinear current-voltage characteristics and bistability—functions that can potentially be offered by the semiconductor-conductor transition of redox polymers. However, low conductivity of the semiconducting state and poor bistability, due to self-discharge, make fast operation and memory retention impossible. We report that a ferroelectric polymer layer, coated along the counter electrode, can control the redox state of PEDOT. The polarization switching characteristics of the ferroelectric polymer, which take place as the coercive field is overcome, introduce desired nonlinearity and bistability in devices that maintain PEDOT in its highly conducting and fast-operating regime. Memory functionality and addressability are demonstrated in ferro-electrochromic display pixels and ferro-electrochemical transistors. PMID:28695197

26 CFR 1.148-11 - Effective dates.

Code of Federal Regulations, 2010 CFR

2010-04-01

... provisions retroactively. (d) Transition rule excepting certain state guarantee funds from the definition of replacement proceeds—(1) Certain perpetual trust funds. A guarantee by a fund created and controlled by a... nonfinancial assets, revenues derived from these assets, gifts, and bequests; (ii) The corpus of the guarantee...

The ULT trxG Fatcors play a role in Arabidopsis Fertilization

USDA-ARS?s Scientific Manuscript database

Trithorax group (trxG) and Polycomb group (PcG) proteins are epigenetic modifiers that play key roles in eukaryotic development by promoting active or repressive gene expression states, respectively. Although PcG proteins have well-defined roles in controlling developmental transitions, cell fate de...

The multiuniverse transition in superfluid 3He

NASA Astrophysics Data System (ADS)

Bunkov, Yury

2013-10-01

The symmetry-breaking phase transitions of the universe and of superfluid 3He may lead to the formation of different states with different order parameters. In both cases the energy potential below the transition temperature has a complicated multidimensional profile with many local minima and saddle points, which correspond to different states. Consequently, not only topological defects, but also islands of different metastable states can be created. Using 3He we can analyse the properties and experimental consequences of such transitions and, in particular, the first-order phase transition between the two low symmetry states.

The multiuniverse transition in superfluid 3He.

PubMed

Bunkov, Yury

2013-10-09

The symmetry-breaking phase transitions of the universe and of superfluid (3)He may lead to the formation of different states with different order parameters. In both cases the energy potential below the transition temperature has a complicated multidimensional profile with many local minima and saddle points, which correspond to different states. Consequently, not only topological defects, but also islands of different metastable states can be created. Using (3)He we can analyse the properties and experimental consequences of such transitions and, in particular, the first-order phase transition between the two low symmetry states.

Ordering transition in salt-doped diblock copolymers

DOE PAGES

Qin, Jian; de Pablo, Juan J.

2016-04-26

Lithium salt-doped block copolymers offer promise for applications as solid electrolytes in lithium ion batteries. Control of the conductivity and mechanical properties of these materials, for membrane applications relies critically on the ability to predict and manipulate their microphase separation temperature. Past attempts to predict the so-called "order-disorder transition temperature" of copolymer electrolytes have relied on approximate treatments of electrostatic interactions. In this work, we introduce a coarse-grained simulation model that treats Coulomb interactions explicitly, and we use it to investigate the ordering transition of charged block copolymers. The order-disorder transition temperature is determined from the ordering free energy, whichmore » we calculate with a high level of precision using a density-of-states approach. Our calculations allow us to discern a delicate competition between two physical effects: ion association, which raises the transition temperature, and solvent dilution, which lowers the transition temperature. Lastly, in the intermediate salt concentration regime, our results predict that the order-disorder transition temperature increases with salt content, in agreement with available experimental data.« less

Arbitrary Dicke-State Control of Symmetric Rydberg Ensembles

NASA Astrophysics Data System (ADS)

Deutsch, Ivan

2017-04-01

We study the production of arbitrary superpositions of Dicke states via optimal control. We show that N atomic hyperfine qubits, interacting symmetrically via the Rydberg blockade, are well described by the Jaynes-Cummings Model (JCM), familiar in cavity QED. In this isomorphism, the presence or absence of a collective Rydberg excitation plays the role of the two-level system and the number of symmetric excitations of the hyperfine qubits plays the role of the bosonic excitations of the JCM. This system is fully controllable through the addition of phase-modulated microwaves that drive transitions between the Rydberg-dressed states. In the weak dressing regime, this results in a single-axis twisting Hamiltonian, plus time-dependent rotations of the collective spin. For strong dressing we control the entire Jaynes-Cummings ladder. Using optimal control, we design microwave waveforms that can generate arbitrary states in the symmetric subspace. This includes cat states, Dicke states, and spin squeezed states. With currently feasible parameters, it is possible to generate arbitrary symmetric states of _10 hyperfine qubits in 1 microsec, assuming a fast microwave phase switching time. The same control can be achieved with a ``dressed-ground control'' scheme, which reduces the demands for fast phase switching at the expense of increased total control time. More generally, we can achieve control on larger ensembles of qubits by designing waveforms that are bandwidth limited within the coherence time of the system. We use this to study general questions of the ``quantum speed limit'' and information content in a waveform that is needed to generate arbitrary quantum states.

First Principles Study on Topological-Phase Transition in Ferroelectric Oxides

NASA Astrophysics Data System (ADS)

Yamauchi, Kunihiko; Barone, Paolo; Picozzi, Silvia

Graphene is known as a 2D topological insulator with zero energy gap and Dirac cone. In this study, we theoretically designed a honeycomb structure of Au ions embedded in a ferroelectric host oxide, in order to exploit structural distortions to control topological properties. We show that the polar structural distortion induces the emergence of spin-valley coupling, together with a topological transition from a quantum spin-Hall insulating phase to a trivial band insulator. The phase transition also affects the Berry curvature and spin-valley selection rules. Analogously to graphene, the microscopic origin of this topological phase is ascribed to a spin-valley-sublattice coupling, which arises from the interplay between trigonal crystal field and an ``effective'' spin-orbit interaction due to virtual excitations between eg and t2g states of transition-metal ions.

Van der Waals model for phase transitions in thermoresponsive surface films.

PubMed

McCoy, John D; Curro, John G

2009-05-21

Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.

Quantum Monte Carlo calculations of electromagnetic transitions in $^8$Be with meson-exchange currents derived from chiral effective field theory

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

Pastore, S.; Wiringa, Robert B.; Pieper, Steven C.

2014-08-01

We report quantum Monte Carlo calculations of electromagnetic transitions inmore » $^8$Be. The realistic Argonne $$v_{18}$$ two-nucleon and Illinois-7 three-nucleon potentials are used to generate the ground state and nine excited states, with energies that are in excellent agreement with experiment. A dozen $M1$ and eight $E2$ transition matrix elements between these states are then evaluated. The $E2$ matrix elements are computed only in impulse approximation, with those transitions from broad resonant states requiring special treatment. The $M1$ matrix elements include two-body meson-exchange currents derived from chiral effective field theory, which typically contribute 20--30\\% of the total expectation value. Many of the transitions are between isospin-mixed states; the calculations are performed for isospin-pure states and then combined with the empirical mixing coefficients to compare to experiment. In general, we find that transitions between states that have the same dominant spatial symmetry are in decent agreement with experiment, but those transitions between different spatial symmetries are often significantly underpredicted.« less

The folding transition state of Protein L is extensive with non-native interactions (and not small and polarized)

PubMed Central

Yoo, Tae Yeon; Adhikari, Aashish; Xia, Zhen; Huynh, Tien; Freed, Karl F.; Zhou, Ruhong; Sosnick, Tobin R.

2012-01-01

Progress in understanding protein folding relies heavily upon an interplay between experiment and theory. In particular, readily interpretable experimental data are required that can be meaningfully compared to simulations. According to standard mutational φ analysis, the transition state for Protein L contains only a single hairpin. However, we demonstrate here using ψ analysis with engineered metal ion binding sites that the transition state is extensive, containing the entire four-stranded β sheet. Underreporting of the structural content of the transition state by φ analysis also occurs for acyl phosphatase1, ubiquitin2 and BdpA3. The carboxy terminal hairpin in the transition state of Protein L is found to be non-native, a significant result that agrees with our PDB-based backbone sampling and all-atom simulations. The non-native character partially explains the failure of accepted experimental and native-centric computational approaches to adequately describe the transition state. Hence, caution is required even when an apparent agreement exists between experiment and theory, thus highlighting the importance of having alternative methods for characterizing transition states. PMID:22522126

Signals from the brainstem sleep/wake centers regulate behavioral timing via the circadian clock.

PubMed

Abbott, Sabra M; Arnold, Jennifer M; Chang, Qing; Miao, Hai; Ota, Nobutoshi; Cecala, Christine; Gold, Paul E; Sweedler, Jonathan V; Gillette, Martha U

2013-01-01

Sleep-wake cycling is controlled by the complex interplay between two brain systems, one which controls vigilance state, regulating the transition between sleep and wake, and the other circadian, which communicates time-of-day. Together, they align sleep appropriately with energetic need and the day-night cycle. Neural circuits connect brain stem sites that regulate vigilance state with the suprachiasmatic nucleus (SCN), the master circadian clock, but the function of these connections has been unknown. Coupling discrete stimulation of pontine nuclei controlling vigilance state with analytical chemical measurements of intra-SCN microdialysates in mouse, we found significant neurotransmitter release at the SCN and, concomitantly, resetting of behavioral circadian rhythms. Depending upon stimulus conditions and time-of-day, SCN acetylcholine and/or glutamate levels were augmented and generated shifts of behavioral rhythms. These results establish modes of neurochemical communication from brain regions controlling vigilance state to the central circadian clock, with behavioral consequences. They suggest a basis for dynamic integration across brain systems that regulate vigilance states, and a potential vulnerability to altered communication in sleep disorders.

Charge reconfiguration in arrays of quantum dots

NASA Astrophysics Data System (ADS)

Bayer, Johannes C.; Wagner, Timo; Rugeramigabo, Eddy P.; Haug, Rolf J.

2017-12-01

Semiconductor quantum dots are potential building blocks for scalable qubit architectures. Efficient control over the exchange interaction and the possibility of coherently manipulating electron states are essential ingredients towards this goal. We studied experimentally the shuttling of electrons trapped in serial quantum dot arrays isolated from the reservoirs. The isolation hereby enables a high degree of control over the tunnel couplings between the quantum dots, while electrons can be transferred through the array by gate voltage variations. Model calculations are compared with our experimental results for double, triple, and quadruple quantum dot arrays. We are able to identify all transitions observed in our experiments, including cotunneling transitions between distant quantum dots. The shuttling of individual electrons between quantum dots along chosen paths is demonstrated.

Tuning near field radiative heat flux through surface excitations with a metal insulator transition.

PubMed

van Zwol, P J; Ranno, L; Chevrier, J

2012-06-08

The control of heat flow is a formidable challenge due to lack of good thermal insulators. Promising new opportunities for heat flow control were recently theoretically discovered for radiative heat flow in near field, where large heat flow contrasts may be achieved by tuning electronic excitations on surfaces. Here we show experimentally that the phase transition of VO2 entails a change of surface polariton states that significantly affects radiative heat transfer in near field. In all cases the Derjaguin approximation correctly predicted radiative heat transfer in near field, but it underestimated the far field limit. Our results indicate that heat flow contrasts can be realized in near field that can be larger than those obtained in far field.

Influence of image charge effect on impurity-related optical absorption coefficients and refractive index changes in a spherical quantum dot

NASA Astrophysics Data System (ADS)

Vartanian, A. L.; Asatryan, A. L.; Vardanyan, L. A.

2017-03-01

We have investigated the influence of an image charge effect (ICE) on the energies of the ground and first few excited states of a hydrogen-like impurity in a spherical quantum dot (QD) in the presence of an external electric field. The oscillator strengths of transitions from the 1 s -like state to excited states of 2px and 2pz symmetries are calculated as the functions of the strengths of the confinement potential and the electric field. Also, we have studied the effect of image charges on linear and third-order nonlinear optical absorption coefficients and refractive index changes (RICs). The results show that image charges lead to the decrease of energies for all the hydrogen-like states, to the significant enhancement of the oscillator strengths of transitions between the impurity states, and to comparatively large blue shifts in linear, nonlinear, and total absorption coefficients and refractive index changes. Our results indicate that the total optical characteristics can be controlled by the strength of the confinement and the electric field.

Tunneling anisotropic magnetoresistance driven by magnetic phase transition.

PubMed

Chen, X Z; Feng, J F; Wang, Z C; Zhang, J; Zhong, X Y; Song, C; Jin, L; Zhang, B; Li, F; Jiang, M; Tan, Y Z; Zhou, X J; Shi, G Y; Zhou, X F; Han, X D; Mao, S C; Chen, Y H; Han, X F; Pan, F

2017-09-06

The independent control of two magnetic electrodes and spin-coherent transport in magnetic tunnel junctions are strictly required for tunneling magnetoresistance, while junctions with only one ferromagnetic electrode exhibit tunneling anisotropic magnetoresistance dependent on the anisotropic density of states with no room temperature performance so far. Here, we report an alternative approach to obtaining tunneling anisotropic magnetoresistance in α'-FeRh-based junctions driven by the magnetic phase transition of α'-FeRh and resultantly large variation of the density of states in the vicinity of MgO tunneling barrier, referred to as phase transition tunneling anisotropic magnetoresistance. The junctions with only one α'-FeRh magnetic electrode show a magnetoresistance ratio up to 20% at room temperature. Both the polarity and magnitude of the phase transition tunneling anisotropic magnetoresistance can be modulated by interfacial engineering at the α'-FeRh/MgO interface. Besides the fundamental significance, our finding might add a different dimension to magnetic random access memory and antiferromagnet spintronics.Tunneling anisotropic magnetoresistance is promising for next generation memory devices but limited by the low efficiency and functioning temperature. Here the authors achieved 20% tunneling anisotropic magnetoresistance at room temperature in magnetic tunnel junctions with one α'-FeRh magnetic electrode.

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

DOE PAGES

Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

2015-04-28

Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique valuemore » but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.« less

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

NASA Astrophysics Data System (ADS)

Wang, Chi-Jen; Liu, Da-Jiang; Evans, James W.

2015-04-01

Threshold versions of Schloegl's model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

Cell population structure prior to bifurcation predicts efficiency of directed differentiation in human induced pluripotent cells

PubMed Central

Bargaje, Rhishikesh; Trachana, Kalliopi; Shelton, Martin N.; McGinnis, Christopher S.; Zhou, Joseph X.; Chadick, Cora; Cook, Savannah; Cavanaugh, Christopher; Huang, Sui; Hood, Leroy

2017-01-01

Steering the differentiation of induced pluripotent stem cells (iPSCs) toward specific cell types is crucial for patient-specific disease modeling and drug testing. This effort requires the capacity to predict and control when and how multipotent progenitor cells commit to the desired cell fate. Cell fate commitment represents a critical state transition or “tipping point” at which complex systems undergo a sudden qualitative shift. To characterize such transitions during iPSC to cardiomyocyte differentiation, we analyzed the gene expression patterns of 96 developmental genes at single-cell resolution. We identified a bifurcation event early in the trajectory when a primitive streak-like cell population segregated into the mesodermal and endodermal lineages. Before this branching point, we could detect the signature of an imminent critical transition: increase in cell heterogeneity and coordination of gene expression. Correlation analysis of gene expression profiles at the tipping point indicates transcription factors that drive the state transition toward each alternative cell fate and their relationships with specific phenotypic readouts. The latter helps us to facilitate small molecule screening for differentiation efficiency. To this end, we set up an analysis of cell population structure at the tipping point after systematic variation of the protocol to bias the differentiation toward mesodermal or endodermal cell lineage. We were able to predict the proportion of cardiomyocytes many days before cells manifest the differentiated phenotype. The analysis of cell populations undergoing a critical state transition thus affords a tool to forecast cell fate outcomes and can be used to optimize differentiation protocols to obtain desired cell populations. PMID:28167799

Cell population structure prior to bifurcation predicts efficiency of directed differentiation in human induced pluripotent cells.

PubMed

Bargaje, Rhishikesh; Trachana, Kalliopi; Shelton, Martin N; McGinnis, Christopher S; Zhou, Joseph X; Chadick, Cora; Cook, Savannah; Cavanaugh, Christopher; Huang, Sui; Hood, Leroy

2017-02-28

Steering the differentiation of induced pluripotent stem cells (iPSCs) toward specific cell types is crucial for patient-specific disease modeling and drug testing. This effort requires the capacity to predict and control when and how multipotent progenitor cells commit to the desired cell fate. Cell fate commitment represents a critical state transition or "tipping point" at which complex systems undergo a sudden qualitative shift. To characterize such transitions during iPSC to cardiomyocyte differentiation, we analyzed the gene expression patterns of 96 developmental genes at single-cell resolution. We identified a bifurcation event early in the trajectory when a primitive streak-like cell population segregated into the mesodermal and endodermal lineages. Before this branching point, we could detect the signature of an imminent critical transition: increase in cell heterogeneity and coordination of gene expression. Correlation analysis of gene expression profiles at the tipping point indicates transcription factors that drive the state transition toward each alternative cell fate and their relationships with specific phenotypic readouts. The latter helps us to facilitate small molecule screening for differentiation efficiency. To this end, we set up an analysis of cell population structure at the tipping point after systematic variation of the protocol to bias the differentiation toward mesodermal or endodermal cell lineage. We were able to predict the proportion of cardiomyocytes many days before cells manifest the differentiated phenotype. The analysis of cell populations undergoing a critical state transition thus affords a tool to forecast cell fate outcomes and can be used to optimize differentiation protocols to obtain desired cell populations.

Recognition of human activity characteristics based on state transitions modeling technique

NASA Astrophysics Data System (ADS)

Elangovan, Vinayak; Shirkhodaie, Amir

2012-06-01

Human Activity Discovery & Recognition (HADR) is a complex, diverse and challenging task but yet an active area of ongoing research in the Department of Defense. By detecting, tracking, and characterizing cohesive Human interactional activity patterns, potential threats can be identified which can significantly improve situation awareness, particularly, in Persistent Surveillance Systems (PSS). Understanding the nature of such dynamic activities, inevitably involves interpretation of a collection of spatiotemporally correlated activities with respect to a known context. In this paper, we present a State Transition model for recognizing the characteristics of human activities with a link to a prior contextbased ontology. Modeling the state transitions between successive evidential events determines the activities' temperament. The proposed state transition model poses six categories of state transitions including: Human state transitions of Object handling, Visibility, Entity-entity relation, Human Postures, Human Kinematics and Distance to Target. The proposed state transition model generates semantic annotations describing the human interactional activities via a technique called Casual Event State Inference (CESI). The proposed approach uses a low cost kinect depth camera for indoor and normal optical camera for outdoor monitoring activities. Experimental results are presented here to demonstrate the effectiveness and efficiency of the proposed technique.

Virtual Machine Language 2.1

NASA Technical Reports Server (NTRS)

Riedel, Joseph E.; Grasso, Christopher A.

2012-01-01

VML (Virtual Machine Language) is an advanced computing environment that allows spacecraft to operate using mechanisms ranging from simple, time-oriented sequencing to advanced, multicomponent reactive systems. VML has developed in four evolutionary stages. VML 0 is a core execution capability providing multi-threaded command execution, integer data types, and rudimentary branching. VML 1 added named parameterized procedures, extensive polymorphism, data typing, branching, looping issuance of commands using run-time parameters, and named global variables. VML 2 added for loops, data verification, telemetry reaction, and an open flight adaptation architecture. VML 2.1 contains major advances in control flow capabilities for executable state machines. On the resource requirements front, VML 2.1 features a reduced memory footprint in order to fit more capability into modestly sized flight processors, and endian-neutral data access for compatibility with Intel little-endian processors. Sequence packaging has been improved with object-oriented programming constructs and the use of implicit (rather than explicit) time tags on statements. Sequence event detection has been significantly enhanced with multi-variable waiting, which allows a sequence to detect and react to conditions defined by complex expressions with multiple global variables. This multi-variable waiting serves as the basis for implementing parallel rule checking, which in turn, makes possible executable state machines. The new state machine feature in VML 2.1 allows the creation of sophisticated autonomous reactive systems without the need to develop expensive flight software. Users specify named states and transitions, along with the truth conditions required, before taking transitions. Transitions with the same signal name allow separate state machines to coordinate actions: the conditions distributed across all state machines necessary to arm a particular signal are evaluated, and once found true, that signal is raised. The selected signal then causes all identically named transitions in all present state machines to be taken simultaneously. VML 2.1 has relevance to all potential space missions, both manned and unmanned. It was under consideration for use on Orion.

Shape-Memory-Alloy Actuator For Flight Controls

NASA Technical Reports Server (NTRS)

Barret, Chris

1995-01-01

Report proposes use of shape-memory-alloy actuators, instead of hydraulic actuators, for aerodynamic flight-control surfaces. Actuator made of shape-memory alloy converts thermal energy into mechanical work by changing shape as it makes transitions between martensitic and austenitic crystalline phase states of alloy. Because both hot exhaust gases and cryogenic propellant liquids available aboard launch rockets, shape-memory-alloy actuators exceptionally suited for use aboard such rockets.

Near-optimal energy transitions for energy-state trajectories of hypersonic aircraft

NASA Technical Reports Server (NTRS)

Ardema, M. D.; Bowles, J. V.; Terjesen, E. J.; Whittaker, T.

1992-01-01

A problem of the instantaneous energy transition that occurs in energy-state approximation is considered. The transitions are modeled as a sequence of two load-factor bounded paths (either climb-dive or dive-climb). The boundary-layer equations associated with the energy-state dynamic model are analyzed to determine the precise location of the transition.

Quantum Control of a Nitrogen-Vacancy Center using Surface Acoustic Waves in the Resolved Sideband Limit

NASA Astrophysics Data System (ADS)

Golter, David; Oo, Thein; Amezcua, Maira; Wang, Hailin

Micro-electromechanical systems research is producing increasingly sophisticated tools for nanophononic applications. Such technology is well-suited for achieving chip-based, integrated acoustic control of solid-state quantum systems. We demonstrate such acoustic control in an important solid-state qubit, the diamond nitrogen-vacancy (NV) center. Using an interdigitated transducer to generate a surface acoustic wave (SAW) field in a bulk diamond, we observe phonon-assisted sidebands in the optical excitation spectrum of a single NV center. This exploits the strong strain sensitivity of the NV excited states. The mechanical frequencies far exceed the relevant optical linewidths, reaching the resolved-sideband regime. This enables us to use the SAW field for driving Rabi oscillations on the phonon-assisted optical transition. These results stimulate the further integration of SAW-based technologies with the NV center system.

Dynamic Forms. Part 2; Application to Aircraft Guidance

NASA Technical Reports Server (NTRS)

Meyer, George; Smith, G. Allan

1997-01-01

The paper describes a method for guiding a dynamic system through a given set of points. The paradigm is a fully automatic aircraft subject to air traffic control (ATC). The ATC provides a sequence of waypoints through which the aircraft trajectory must pass. The waypoints typically specify time, position, and velocity. The guidance problem is to synthesize a system state trajectory that satisfies both the ATC and aircraft constraints. Complications arise because the controlled process is multidimensional, multiaxis, nonlinear, highly coupled, and the state space is not flat. In addition, there is a multitude of operating modes, which may number in the hundreds. Each such mode defines a distinct state space model of the process by specifying the state space coordinatization, the partition of the controls into active controls and configuration controls, and the output map. Furthermore, mode transitions are required to be smooth. The proposed guidance algorithm is based on the inversion of the pure feedback approximation, followed by correction for the effects of zero dynamics. The paper describes the structure and major modules of the algorithm, and the performance is illustrated by several example aircraft maneuvers.

Closed-loop control of a fragile network: application to seizure-like dynamics of an epilepsy model

PubMed Central

Ehrens, Daniel; Sritharan, Duluxan; Sarma, Sridevi V.

2015-01-01

It has recently been proposed that the epileptic cortex is fragile in the sense that seizures manifest through small perturbations in the synaptic connections that render the entire cortical network unstable. Closed-loop therapy could therefore entail detecting when the network goes unstable, and then stimulating with an exogenous current to stabilize the network. In this study, a non-linear stochastic model of a neuronal network was used to simulate both seizure and non-seizure activity. In particular, synaptic weights between neurons were chosen such that the network's fixed point is stable during non-seizure periods, and a subset of these connections (the most fragile) were perturbed to make the same fixed point unstable to model seizure events; and, the model randomly transitions between these two modes. The goal of this study was to measure spike train observations from this epileptic network and then apply a feedback controller that (i) detects when the network goes unstable, and then (ii) applies a state-feedback gain control input to the network to stabilize it. The stability detector is based on a 2-state (stable, unstable) hidden Markov model (HMM) of the network, and detects the transition from the stable mode to the unstable mode from using the firing rate of the most fragile node in the network (which is the output of the HMM). When the unstable mode is detected, a state-feedback gain is applied to generate a control input to the fragile node bringing the network back to the stable mode. Finally, when the network is detected as stable again, the feedback control input is switched off. High performance was achieved for the stability detector, and feedback control suppressed seizures within 2 s after onset. PMID:25784851

Where Are the Logical Errors in the Theory of Big Bang?

NASA Astrophysics Data System (ADS)

Kalanov, Temur Z.

2015-04-01

The critical analysis of the foundations of the theory of Big Bang is proposed. The unity of formal logic and of rational dialectics is methodological basis of the analysis. It is argued that the starting point of the theory of Big Bang contains three fundamental logical errors. The first error is the assumption that a macroscopic object (having qualitative determinacy) can have an arbitrarily small size and can be in the singular state (i.e., in the state that has no qualitative determinacy). This assumption implies that the transition, (macroscopic object having the qualitative determinacy) --> (singular state of matter that has no qualitative determinacy), leads to loss of information contained in the macroscopic object. The second error is the assumption that there are the void and the boundary between matter and void. But if such boundary existed, then it would mean that the void has dimensions and can be measured. The third error is the assumption that the singular state of matter can make a transition into the normal state without the existence of the program of qualitative and quantitative development of the matter, without controlling influence of other (independent) object. However, these assumptions conflict with the practice and, consequently, formal logic, rational dialectics, and cybernetics. Indeed, from the point of view of cybernetics, the transition, (singular state of the Universe) -->(normal state of the Universe),would be possible only in the case if there was the Managed Object that is outside the Universe and have full, complete, and detailed information about the Universe. Thus, the theory of Big Bang is a scientific fiction.

An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection.

PubMed

Nandipati, K R; Lan, Z; Singh, H; Mahapatra, S

2017-06-07

A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S 0 - 1 πσ * (A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.

An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection

PubMed Central

Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.

2017-01-01

A first principles quantum dynamics study of N–H photodissociation of pyrrole on the S0−1πσ*(A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation. PMID:28595406

An alternative laser driven photodissociation mechanism of pyrrole via π*1σ/S0 conical intersection

NASA Astrophysics Data System (ADS)

Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.

2017-06-01

A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S0-1π σ*(A12) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the π*1σ state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the π*1σ photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.

Youth and administrator perspectives on transition in Kentucky's state agency schools.

PubMed

Marshall, Amy; Powell, Norman; Pierce, Doris; Nolan, Ronnie; Fehringer, Elaine

2012-01-01

Students, a large percentage with disabilities, are at high risk for poor post-secondary outcomes in state agency education programs. This mixed-methods study describes the understandings of student transitions in state agency education programs from the perspectives of youth and administrators. Results indicated that: transition is more narrowly defined within alternative education programs; key strengths of transition practice are present in nontraditional schools; and the coordination barriers within this fluid inter-agency transition system are most apparent in students' frequent inter-setting transitions between nontraditional and home schools.

Stereochemical control factors in the Hantzsch thiazole synthesis: a Hammett substitution correlation analysis.

PubMed

Qiao, Q; So, S S; Goodnow, R A

2001-11-15

[reaction--see text] It is possible to correlate the distribution of stereochemical products produced during a Hantzsch thiazole synthesis according to the Hammett free-energy equation. This analysis confirms the presumed control of the rate of epimerization during thiazole formation due to stabilization of a cationic transition state intermediate during dehydration of the thiazoline ring system. In the chemical system under study, the stereochemical outcome of the reaction also appears to occur according to a kinetically controlled protonation of a thiazoline tautomer.

Structural Control of Metabolic Flux

PubMed Central

Sajitz-Hermstein, Max; Nikoloski, Zoran

2013-01-01

Organisms have to continuously adapt to changing environmental conditions or undergo developmental transitions. To meet the accompanying change in metabolic demands, the molecular mechanisms of adaptation involve concerted interactions which ultimately induce a modification of the metabolic state, which is characterized by reaction fluxes and metabolite concentrations. These state transitions are the effect of simultaneously manipulating fluxes through several reactions. While metabolic control analysis has provided a powerful framework for elucidating the principles governing this orchestrated action to understand metabolic control, its applications are restricted by the limited availability of kinetic information. Here, we introduce structural metabolic control as a framework to examine individual reactions' potential to control metabolic functions, such as biomass production, based on structural modeling. The capability to carry out a metabolic function is determined using flux balance analysis (FBA). We examine structural metabolic control on the example of the central carbon metabolism of Escherichia coli by the recently introduced framework of functional centrality (FC). This framework is based on the Shapley value from cooperative game theory and FBA, and we demonstrate its superior ability to assign “share of control” to individual reactions with respect to metabolic functions and environmental conditions. A comparative analysis of various scenarios illustrates the usefulness of FC and its relations to other structural approaches pertaining to metabolic control. We propose a Monte Carlo algorithm to estimate FCs for large networks, based on the enumeration of elementary flux modes. We further give detailed biological interpretation of FCs for production of lactate and ATP under various respiratory conditions. PMID:24367246

Polymorphic phase transitions: Macroscopic theory and molecular simulation.

PubMed

Anwar, Jamshed; Zahn, Dirk

2017-08-01

Transformations in the solid state are of considerable interest, both for fundamental reasons and because they underpin important technological applications. The interest spans a wide spectrum of disciplines and application domains. For pharmaceuticals, a common issue is unexpected polymorphic transformation of the drug or excipient during processing or on storage, which can result in product failure. A more ambitious goal is that of exploiting the advantages of metastable polymorphs (e.g. higher solubility and dissolution rate) while ensuring their stability with respect to solid state transformation. To address these issues and to advance technology, there is an urgent need for significant insights that can only come from a detailed molecular level understanding of the involved processes. Whilst experimental approaches at best yield time- and space-averaged structural information, molecular simulation offers unprecedented, time-resolved molecular-level resolution of the processes taking place. This review aims to provide a comprehensive and critical account of state-of-the-art methods for modelling polymorph stability and transitions between solid phases. This is flanked by revisiting the associated macroscopic theoretical framework for phase transitions, including their classification, proposed molecular mechanisms, and kinetics. The simulation methods are presented in tutorial form, focusing on their application to phase transition phenomena. We describe molecular simulation studies for crystal structure prediction and polymorph screening, phase coexistence and phase diagrams, simulations of crystal-crystal transitions of various types (displacive/martensitic, reconstructive and diffusive), effects of defects, and phase stability and transitions at the nanoscale. Our selection of literature is intended to illustrate significant insights, concepts and understanding, as well as the current scope of using molecular simulations for understanding polymorphic transitions in an accessible way, rather than claiming completeness. With exciting prospects in both simulation methods development and enhancements in computer hardware, we are on the verge of accessing an unprecedented capability for designing and developing dosage forms and drug delivery systems in silico, including tackling challenges in polymorph control on a rational basis. Copyright © 2017 Elsevier B.V. All rights reserved.

Creating Educational Pathways: A Montana University Teams Up with Tribal Colleges.

ERIC Educational Resources Information Center

Trinity, Annette

1990-01-01

Describes programs at Montana State University, Bozeman, that cooperate with tribally controlled community colleges to provide opportunities for American Indian transfer students. Focuses on training in health sciences, engineering, public service, and educational administration and on efforts to ease students' transition to university life. (SV)

Utilizing Readiness Tools to Support Student Success. Fact Sheet

ERIC Educational Resources Information Center

Children Now, 2015

2015-01-01

Every teacher, principal, and school administrator wants their young students to thrive as they move through the transitional kindergarten and kindergarten years and into the early elementary grades. With the implementation of the Common Core State Standards and the Local Control Funding Formula, school districts have new opportunities to…

Folding of a LysM Domain: Entropy-Enthalpy Compensation in the Transition State of an Ideal Two-state Folder

PubMed Central

Nickson, Adrian A.; Stoll, Kate E.; Clarke, Jane

2008-01-01

Protein-engineering methods (Φ-values) were used to investigate the folding transition state of a lysin motif (LysM) domain from Escherichia coli membrane-bound lytic murein transglycosylase D. This domain consists of just 48 structured residues in a symmetrical βααβ arrangement and is the smallest αβ protein yet investigated using these methods. An extensive mutational analysis revealed a highly robust folding pathway with no detectable transition state plasticity, indicating that LysM is an example of an ideal two-state folder. The pattern of Φ-values denotes a highly polarised transition state, with significant formation of the helices but no structure within the β-sheet. Remarkably, this transition state remains polarised after circularisation of the domain, and exhibits an identical Φ-value pattern; however, the interactions within the transition state are uniformly weaker in the circular variant. This observation is supported by results from an Eyring analysis of the folding rates of the two proteins. We propose that the folding pathway of LysM is dominated by enthalpic rather than entropic considerations, and suggest that the lower entropy cost of formation of the circular transition state is balanced, to some extent, by the lower enthalpy of contacts within this structure. PMID:18538343

Fisher information approach to nonequilibrium phase transitions in a quantum XXZ spin chain with boundary noise

NASA Astrophysics Data System (ADS)

Marzolino, Ugo; Prosen, Tomaž

2017-09-01

We investigated quantum critical behaviors in the nonequilibrium steady state of a XXZ spin chain with boundary Markovian noise using Fisher information. The latter represents the distance between two infinitesimally close states, and its superextensive size scaling witnesses a critical behavior due to a phase transition since all the interaction terms are extensive. Perturbatively, in the noise strength, we found superextensive Fisher information at anisotropy |Δ |⩽1 and irrational arccosΔ/π irrespective of the order of two noncommuting limits, i.e., the thermodynamic limit and the limit of sending arccosΔ/π to an irrational number via a sequence of rational approximants. From this result we argue the existence of a nonequilibrium quantum phase transition with a critical phase |Δ |⩽1 . From the nonsuperextensivity of the Fisher information of reduced states, we infer that this nonequilibrium quantum phase transition does not have local order parameters but has nonlocal ones, at least at |Δ |=1 . In the nonperturbative regime for the noise strength, we numerically computed the reduced Fisher information which lower bounds the full-state Fisher information and is superextensive only at |Δ |=1 . From the latter result, we derived local order parameters at |Δ |=1 in the nonperturbative case. The existence of critical behavior witnessed by the Fisher information in the phase |Δ |<1 is still an open problem. The Fisher information also represents the best sensitivity for any estimation of the control parameter, in our case the anisotropy Δ , and its superextensivity implies enhanced estimation precision which is also highly robust in the presence of a critical phase.

Multivariable control altitude demonstration on the F100 turbofan engine

NASA Technical Reports Server (NTRS)

Lehtinen, B.; Dehoff, R. L.; Hackney, R. D.

1979-01-01

The F100 Multivariable control synthesis (MVCS) program, was aimed at demonstrating the benefits of LGR synthesis theory in the design of a multivariable engine control system for operation throughout the flight envelope. The advantages of such procedures include: (1) enhanced performance from cross-coupled controls, (2) maximum use of engine variable geometry, and (3) a systematic design procedure that can be applied efficiently to new engine systems. The control system designed, under the MVCS program, for the Pratt & Whitney F100 turbofan engine is described. Basic components of the control include: (1) a reference value generator for deriving a desired equilibrium state and an approximate control vector, (2) a transition model to produce compatible reference point trajectories during gross transients, (3) gain schedules for producing feedback terms appropriate to the flight condition, and (4) integral switching logic to produce acceptable steady-state performance without engine operating limit exceedance.

Smart window using a thermally and optically switchable liquid crystal cell

NASA Astrophysics Data System (ADS)

Oh, Seung-Won; Kim, Sang-Hyeok; Baek, Jong-Min; Yoon, Tae-Hoon

2018-02-01

Light shutter technologies that can control optical transparency have been studied extensively for developing curtain-free smart windows. We introduce thermally and optically switchable light shutters using LCs doped with push-pull azobenzene, which is known to speed up thermal relaxation. The liquid crystal light shutter can be switched between translucent and transparent states or transparent and opaque states by phase transition through changing temperature or photo-isomerization of doped azobenzene. The liquid crystal light shutter can be used for privacy windows with an initial translucent state or energy-saving windows with an initial transparent state.

Imitation versus payoff: Duality of the decision-making process demonstrates criticality and consensus formation

NASA Astrophysics Data System (ADS)

Turalska, M.; West, B. J.

2014-11-01

We consider a dual model of decision making, in which an individual forms its opinion based on contrasting mechanisms of imitation and rational calculation. The decision-making model (DMM) implements imitating behavior by means of a network of coupled two-state master equations that undergoes a phase transition at a critical value of a control parameter. The evolutionary spatial game, being a generalization of the prisoner's dilemma game, is used to determine in objective fashion the cooperative or anticooperative strategy adopted by individuals. Interactions between two sources of dynamics increases the domain of initial states attracted to phase transition dynamics beyond that of the DMM network in isolation. Additionally, on average the influence of the DMM on the game increases the final observed fraction of cooperators in the system.

14 CFR 375.50 - Transit flights; scheduled international air service operations.

Code of Federal Regulations, 2010 CFR

2010-01-01

... WITHIN THE UNITED STATES Transit Flights § 375.50 Transit flights; scheduled international air service operations. (a) Requirement of notice. Scheduled international air services proposed to be operated pursuant to the International Air Services Transit Agreement in transit across the United States may not be...

14 CFR 375.50 - Transit flights; scheduled international air service operations.

Code of Federal Regulations, 2011 CFR

2011-01-01

... WITHIN THE UNITED STATES Transit Flights § 375.50 Transit flights; scheduled international air service operations. (a) Requirement of notice. Scheduled international air services proposed to be operated pursuant to the International Air Services Transit Agreement in transit across the United States may not be...

14 CFR 375.50 - Transit flights; scheduled international air service operations.

Code of Federal Regulations, 2014 CFR

2014-01-01

... WITHIN THE UNITED STATES Transit Flights § 375.50 Transit flights; scheduled international air service operations. (a) Requirement of notice. Scheduled international air services proposed to be operated pursuant to the International Air Services Transit Agreement in transit across the United States may not be...

14 CFR 375.50 - Transit flights; scheduled international air service operations.

Code of Federal Regulations, 2013 CFR

2013-01-01

... WITHIN THE UNITED STATES Transit Flights § 375.50 Transit flights; scheduled international air service operations. (a) Requirement of notice. Scheduled international air services proposed to be operated pursuant to the International Air Services Transit Agreement in transit across the United States may not be...

14 CFR 375.50 - Transit flights; scheduled international air service operations.

Code of Federal Regulations, 2012 CFR

2012-01-01

... WITHIN THE UNITED STATES Transit Flights § 375.50 Transit flights; scheduled international air service operations. (a) Requirement of notice. Scheduled international air services proposed to be operated pursuant to the International Air Services Transit Agreement in transit across the United States may not be...

Many-body Quantum Control of a Spin-1 BEC

NASA Astrophysics Data System (ADS)

Hoang, Thai; Anquez, Martin; Robbins, Bryce; Yang, Xiaoyun; Land, Benjamin; Hamley, Christopher; Chapman, Michael

2014-05-01

Spin-1 condensates provide a useful platform for investigations of atom squeezing, generation of non-Gaussian states, and dynamical control. We demonstrate dynamic control of a quantum many-body spin-1 system that is enabled by strong collisional interactions. In contrast to the usual single-particle quantum control techniques, the method demonstrated here is intrinsically many-body, exploiting the strong collisional interactions. The experiment uses a spin-1 87Rb condensate initialized in the | F = 1 , mF = 0 > polar state at a high magnetic field above the quantum phase transition, and then prepared in a coherent state using a rf rotation. The many-body control is implemented by time-varying the relative strength of the Zeeman and spin interaction energies of the condensate at multiples of the natural coherent oscillation frequency of the system. This is a parametric excitation method relying on time varying changes to the Hamiltonian. We will present our experimental results, which compare well to theory, and will discuss future directions and applications.

State Transition to High-Quality, College/Career-Ready Assessments: A Workbook for State Action on Key Policy, Legal, and Technical Issues. Updated

ERIC Educational Resources Information Center

Achieve, Inc., 2013

2013-01-01

Over the next few years, states will be transitioning to new, high-quality assessments aligned to the Common Core State Standards (CCSS) or other state college- and career-ready (CCR) standards. States are committed to making this transition in a manner that is determined and thoughtful--to help transform teaching and learning, advance CCR…

Ultrafast optical snapshots of hybrid perovskites reveal the origin of multiband electronic transitions

DOE PAGES

Appavoo, Kannatassen; Nie, Wanyi; Blancon, Jean -Christophe; ...

2017-11-15

In this paper, connecting the complex electronic excitations of hybrid perovskites to their intricate organic-inorganic lattice structure has critical implications for energy conversion and optoelectronic technologies. Here we detail the multiband, multivalley electronic structure of a halide hybrid perovskite by measuring the absorption transients of a millimeter-scale-grain thin film as it undergoes a thermally controlled reversible tetragonal-to-orthogonal phase transition. Probing nearly single grains of this hybrid perovskite, we observe an unreported energy splitting (degeneracy lifting) of the high-energy 2.6 eV band in the tetragonal phase that further splits as the rotational degrees of freedom of the disordered CH 3NH 3more » + molecules are reduced when the sample is cooled. This energy splitting drastically increases during an extended phase-transition coexistence region that persists from 160 to 120 K, becoming more pronounced in the orthorhombic phase. By tracking the temperature-dependent optical transition energies and using symmetry analysis that describes the evolution of electronic states from the tetragonal phase to the orthorhombic phase, we assign this energy splitting to the nearly degenerate transitions in the tetragonal phase from both the R- and M-point-derived states. Importantly, these assignments explain how momentum conservation effects lead to long hot-carrier lifetimes in the room-temperature tetragonal phase, with faster hot-carrier relaxation when the hybrid perovskite structurally transitions to the orthorhombic phase due to enhanced scattering at the Γ point.« less

Ultrafast optical snapshots of hybrid perovskites reveal the origin of multiband electronic transitions

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

Appavoo, Kannatassen; Nie, Wanyi; Blancon, Jean -Christophe

In this paper, connecting the complex electronic excitations of hybrid perovskites to their intricate organic-inorganic lattice structure has critical implications for energy conversion and optoelectronic technologies. Here we detail the multiband, multivalley electronic structure of a halide hybrid perovskite by measuring the absorption transients of a millimeter-scale-grain thin film as it undergoes a thermally controlled reversible tetragonal-to-orthogonal phase transition. Probing nearly single grains of this hybrid perovskite, we observe an unreported energy splitting (degeneracy lifting) of the high-energy 2.6 eV band in the tetragonal phase that further splits as the rotational degrees of freedom of the disordered CH 3NH 3more » + molecules are reduced when the sample is cooled. This energy splitting drastically increases during an extended phase-transition coexistence region that persists from 160 to 120 K, becoming more pronounced in the orthorhombic phase. By tracking the temperature-dependent optical transition energies and using symmetry analysis that describes the evolution of electronic states from the tetragonal phase to the orthorhombic phase, we assign this energy splitting to the nearly degenerate transitions in the tetragonal phase from both the R- and M-point-derived states. Importantly, these assignments explain how momentum conservation effects lead to long hot-carrier lifetimes in the room-temperature tetragonal phase, with faster hot-carrier relaxation when the hybrid perovskite structurally transitions to the orthorhombic phase due to enhanced scattering at the Γ point.« less

Ultrafast optical snapshots of hybrid perovskites reveal the origin of multiband electronic transitions

NASA Astrophysics Data System (ADS)

Appavoo, Kannatassen; Nie, Wanyi; Blancon, Jean-Christophe; Even, Jacky; Mohite, Aditya D.; Sfeir, Matthew Y.

2017-11-01

Connecting the complex electronic excitations of hybrid perovskites to their intricate organic-inorganic lattice structure has critical implications for energy conversion and optoelectronic technologies. Here we detail the multiband, multivalley electronic structure of a halide hybrid perovskite by measuring the absorption transients of a millimeter-scale-grain thin film as it undergoes a thermally controlled reversible tetragonal-to-orthogonal phase transition. Probing nearly single grains of this hybrid perovskite, we observe an unreported energy splitting (degeneracy lifting) of the high-energy 2.6 eV band in the tetragonal phase that further splits as the rotational degrees of freedom of the disordered C H3N H3 + molecules are reduced when the sample is cooled. This energy splitting drastically increases during an extended phase-transition coexistence region that persists from 160 to 120 K, becoming more pronounced in the orthorhombic phase. By tracking the temperature-dependent optical transition energies and using symmetry analysis that describes the evolution of electronic states from the tetragonal phase to the orthorhombic phase, we assign this energy splitting to the nearly degenerate transitions in the tetragonal phase from both the R - and M -point-derived states. Importantly, these assignments explain how momentum conservation effects lead to long hot-carrier lifetimes in the room-temperature tetragonal phase, with faster hot-carrier relaxation when the hybrid perovskite structurally transitions to the orthorhombic phase due to enhanced scattering at the Γ point.

Complex transitions between spike, burst or chaos synchronization states in coupled neurons with coexisting bursting patterns

NASA Astrophysics Data System (ADS)

Gu, Hua-Guang; Chen, Sheng-Gen; Li, Yu-Ye

2015-05-01

We investigated the synchronization dynamics of a coupled neuronal system composed of two identical Chay model neurons. The Chay model showed coexisting period-1 and period-2 bursting patterns as a parameter and initial values are varied. We simulated multiple periodic and chaotic bursting patterns with non-(NS), burst phase (BS), spike phase (SS), complete (CS), and lag synchronization states. When the coexisting behavior is near period-2 bursting, the transitions of synchronization states of the coupled system follows very complex transitions that begins with transitions between BS and SS, moves to transitions between CS and SS, and to CS. Most initial values lead to the CS state of period-2 bursting while only a few lead to the CS state of period-1 bursting. When the coexisting behavior is near period-1 bursting, the transitions begin with NS, move to transitions between SS and BS, to transitions between SS and CS, and then to CS. Most initial values lead to the CS state of period-1 bursting but a few lead to the CS state of period-2 bursting. The BS was identified as chaos synchronization. The patterns for NS and transitions between BS and SS are insensitive to initial values. The patterns for transitions between CS and SS and the CS state are sensitive to them. The number of spikes per burst of non-CS bursting increases with increasing coupling strength. These results not only reveal the initial value- and parameter-dependent synchronization transitions of coupled systems with coexisting behaviors, but also facilitate interpretation of various bursting patterns and synchronization transitions generated in the nervous system with weak coupling strength. Project supported by the National Natural Science Foundation of China (Grant Nos. 11372224 and 11402039) and the Fundamental Research Funds for Central Universities designated to Tongji University (Grant No. 1330219127).

Status of linear boundary-layer stability and the e to the nth method, with emphasis on swept-wing applications

NASA Technical Reports Server (NTRS)

Hefner, J. N.; Bushnell, D. M.

1980-01-01

The-state-of-the-art for the application of linear stability theory and the e to the nth power method for transition prediction and laminar flow control design are summarized, with analyses of previously published low disturbance, swept wing data presented. For any set of transition data with similar stream distrubance levels and spectra, the e to the nth power method for estimating the beginning of transition works reasonably well; however, the value of n can vary significantly, depending upon variations in disturbance field or receptivity. Where disturbance levels are high, the values of n are appreciably below the usual average value of 9 to 10 obtained for relatively low disturbance levels. It is recommended that the design of laminar flow control systems be based on conservative estimates of n and that, in considering the values of n obtained from different analytical approaches or investigations, the designer explore the various assumptions which entered into the analyses.

Bubble and Slug Flow at Microgravity Conditions: State of Knowledge and Open Questions

NASA Technical Reports Server (NTRS)

Colin, C.; Fabre, J.; McQuillen, J.

1996-01-01

Based on the experiments carried out over the past decade at microgravity conditions, an overview of our current knowledge of bubbly and slug flows is presented. The transition from bubble to slug flow, the void fraction and the pressure drop are discussed from the data collected in the literature. The transition from bubble to slug flow may be predicted by introducing a critical void fraction that depends on the fluid properties and the pipe diameter; however, the role of coalescence which controls this transition is not clearly understood. The void fraction may be accurately calculated using a drift-flux model. It is shown from local measurements that the drift of the gas with respect to the mixture is due to non-uniform radial distribution of void fraction. The pressure drop happens to be controlled by the liquid flow for bubbly flow whereas for slug flow the experimental results show that pressure drops is larger than expected. From this study, the guidelines for future research in microgravity are given.

Three key residues form a critical contact network in a protein folding transition state

NASA Astrophysics Data System (ADS)

Vendruscolo, Michele; Paci, Emanuele; Dobson, Christopher M.; Karplus, Martin

2001-02-01

Determining how a protein folds is a central problem in structural biology. The rate of folding of many proteins is determined by the transition state, so that a knowledge of its structure is essential for understanding the protein folding reaction. Here we use mutation measurements-which determine the role of individual residues in stabilizing the transition state-as restraints in a Monte Carlo sampling procedure to determine the ensemble of structures that make up the transition state. We apply this approach to the experimental data for the 98-residue protein acylphosphatase, and obtain a transition-state ensemble with the native-state topology and an average root-mean-square deviation of 6Å from the native structure. Although about 20 residues with small positional fluctuations form the structural core of this transition state, the native-like contact network of only three of these residues is sufficient to determine the overall fold of the protein. This result reveals how a nucleation mechanism involving a small number of key residues can lead to folding of a polypeptide chain to its unique native-state structure.

Robust Population Inversion by Polarization Selective Pulsed Excitation

PubMed Central

Mantei, D.; Förstner, J.; Gordon, S.; Leier, Y. A.; Rai, A. K.; Reuter, D.; Wieck, A. D.; Zrenner, A.

2015-01-01

The coherent state preparation and control of single quantum systems is an important prerequisite for the implementation of functional quantum devices. Prominent examples for such systems are semiconductor quantum dots, which exhibit a fine structure split single exciton state and a V-type three level structure, given by a common ground state and two distinguishable and separately excitable transitions. In this work we introduce a novel concept for the preparation of a robust inversion by the sequential excitation in a V-type system via distinguishable paths. PMID:26000910

Catch and Release: Orbital Symmetry Guided Reaction Dynamics from a Freed “Tension Trapped Transition State”

DOE PAGES

Wang, Junpeng; Ong, Mitchell T.; Kouznetsova, Tatiana B.; ...

2015-08-31

The dynamics of reactions at or in the immediate vicinity of transition states are critical to reaction rates and product distributions, but direct experimental probes of those dynamics are rare. In this paper, s-trans, s-trans 1,3-diradicaloid transition states are trapped by tension along the backbone of purely cis-substituted gem-difluorocyclopropanated polybutadiene using the extensional forces generated by pulsed sonication of dilute polymer solutions. Once released, the branching ratio between symmetry-allowed disrotatory ring closing (of which the trapped diradicaloid structure is the transition state) and symmetry-forbidden conrotatory ring closing (whose transition state is nearby) can be inferred. Finally, net conrotatory ring closingmore » occurred in 5.0 ± 0.5% of the released transition states, in excellent agreement with ab initio molecular dynamics simulations.« less

Remote sensing of rangeland biodiversity

USDA-ARS?s Scientific Manuscript database

Rangelands are managed based on state and transition models for an ecological site. Transitions to alternative ecological states are indicative of degrading rangelands. Three key variables may be remotely sensed to detect transitions between alternative states: amount of bare soil, presence of inva...

Transition probabilities of health states for workers in Malaysia using a Markov chain model

NASA Astrophysics Data System (ADS)

Samsuddin, Shamshimah; Ismail, Noriszura

2017-04-01

The aim of our study is to estimate the transition probabilities of health states for workers in Malaysia who contribute to the Employment Injury Scheme under the Social Security Organization Malaysia using the Markov chain model. Our study uses four states of health (active, temporary disability, permanent disability and death) based on the data collected from the longitudinal studies of workers in Malaysia for 5 years. The transition probabilities vary by health state, age and gender. The results show that men employees are more likely to have higher transition probabilities to any health state compared to women employees. The transition probabilities can be used to predict the future health of workers in terms of a function of current age, gender and health state.

Transition-Metal-Controlled Inorganic Ligand-Supported Non-Precious Metal Catalysts for the Aerobic Oxidation of Amines to Imines.

PubMed

Yu, Han; Zhai, Yongyan; Dai, Guoyong; Ru, Shi; Han, Sheng; Wei, Yongge

2017-10-09

Most state-of-art transition-metal catalysts usually require organic ligands, which are essential for controlling the reactivity and selectivity of reactions catalyzed by transition metals. However, organic ligands often suffer from severe problems including cost, toxicity, air/moisture sensitivity, and being commercially unavailable. Herein, we show a simple, mild, and efficient aerobic oxidation procedure of amines using inorganic ligand-supported non-precious metal catalysts 1, (NH 4 ) n [MMo 6 O 18 (OH) 6 ] (M=Cu 2+ ; Fe 3+ ; Co 3+ ; Ni 2+ ; Zn 2+ , n=3 or 4), synthesized by a simple one-step method in water at 100 °C, demonstrating that the catalytic activity and selectivity can be significantly improved by changing the central metal atom. In the presence of these catalysts, the catalytic oxidation of primary and secondary amines, as well as the coupling of alcohols and amines, can smoothly proceed to afford various imines with O 2 (1 atm) as the sole oxidant. In particular, the catalysts 1 have transition-metal ion core, and the planar arrangement of the six Mo VI centers at their highest oxidation states around the central heterometal can greatly enhance the Lewis acidity of catalytically active sites, and also enable the electrons in the center to delocalize onto the six edge-sharing MO 6 units, in the same way as ligands in traditional organometallic complexes. The versatility of this methodology maybe opens a path to catalytic oxidation through inorganic ligand-coordinated metal catalysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using Pipelined XNOR Logic to Reduce SEU Risks in State Machines

NASA Technical Reports Server (NTRS)

Le, Martin; Zheng, Xin; Katanyoutant, Sunant

2008-01-01

Single-event upsets (SEUs) pose great threats to avionic systems state machine control logic, which are frequently used to control sequence of events and to qualify protocols. The risks of SEUs manifest in two ways: (a) the state machine s state information is changed, causing the state machine to unexpectedly transition to another state; (b) due to the asynchronous nature of SEU, the state machine's state registers become metastable, consequently causing any combinational logic associated with the metastable registers to malfunction temporarily. Effect (a) can be mitigated with methods such as triplemodular redundancy (TMR). However, effect (b) cannot be eliminated and can degrade the effectiveness of any mitigation method of effect (a). Although there is no way to completely eliminate the risk of SEU-induced errors, the risk can be made very small by use of a combination of very fast state-machine logic and error-detection logic. Therefore, one goal of two main elements of the present method is to design the fastest state-machine logic circuitry by basing it on the fastest generic state-machine design, which is that of a one-hot state machine. The other of the two main design elements is to design fast error-detection logic circuitry and to optimize it for implementation in a field-programmable gate array (FPGA) architecture: In the resulting design, the one-hot state machine is fitted with a multiple-input XNOR gate for detection of illegal states. The XNOR gate is implemented with lookup tables and with pipelines for high speed. In this method, the task of designing all the logic must be performed manually because no currently available logic synthesis software tool can produce optimal solutions of design problems of this type. However, some assistance is provided by a script, written for this purpose in the Python language (an object-oriented interpretive computer language) to automatically generate hardware description language (HDL) code from state-transition rules.

Controlling the defects and transition layer in SiO2 films grown on 4H-SiC via direct plasma-assisted oxidation

PubMed Central

Kim, Dae-Kyoung; Jeong, Kwang-Sik; Kang, Yu-Seon; Kang, Hang-Kyu; Cho, Sang W.; Kim, Sang-Ok; Suh, Dongchan; Kim, Sunjung; Cho, Mann-Ho

2016-01-01

The structural stability and electrical performance of SiO2 grown on SiC via direct plasma-assisted oxidation were investigated. To investigate the changes in the electronic structure and electrical characteristics caused by the interfacial reaction between the SiO2 film (thickness ~5 nm) and SiC, X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), density functional theory (DFT) calculations, and electrical measurements were performed. The SiO2 films grown via direct plasma-assisted oxidation at room temperature for 300s exhibited significantly decreased concentrations of silicon oxycarbides (SiOxCy) in the transition layer compared to that of conventionally grown (i.e., thermally grown) SiO2 films. Moreover, the plasma-assisted SiO2 films exhibited enhanced electrical characteristics, such as reduced frequency dispersion, hysteresis, and interface trap density (Dit ≈ 1011 cm−2 · eV−1). In particular, stress induced leakage current (SILC) characteristics showed that the generation of defect states can be dramatically suppressed in metal oxide semiconductor (MOS) structures with plasma-assisted oxide layer due to the formation of stable Si-O bonds and the reduced concentrations of SiOxCy species defect states in the transition layer. That is, energetically stable interfacial states of high quality SiO2 on SiC can be obtained by the controlling the formation of SiOxCy through the highly reactive direct plasma-assisted oxidation process. PMID:27721493

Using state-and-transition modeling to account for imperfect detection in invasive species management

USGS Publications Warehouse

Frid, Leonardo; Holcombe, Tracy; Morisette, Jeffrey T.; Olsson, Aaryn D.; Brigham, Lindy; Bean, Travis M.; Betancourt, Julio L.; Bryan, Katherine

2013-01-01

Buffelgrass, a highly competitive and flammable African bunchgrass, is spreading rapidly across both urban and natural areas in the Sonoran Desert of southern and central Arizona. Damages include increased fire risk, losses in biodiversity, and diminished revenues and quality of life. Feasibility of sustained and successful mitigation will depend heavily on rates of spread, treatment capacity, and cost–benefit analysis. We created a decision support model for the wildland–urban interface north of Tucson, AZ, using a spatial state-and-transition simulation modeling framework, the Tool for Exploratory Landscape Scenario Analyses. We addressed the issues of undetected invasions, identifying potentially suitable habitat and calibrating spread rates, while answering questions about how to allocate resources among inventory, treatment, and maintenance. Inputs to the model include a state-and-transition simulation model to describe the succession and control of buffelgrass, a habitat suitability model, management planning zones, spread vectors, estimated dispersal kernels for buffelgrass, and maps of current distribution. Our spatial simulations showed that without treatment, buffelgrass infestations that started with as little as 80 ha (198 ac) could grow to more than 6,000 ha by the year 2060. In contrast, applying unlimited management resources could limit 2060 infestation levels to approximately 50 ha. The application of sufficient resources toward inventory is important because undetected patches of buffelgrass will tend to grow exponentially. In our simulations, areas affected by buffelgrass may increase substantially over the next 50 yr, but a large, upfront investment in buffelgrass control could reduce the infested area and overall management costs.

Charge and spin control of ultrafast electron and hole dynamics in single CdSe/ZnSe quantum dots

NASA Astrophysics Data System (ADS)

Hinz, C.; Gumbsheimer, P.; Traum, C.; Holtkemper, M.; Bauer, B.; Haase, J.; Mahapatra, S.; Frey, A.; Brunner, K.; Reiter, D. E.; Kuhn, T.; Seletskiy, D. V.; Leitenstorfer, A.

2018-01-01

We study the dynamics of photoexcited electrons and holes in single negatively charged CdSe/ZnSe quantum dots with two-color femtosecond pump-probe spectroscopy. An initial characterization of the energy level structure is performed at low temperatures and magnetic fields of up to 5 T. Emission and absorption resonances are assigned to specific transitions between few-fermion states by a theoretical model based on a configuration interaction approach. To analyze the dynamics of individual charge carriers, we initialize the quantum system into excited trion states with defined energy and spin. Subsequently, the time-dependent occupation of the trion ground state is monitored by spectrally resolved differential transmission measurements. We observe subpicosecond dynamics for a hole excited to the D shell. The energy dependence of this D -to-S shell intraband transition is investigated in quantum dots of varying size. Excitation of an electron-hole pair in the respective p shells leads to the formation of singlet and triplet spin configurations. Relaxation of the p -shell singlet is observed to occur on a time scale of a few picoseconds. Pumping of p -shell triplet transitions opens up two pathways with distinctly different scattering times. These processes are shown to be governed by the mixing of singlet and triplet states due to exchange interactions enabling simultaneous electron and hole spin flips. To isolate the relaxation channels, we align the spin of the residual electron by a magnetic field and employ laser pulses of defined helicity. This step provides ultrafast preparation of a fully inverted trion ground state of the quantum dot with near unity probability, enabling deterministic addition of a single photon to the probe pulse. Therefore our experiments represent a significant step towards using single quantum emitters with well-controled inversion to manipulate the photon statistics of ultrafast light pulses.

Abnormal Sleep/Wake Dynamics in Orexin Knockout Mice

PubMed Central

Diniz Behn, Cecilia G.; Klerman, Elizabeth B.; Mochizuki, Takatoshi; Lin, Shih-Chieh; Scammell, Thomas E.

2010-01-01

Study Objectives: Narcolepsy with cataplexy is caused by a loss of orexin (hypocretin) signaling, but the physiologic mechanisms that result in poor maintenance of wakefulness and fragmented sleep remain unknown. Conventional scoring of sleep cannot reveal much about the process of transitioning between states or the variations within states. We developed an EEG spectral analysis technique to determine whether the state instability in a mouse model of narcolepsy reflects abnormal sleep or wake states, faster movements between states, or abnormal transitions between states. Design: We analyzed sleep recordings in orexin knockout (OXKO) mice and wild type (WT) littermates using a state space analysis technique. This non-categorical approach allows quantitative and unbiased examination of sleep/wake states and state transitions. Measurements and Results: OXKO mice spent less time in deep, delta-rich NREM sleep and in active, theta-rich wake and instead spent more time near the transition zones between states. In addition, while in the midst of what should be stable wake, OXKO mice initiated rapid changes into NREM sleep with high velocities normally seen only in transition regions. Consequently, state transitions were much more frequent and rapid even though the EEG progressions during state transitions were normal. Conclusions: State space analysis enables visualization of the boundaries between sleep and wake and shows that narcoleptic mice have less distinct and more labile states of sleep and wakefulness. These observations provide new perspectives on the abnormal state dynamics resulting from disrupted orexin signaling and highlight the usefulness of state space analysis in understanding narcolepsy and other sleep disorders. Citation: Diniz Behn CG; Klerman EB; Mochizuki T; Lin S; Scammell TE. Abnormal sleep/wake dynamics in orexin knockout mice. SLEEP 2010;33(3):297-306. PMID:20337187

From the granular Leidenfrost state to buoyancy-driven convection.

PubMed

Rivas, Nicolas; Thornton, Anthony R; Luding, Stefan; van der Meer, Devaraj

2015-04-01

Grains inside a vertically vibrated box undergo a transition from a density-inverted and horizontally homogeneous state, referred to as the granular Leidenfrost state, to a buoyancy-driven convective state. We perform a simulational study of the precursors of such a transition and quantify their dynamics as the bed of grains is progressively fluidized. The transition is preceded by transient convective states, which increase their correlation time as the transition point is approached. Increasingly correlated convective flows lead to density fluctuations, as quantified by the structure factor, that also shows critical behavior near the transition point. The amplitude of the modulations in the vertical velocity field are seen to be best described by a quintic supercritical amplitude equation with an additive noise term. The validity of such an amplitude equation, and previously observed collective semiperiodic oscillations of the bed of grains, suggests a new interpretation of the transition analogous to a coupled chain of vertically vibrated damped oscillators. Increasing the size of the container shows metastability of convective states, as well as an overall invariant critical behavior close to the transition.

Understanding emotional transitions: the interpersonal consequences of changing emotions in negotiations.

PubMed

Filipowicz, Allan; Barsade, Sigal; Melwani, Shimul

2011-09-01

Research on the interpersonal functions of emotions has focused primarily on steady-state emotion rather than on emotional transitions, the movement between emotion states. The authors examined the influence of emotional transitions on social interactions and found that emotional transitions led to consistently different outcomes than their corresponding steady-state emotions. Across 2 computer-mediated negotiations and a face-to-face negotiation, participants negotiating with partners who displayed a "becoming angry" (happy to angry) emotional transition accepted worse negotiation outcomes yet formed better relational impressions of their partners than participants negotiating with partners who displayed steady-state anger. This relationship was mediated through 2 mechanisms: attributional and emotional contagion processes. The "becoming happy" (angry to happy) emotional transition as compared with steady-state happiness was not significantly related to differences in negotiation outcomes but was significantly related to differences in relational impressions, where perceivers of the "becoming happy" emotional transition gave their partners lower relational impression ratings than perceivers of steady-state happiness. PsycINFO Database Record (c) 2011 APA, all rights reserved.

Manipulation of ultracold Rb atoms using a single linearly chirped laser pulse.

PubMed

Collins, T A; Malinovskaya, S A

2012-06-15

At ultracold temperatures, atoms are free from thermal motion, which makes them ideal objects of investigations aiming to advance high-precision spectroscopy, metrology, quantum computation, producing Bose condensates, etc. The quantum state of ultracold atoms may be created and manipulated by making use of quantum control methods employing low-intensity pulses. We theoretically investigate population dynamics of ultracold Rb vapor induced by nanosecond linearly chirped pulses having kW/cm2 beam intensity and show a possibility of controllable population transfer between hyperfine (HpF) levels of 5(2)/S(1/2) state through Raman transitions. Satisfying the one-photon resonance condition with the lowest of the HpF states of 5(2)/P(1/2) or 5(2)/P(3/2) state allows us to enter the adiabatic region of population transfer at very low field intensities, such that corresponding Rabi frequencies are less than or equal to the HpF splitting. This methodology provides a robust way to create a specifically designed superposition state in Rb in the basis of HpF levels and perform state manipulation controllable on the picosecond-to-nanosecond time scale.

Ultrafast time scale X-rotation of cold atom storage qubit using Rubidium clock states

NASA Astrophysics Data System (ADS)

Song, Yunheung; Lee, Han-Gyeol; Kim, Hyosub; Jo, Hanlae; Ahn, Jaewook

2017-04-01

Ultrafast-time-scale optical interaction is a local operation on the electronic subspace of an atom, thus leaving its nuclear state intact. However, because atomic clock states are maximally entangled states of the electronic and nuclear degrees of freedom, their entire Hilbert space should be accessible only with local operations and classical communications (LOCC). Therefore, it may be possible to achieve hyperfine qubit gates only with electronic transitions. Here we show an experimental implementation of ultrafast X-rotation of atomic hyperfine qubits, in which an optical Rabi oscillation induces a geometric phase between the constituent fine-structure states, thus bringing about the X-rotation between the two ground hyperfine levels. In experiments, cold atoms in a magneto-optical trap were controlled with a femtosecond laser pulse from a Ti:sapphire laser amplifier. Absorption imaging of the as-controlled atoms initially in the ground hyperfine state manifested polarization dependence, strongly agreeing with the theory. The result indicates that single laser pulse implementations of THz clock speed qubit controls are feasible for atomic storage qubits. Samsung Science and Technology Foundation [SSTF-BA1301-12].

Understanding molecular motor walking along a microtubule: a themosensitive asymmetric Brownian motor driven by bubble formation.

PubMed

Arai, Noriyoshi; Yasuoka, Kenji; Koishi, Takahiro; Ebisuzaki, Toshikazu; Zeng, Xiao Cheng

2013-06-12

The "asymmetric Brownian ratchet model", a variation of Feynman's ratchet and pawl system, is invoked to understand the kinesin walking behavior along a microtubule. The model system, consisting of a motor and a rail, can exhibit two distinct binding states, namely, the random Brownian state and the asymmetric potential state. When the system is transformed back and forth between the two states, the motor can be driven to "walk" in one direction. Previously, we suggested a fundamental mechanism, that is, bubble formation in a nanosized channel surrounded by hydrophobic atoms, to explain the transition between the two states. In this study, we propose a more realistic and viable switching method in our computer simulation of molecular motor walking. Specifically, we propose a thermosensitive polymer model with which the transition between the two states can be controlled by temperature pulses. Based on this new motor system, the stepping size and stepping time of the motor can be recorded. Remarkably, the "walking" behavior observed in the newly proposed model resembles that of the realistic motor protein. The bubble formation based motor not only can be highly efficient but also offers new insights into the physical mechanism of realistic biomolecule motors.

Phase transitions in a multistate majority-vote model on complex networks

NASA Astrophysics Data System (ADS)

Chen, Hanshuang; Li, Guofeng

2018-06-01

We generalize the original majority-vote (MV) model from two states to arbitrary p states and study the order-disorder phase transitions in such a p -state MV model on complex networks. By extensive Monte Carlo simulations and a mean-field theory, we show that for p ≥3 the order of phase transition is essentially different from a continuous second-order phase transition in the original two-state MV model. Instead, for p ≥3 the model displays a discontinuous first-order phase transition, which is manifested by the appearance of the hysteresis phenomenon near the phase transition. Within the hysteresis loop, the ordered phase and disordered phase are coexisting, and rare flips between the two phases can be observed due to the finite-size fluctuation. Moreover, we investigate the type of phase transition under a slightly modified dynamics [Melo et al., J. Stat. Mech. (2010) P11032, 10.1088/1742-5468/2010/11/P11032]. We find that the order of phase transition in the three-state MV model depends on the degree heterogeneity of networks. For p ≥4 , both dynamics produce the first-order phase transitions.

Statistical Mechanical Foundation for the Two-State Transition in Protein Folding of Small Globular Proteins

NASA Astrophysics Data System (ADS)

Iguchi, Kazumoto

We discuss the statistical mechanical foundation for the two-state transition in the protein folding of small globular proteins. In the standard arguments of protein folding, the statistical search for the ground state is carried out from astronomically many conformations in the configuration space. This leads us to the famous Levinthal's paradox. To resolve the paradox, Gō first postulated that the two-state transition - all-or-none type transition - is very crucial for the protein folding of small globular proteins and used the Gō's lattice model to show the two-state transition nature. Recently, there have been accumulated many experimental results that support the two-state transition for small globular proteins. Stimulated by such recent experiments, Zwanzig has introduced a minimal statistical mechanical model that exhibits the two-state transition. Also, Finkelstein and coworkers have discussed the solution of the paradox by considering the sequential folding of a small globular protein. On the other hand, recently Iguchi have introduced a toy model of protein folding using the Rubik's magic snake model, in which all folded structures are exactly known and mathematically represented in terms of the four types of conformations: cis-, trans-, left and right gauche-configurations between the unit polyhedrons. In this paper, we study the relationship between the Gō's two-state transition, the Zwanzig's statistical mechanics model and the Finkelsteinapos;s sequential folding model by applying them to the Rubik's magic snake models. We show that the foundation of the Gō's two-state transition model relies on the search within the equienergy surface that is labeled by the contact order of the hydrophobic condensation. This idea reproduces the Zwanzig's statistical model as a special case, realizes the Finkelstein's sequential folding model and fits together to understand the nature of the two-state transition of a small globular protein by calculating the physical quantities such as the free energy, the contact order and the specific heat. We point out the similarity between the liquid-gas transition in statistical mechanics and the two-state transition of protein folding. We also study morphology of the Rubik's magic snake models to give a prototype model for understanding the differences between α-helices proteins and β-sheets proteins.

Vibrational energy flow controls internal conversion in a transition metal complex.

PubMed

Hedley, Gordon J; Ruseckas, Arvydas; Samuel, Ifor D W

2010-09-02

Internal conversion (IC) between excited electronic states is a fundamental photophysical process that is important for understanding protection from UV radiation, energy transfer pathways and electron injection in artificial photosynthetic systems and organic solar cells. We have studied IC between three singlet MLCT states in an iridium complex using femtosecond fluorescence spectroscopy. Very fast IC with a time constant of <20 fs is observed from the highest state and a much slower relaxation to the lowest energy singlet state on a 70 fs time scale. The abrupt slowdown of the relaxation rate occurs when there is >0.6 eV of vibrational energy stored in the complex that has to be dissipated by intramolecular vibrational redistribution before further IC to the lower energy states can occur. These results show that the ability to dissipate vibrational energy can control the relaxation process in this class of materials.

Variational Transition State Theory

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

Truhlar, Donald G.

2016-09-29

This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.

Transitions Into Food Insecurity Associated With Behavioral Problems And Worse Overall Health Among Children.

PubMed

Kimbro, Rachel Tolbert; Denney, Justin T

2015-11-01

Children living in food-insecure households face myriad challenges to their well-being. The Great Recession of December 2007-June 2009 increased food insecurity to the highest levels ever measured in the United States. Using nationally representative data from the period 2010-12 for 6,300 children in the Early Childhood Longitudinal Study, Kindergarten Class of 2010-11, with household incomes below 300 percent of the federal poverty level and a dynamic measure of food insecurity transitions, we assessed the impact of transitions into and out of household food insecurity on the academic achievement, behavioral problems, and health status of young children. We found negligible impacts of food insecurity transitions on academic achievement in first grade. However, we found consistent negative impacts of the transitions on teachers' reports of children's externalizing behaviors, self-control, and interpersonal skills and on parents' reports of children's overall health status. Taken together, our findings underline the importance of food security for children's healthy development. Project HOPE—The People-to-People Health Foundation, Inc.

Langley Stability and Transition Analysis Code (LASTRAC) Version 1.2 User Manual

NASA Technical Reports Server (NTRS)

Chang, Chau-Lyan

2004-01-01

LASTRAC is a general-purposed, physics-based transition prediction code released by NASA for Laminar Flow Control studies and transition research. The design and development of the LASTRAC code is aimed at providing an engineering tool that is easy to use and yet capable of dealing with a broad range of transition related issues. It was written from scratch based on the state-of-the-art numerical methods for stability analysis and modern software technologies. At low fidelity, it allows users to perform linear stability analysis and N-factor transition correlation for a broad range of flow regimes and configurations by using either the linear stability theory or linear parabolized stability equations method. At high fidelity, users may use nonlinear PSE to track finite-amplitude disturbances until the skin friction rise. This document describes the governing equations, numerical methods, code development, detailed description of input/output parameters, and case studies for the current release of LASTRAC.

Time-patterns of antibiotic exposure in poultry production--a Markov chains exploratory study of nature and consequences.

PubMed

Chauvin, C; Clement, C; Bruneau, M; Pommeret, D

2007-07-16

This article describes the use of Markov chains to explore the time-patterns of antimicrobial exposure in broiler poultry. The transition in antimicrobial exposure status (exposed/not exposed to an antimicrobial, with a distinction between exposures to the different antimicrobial classes) in extensive data collected in broiler chicken flocks from November 2003 onwards, was investigated. All Markov chains were first-order chains. Mortality rate, geographical location and slaughter semester were sources of heterogeneity between transition matrices. Transitions towards a 'no antimicrobial' exposure state were highly predominant, whatever the initial state. From a 'no antimicrobial' exposure state, the transition to beta-lactams was predominant among transitions to an antimicrobial exposure state. Transitions between antimicrobial classes were rare and variable. Switches between antimicrobial classes and repeats of a particular class were both observed. Application of Markov chains analysis to the database of the nation-wide antimicrobial resistance monitoring programme pointed out that transition probabilities between antimicrobial exposure states increased with the number of resistances in Escherichia coli strains.

First-principles studies of magnetic complex oxide heterointerfaces

NASA Astrophysics Data System (ADS)

Rondinelli, James M.

Despite the technological advancements driven by conventional semiconductors, continued improvements in nanoelectronics will require new materials with greater functionality. Perovskite-structured transition metal oxides with ABO3 stoichiometry are leading candidates that display amyriad of useful phenomena: ferroelectricity, magnetism, and superconductivity. Since these properties arise from correlated electronic interactions, field-tuning techniques make possible ultra-fast phase transitions between dramatically different states. Unfortunately, the integration of these materials into microelectronics has not yet occurred because of a fundamental lack in understanding how to predict and control these phase transitions at oxide--oxide heterointerfaces. The exceedingly difficult challenge of identifying the microscopic origins of interface electronic behavior is crucial to the functional design and discovery of next generation electronic materials. This dissertation focuses on developing that understanding at magnetic perovskite oxide heterointerfaces using first-principles (parameter free) density functional calculations. New ideas for oxide-oxide superlattice design emerge by considering the interfaces as entirely new complex materials: the interfacial electronic and magnetic structure in artificial geometries is genuinely different from those of the parent bulk materials due to changes in symmetry- and size-dependent properties. By isolating the role of the interacting electron-, orbital-, and spin-lattice degrees of freedom at the interfaces, I identify that the primary interaction governing the ground state derives from latent instabilities present in the bulk phases. The heteroepitaxial structural constraints enhance these modes to re-normalize the low energy electronic structure. To develop insight into the role of thin film thickness and strain effects, I explore how the electronic and magnetic structures of single component films respond to the elastic constraints, in particular, whether ultra-thin layers of SrRuO3 are susceptible to a metal-insulator transition and if strained LaCoO3 films support reversible magnetic spin state transitions. I then examine how the interface between two dissimilar materials---a polarizable dielectric SrTiO3 and a ferromagneticmetal SrRuO 3---responds to an external electric field; I find a spin-dependent screening effect at the heterointerface that manifests as an interfacial magnetoelectric effect and makes possible electric-field control of magnetization. I then explore how the orbital degree of freedom in the electronically degenerate and magnetic SrFeO3 is modified by geometric confinement and changes in chemical bonding at a heterointerface with SrTiO3. I find lattice instabilities are enhanced in the superlattice, and their condensation leads to an electronic phase transition. By isolating the chemical effects at the heterointerface, I identify an additional route to control octahedral rotation patterns pervasive in perovskite oxides films through structural coherency. This study suggests a complementary strain-free avenue for functional thin film design. The materials understanding obtained from these first-principles calculations, when leveraged with new synthesis techniques, offers to have substantial impact on the search and control of new functionalities in oxide heterostructures.

Policy to Performance: State ABE Transition Systems Report. Transitioning Adults to Opportunity

ERIC Educational Resources Information Center

Alamprese, Judith A.

2012-01-01

The U.S. Department of Education's Policy to Performance project was funded in 2009 to build the capacity of state adult basic education (ABE) staff to develop and implement policies and practices that would support an ABE transition system. Policy to Performance states were selected though a competitive process. State adult education directors…

Critical Slowing Down Governs the Transition to Neuron Spiking

PubMed Central

Meisel, Christian; Klaus, Andreas; Kuehn, Christian; Plenz, Dietmar

2015-01-01

Many complex systems have been found to exhibit critical transitions, or so-called tipping points, which are sudden changes to a qualitatively different system state. These changes can profoundly impact the functioning of a system ranging from controlled state switching to a catastrophic break-down; signals that predict critical transitions are therefore highly desirable. To this end, research efforts have focused on utilizing qualitative changes in markers related to a system’s tendency to recover more slowly from a perturbation the closer it gets to the transition—a phenomenon called critical slowing down. The recently studied scaling of critical slowing down offers a refined path to understand critical transitions: to identify the transition mechanism and improve transition prediction using scaling laws. Here, we outline and apply this strategy for the first time in a real-world system by studying the transition to spiking in neurons of the mammalian cortex. The dynamical system approach has identified two robust mechanisms for the transition from subthreshold activity to spiking, saddle-node and Hopf bifurcation. Although theory provides precise predictions on signatures of critical slowing down near the bifurcation to spiking, quantitative experimental evidence has been lacking. Using whole-cell patch-clamp recordings from pyramidal neurons and fast-spiking interneurons, we show that 1) the transition to spiking dynamically corresponds to a critical transition exhibiting slowing down, 2) the scaling laws suggest a saddle-node bifurcation governing slowing down, and 3) these precise scaling laws can be used to predict the bifurcation point from a limited window of observation. To our knowledge this is the first report of scaling laws of critical slowing down in an experiment. They present a missing link for a broad class of neuroscience modeling and suggest improved estimation of tipping points by incorporating scaling laws of critical slowing down as a strategy applicable to other complex systems. PMID:25706912

Electrochemically controlled iron isotope fractionation

NASA Astrophysics Data System (ADS)

Black, Jay R.; Young, Edward D.; Kavner, Abby

2010-02-01

Variations in the stable isotope abundances of transition metals have been observed in the geologic record and trying to understand and reconstruct the physical/environmental conditions that produced these signatures is an area of active research. It is clear that changes in oxidation state lead to large fractionations of the stable isotopes of many transition metals such as iron, suggesting that transition metal stable isotope signatures could be used as a paleo-redox proxy. However, the factors contributing to these observed stable isotope variations are poorly understood. Here we investigate how the kinetics of iron redox electrochemistry generates isotope fractionation. Through a combination of electrodeposition experiments and modeling of electrochemical processes including mass-transport, we show that electron transfer reactions are the cause of a large isotope separation, while mass transport-limited supply of reactant to the electrode attenuates the observed isotopic fractionation. Furthermore, the stable isotope composition of electroplated transition metals can be tuned in the laboratory by controlling parameters such as solution chemistry, reaction overpotential, and solution convection. These methods are potentially useful for generating isotopically-marked metal surfaces for tracking and forensic purposes. In addition, our studies will help interpret stable isotope data in terms of identifying underlying electron transfer processes in laboratory and natural samples.

Fine urban and precursor emissions control for diesel urban transit buses.

PubMed

Lanni, Thomas

2003-01-01

Particulate emission from diesel engines is one of the most important pollutants in urban areas. As a result, particulate emission control from urban bus diesel engines using particle filter technology is being evaluated at several locations in the US. A project entitled "Clean Diesel Air Quality Demonstration Program" has been initiated by the New York City Metropolitan Transit Authority (MTA) under the supervision of New York State Department of Environmental Conservation and with active participation from Johnson Matthey, Corning, Equilon, Environment Canada and RAD Energy. Under this program, several MTA transit buses with DDC Series 50 engines were equipped with Continuously Regenerating Technology (CRTTM) particulate filter systems and have been operated with ultra low sulfur diesel (<30 ppm S) in transit service in Manhattan since February 2000. These buses were evaluated over a 9-month period for durability and maintainability of the particulate filter. In addition, an extensive emissions testing program was carried out using transient cycles on a chassis dynamometer to evaluate the emissions reductions obtained with the particle filter. In this paper, the emissions testing data from the Clean Diesel Air Quality Demonstration Program are discussed in detail.

Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice.

PubMed

Lin, Chuanlong; Yong, Xue; Tse, John S; Smith, Jesse S; Sinogeikin, Stanislav V; Kenney-Benson, Curtis; Shen, Guoyin

2017-09-29

We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transition to low-density amorphous ice at 96 K and ∼1  Pa, to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.

Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice

NASA Astrophysics Data System (ADS)

Lin, Chuanlong; Yong, Xue; Tse, John S.; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kenney-Benson, Curtis; Shen, Guoyin

2017-09-01

We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transition to low-density amorphous ice at 96 K and ˜1 Pa , to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.

Interrelationships between childbearing and housing transitions in the family life course.

PubMed

Kulu, Hill; Steele, Fiona

2013-10-01

Research has examined the effect of family changes on housing transitions and childbearing patterns within various housing types. Although most research has investigated how an event in one domain of family life depends on the current state in another domain, the interplay between them has been little studied. This study examines the interrelationships between childbearing decisions and housing transitions. We use rich longitudinal register data from Finland and apply multilevel event history analysis to allow for multiple births and housing changes over the life course. We investigate the timing of fertility decisions and housing choices with respect to each other. We model childbearing and housing transitions jointly to control for time-invariant unobserved characteristics of women, which may simultaneously influence their fertility behavior and housing choices, and we show how joint modeling leads to a deeper understanding of the interplay between the two domains of family life.

Thermally driven anomalous Hall effect transitions in FeRh

NASA Astrophysics Data System (ADS)

Popescu, Adrian; Rodriguez-Lopez, Pablo; Haney, Paul M.; Woods, Lilia M.

2018-04-01

Materials exhibiting controllable magnetic phase transitions are currently in demand for many spintronics applications. Here, we investigate from first principles the electronic structure and intrinsic anomalous Hall, spin Hall, and anomalous Nernst response properties of the FeRh metallic alloy which undergoes a thermally driven antiferromagnetic-to-ferromagnetic phase transition. We show that the energy band structures and underlying Berry curvatures have important signatures in the various Hall effects. Specifically, the suppression of the anomalous Hall and Nernst effects in the antiferromagnetic state and a sign change in the spin Hall conductivity across the transition are found. It is suggested that the FeRh can be used as a spin current detector capable of differentiating the spin Hall effect from other anomalous transverse effects. The implications of this material and its thermally driven phases as a spin current detection scheme are also discussed.

Rocky Flats Plant: Test bed for transitioning from weapons production mission to environmental restoration, waste management, and economic development missions

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

Benjamin, A.; Murthy, K.S.; Krenzer, R.W.

1993-01-07

Redirection of Rocky Flats Plant's (RF) mission is an inevitable result of changes in the worldwide social, political, and environmental factors. These changes were exemplified in the cancellation of the W-88 Warhead in January 1992, by the President of the United States. These unprecedented changes have altered the RF's traditional nuclear weapons production mission to the transition mission, i.e., cleanup, preparation for deactivation and decontamination, decommissioning, dismantlement and demolition, and when appropriate, economic development, of the facilities. The purpose of this paper is to describe the essentials of the technical approach and management actions advanced by EG G Rocky Flats,more » Inc., to organize, staff, direct, and control the activities necessary to transition the RF from its historical weapons production mission to the transition mission.« less

Rocky Flats Plant: Test bed for transitioning from weapons production mission to environmental restoration, waste management, and economic development missions

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

Benjamin, A.; Murthy, K.S.; Krenzer, R.W.

1993-01-07

Redirection of Rocky Flats Plant`s (RF) mission is an inevitable result of changes in the worldwide social, political, and environmental factors. These changes were exemplified in the cancellation of the W-88 Warhead in January 1992, by the President of the United States. These unprecedented changes have altered the RF`s traditional nuclear weapons production mission to the transition mission, i.e., cleanup, preparation for deactivation and decontamination, decommissioning, dismantlement and demolition, and when appropriate, economic development, of the facilities. The purpose of this paper is to describe the essentials of the technical approach and management actions advanced by EG&G Rocky Flats, Inc.,more » to organize, staff, direct, and control the activities necessary to transition the RF from its historical weapons production mission to the transition mission.« less

Nuclear quantum shape-phase transitions in odd-mass systems

NASA Astrophysics Data System (ADS)

Quan, S.; Li, Z. P.; Vretenar, D.; Meng, J.

2018-03-01

Microscopic signatures of nuclear ground-state shape-phase transitions in odd-mass Eu isotopes are explored starting from excitation spectra and collective wave functions obtained by diagonalization of a core-quasiparticle coupling Hamiltonian based on energy density functionals. As functions of the physical control parameter—the number of nucleons—theoretical low-energy spectra, two-neutron separation energies, charge isotope shifts, spectroscopic quadrupole moments, and E 2 reduced transition matrix elements accurately reproduce available data and exhibit more-pronounced discontinuities at neutron number N =90 compared with the adjacent even-even Sm and Gd isotopes. The enhancement of the first-order quantum phase transition in odd-mass systems can be attributed to a shape polarization effect of the unpaired proton which, at the critical neutron number, starts predominantly coupling to Gd core nuclei that are characterized by larger quadrupole deformation and weaker proton pairing correlations compared with the corresponding Sm isotopes.

Loop-driven conformational transition between the alternative and collapsed form of prethrombin-2: targeted molecular dynamics study.

PubMed

Wu, Sangwook

2017-01-01

Two distinct crystal structures of prethrombin-2, the alternative and collapsed forms, are elucidated by X-ray crystallogrphy. We analyzed the conformational transition from the alternative to the collapsed form employing targeted molecular dynamics (TMD) simulation. Despite small RMSD difference in the two X-ray crystal structures, some hydrophobic residues (W60d, W148, W215, and F227) show a significant difference between the two conformations. TMD simulation shows that the four hydrophobic residues undergo concerted movement from dimer to trimer transition via tetramer state in the conformational change from the alternative to the collapsed form. We reveal that the concerted movement of the four hydrophobic residues is controlled by movement of specific loop regions behind. In this paper, we propose a sequential scenario for the conformational transition from the alternative form to the collapsed form, which is partially supported by the mutant W148A simulation.

Patterns and Controls of Nutrient Concentrations in a Southeastern United States Tidal Creek

DTIC Science & Technology

2013-09-01

which the Duplm’s salinity was controlled solely by mixing between Altamaha River and Atlantic Ocean water . Marine end-membei composition was...ix’iiirrint; within the water - shed must hove been responsible. SEDIMENT AND WATER COLUMN MICROBIAL PROCESSES There was a great deal ot...subsequent processes transform these nutrients in the land-ocean transition zone. Here, we describe spatial and temporal patterns in surface water

SYMBMAT: Symbolic computation of quantum transition matrix elements

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Kirchner, T.

2012-08-01

We have developed a set of Mathematica notebooks to compute symbolically quantum transition matrices relevant for atomic ionization processes. The utilization of a symbolic language allows us to obtain analytical expressions for the transition matrix elements required in charged-particle and laser induced ionization of atoms. Additionally, by using a few simple commands, it is possible to export these symbolic expressions to standard programming languages, such as Fortran or C, for the subsequent computation of differential cross sections or other observables. One of the main drawbacks in the calculation of transition matrices is the tedious algebraic work required when initial states other than the simple hydrogenic 1s state need to be considered. Using these notebooks the work is dramatically reduced and it is possible to generate exact expressions for a large set of bound states. We present explicit examples of atomic collisions (in First Born Approximation and Distorted Wave Theory) and laser-matter interactions (within the Dipole and Strong Field Approximations and different gauges) using both hydrogenic wavefunctions and Slater-Type Orbitals with arbitrary nlm quantum numbers as initial states. Catalogue identifier: AEMI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMI_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 71 628 No. of bytes in distributed program, including test data, etc.: 444 195 Distribution format: tar.gz Programming language: Mathematica Computer: Single machines using Linux or Windows (with cores with any clock speed, cache memory and bits in a word) Operating system: Any OS that supports Mathematica. The notebooks have been tested under Windows and Linux and with versions 6.x, 7.x and 8.x Classification: 2.6 Nature of problem: The notebooks generate analytical expressions for quantum transition matrix elements required in diverse atomic processes: ionization by ion, electron, or photon impact and ionization within the framework of strong field physics. In charged-particle collisions approaches based on perturbation theory enjoy widespread utilization. Accordingly, we have chosen the First Born Approximation and Distorted Wave theories as examples. In light-matter interactions, the main ingredient for many types of calculations is the dipole transition matrix in its different formulations, i.e. length, velocity, and acceleration gauges. In all these cases the transitions of interest occur between a bound state and a continuum state which can be described in different ways. With the notebooks developed in the present work it is possible to calculate transition matrix elements analytically for any set of quantum numbers nlm of initial hydrogenic states or Slater-Type Orbitals and for plane waves or Coulomb waves as final continuum states. Solution method: The notebooks employ symbolic computation to generate analytical expressions for transition matrix elements used in both collision and light-matter interaction physics. fba_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the First Born Approximation (FBA). The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a plane wave (PW) or a Coulomb wave (CW). distorted_hyd.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in Distorted Wave (DW) theories. The transitions considered are from a (distorted) bound hydrogenic state with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the Strong Field Approximation (SFA)) or a CW (the Coulomb-Volkov Approximation (CVA)). dipoleVelocity_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_hyd.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from a bound hydrogenic state with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). For the case of the CVA we only include the transition from the 1s state to a continuum state represented by a CW. fba_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in the FBA. The transitions considered are from a Slater-Type Orbital (STO) with arbitrary quantum numbers nlm to a continuum state represented by a PW or a CW. distorted_STO.nb - This notebook computes analytical expressions for the transition matrix of collision-induced ionization in DW theories. The transitions considered are from a (distorted) STO with arbitrary quantum numbers nlm to a distorted-wave continuum state. The computations are based on scalar and vectorial integrals (see the text for details). dipoleLength_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in length gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleVelocity_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in velocity gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA) or a CW (the CVA). dipoleAcceleration_STO.nb - This notebook computes analytical expressions for the dipole transition matrix in acceleration gauge. The transitions considered are from an STO with arbitrary quantum numbers nlm to a continuum state represented by a PW (the SFA). The symbolic expressions obtained within each notebook can be exported to standard programming languages such as Fortran or C using the Format.m package (see the text and Ref. Sofroniou (1993) [16] for details). Running time: Computational times vary according to the transition matrix selected and quantum numbers nlm of the initial state used. The typical running time is several minutes, but it will take longer for large values of nlm.

Globally coupled stochastic two-state oscillators: fluctuations due to finite numbers.

PubMed

Pinto, Italo'Ivo Lima Dias; Escaff, Daniel; Harbola, Upendra; Rosas, Alexandre; Lindenberg, Katja

2014-05-01

Infinite arrays of coupled two-state stochastic oscillators exhibit well-defined steady states. We study the fluctuations that occur when the number N of oscillators in the array is finite. We choose a particular form of global coupling that in the infinite array leads to a pitchfork bifurcation from a monostable to a bistable steady state, the latter with two equally probable stationary states. The control parameter for this bifurcation is the coupling strength. In finite arrays these states become metastable: The fluctuations lead to distributions around the most probable states, with one maximum in the monostable regime and two maxima in the bistable regime. In the latter regime, the fluctuations lead to transitions between the two peak regions of the distribution. Also, we find that the fluctuations break the symmetry in the bimodal regime, that is, one metastable state becomes more probable than the other, increasingly so with increasing array size. To arrive at these results, we start from microscopic dynamical evolution equations from which we derive a Langevin equation that exhibits an interesting multiplicative noise structure. We also present a master equation description of the dynamics. Both of these equations lead to the same Fokker-Planck equation, the master equation via a 1/N expansion and the Langevin equation via standard methods of Itô calculus for multiplicative noise. From the Fokker-Planck equation we obtain an effective potential that reflects the transition from the monomodal to the bimodal distribution as a function of a control parameter. We present a variety of numerical and analytic results that illustrate the strong effects of the fluctuations. We also show that the limits N → ∞ and t → ∞ (t is the time) do not commute. In fact, the two orders of implementation lead to drastically different results.

Globally coupled stochastic two-state oscillators: Fluctuations due to finite numbers

NASA Astrophysics Data System (ADS)

Pinto, Italo'Ivo Lima Dias; Escaff, Daniel; Harbola, Upendra; Rosas, Alexandre; Lindenberg, Katja

2014-05-01

Infinite arrays of coupled two-state stochastic oscillators exhibit well-defined steady states. We study the fluctuations that occur when the number N of oscillators in the array is finite. We choose a particular form of global coupling that in the infinite array leads to a pitchfork bifurcation from a monostable to a bistable steady state, the latter with two equally probable stationary states. The control parameter for this bifurcation is the coupling strength. In finite arrays these states become metastable: The fluctuations lead to distributions around the most probable states, with one maximum in the monostable regime and two maxima in the bistable regime. In the latter regime, the fluctuations lead to transitions between the two peak regions of the distribution. Also, we find that the fluctuations break the symmetry in the bimodal regime, that is, one metastable state becomes more probable than the other, increasingly so with increasing array size. To arrive at these results, we start from microscopic dynamical evolution equations from which we derive a Langevin equation that exhibits an interesting multiplicative noise structure. We also present a master equation description of the dynamics. Both of these equations lead to the same Fokker-Planck equation, the master equation via a 1/N expansion and the Langevin equation via standard methods of Itô calculus for multiplicative noise. From the Fokker-Planck equation we obtain an effective potential that reflects the transition from the monomodal to the bimodal distribution as a function of a control parameter. We present a variety of numerical and analytic results that illustrate the strong effects of the fluctuations. We also show that the limits N →∞ and t →∞ (t is the time) do not commute. In fact, the two orders of implementation lead to drastically different results.

State-based decoding of hand and finger kinematics using neuronal ensemble and LFP activity during dexterous reach-to-grasp movements

PubMed Central

Mollazadeh, Mohsen; Davidson, Adam G.; Schieber, Marc H.; Thakor, Nitish V.

2013-01-01

The performance of brain-machine interfaces (BMIs) that continuously control upper limb neuroprostheses may benefit from distinguishing periods of posture and movement so as to prevent inappropriate movement of the prosthesis. Few studies, however, have investigated how decoding behavioral states and detecting the transitions between posture and movement could be used autonomously to trigger a kinematic decoder. We recorded simultaneous neuronal ensemble and local field potential (LFP) activity from microelectrode arrays in primary motor cortex (M1) and dorsal (PMd) and ventral (PMv) premotor areas of two male rhesus monkeys performing a center-out reach-and-grasp task, while upper limb kinematics were tracked with a motion capture system with markers on the dorsal aspect of the forearm, hand, and fingers. A state decoder was trained to distinguish four behavioral states (baseline, reaction, movement, hold), while a kinematic decoder was trained to continuously decode hand end point position and 18 joint angles of the wrist and fingers. LFP amplitude most accurately predicted transition into the reaction (62%) and movement (73%) states, while spikes most accurately decoded arm, hand, and finger kinematics during movement. Using an LFP-based state decoder to trigger a spike-based kinematic decoder [r = 0.72, root mean squared error (RMSE) = 0.15] significantly improved decoding of reach-to-grasp movements from baseline to final hold, compared with either a spike-based state decoder combined with a spike-based kinematic decoder (r = 0.70, RMSE = 0.17) or a spike-based kinematic decoder alone (r = 0.67, RMSE = 0.17). Combining LFP-based state decoding with spike-based kinematic decoding may be a valuable step toward the realization of BMI control of a multifingered neuroprosthesis performing dexterous manipulation. PMID:23536714

Programmable superpositions of Ising configurations

NASA Astrophysics Data System (ADS)

Sieberer, Lukas M.; Lechner, Wolfgang

2018-05-01

We present a framework to prepare superpositions of bit strings, i.e., many-body spin configurations, with deterministic programmable probabilities. The spin configurations are encoded in the degenerate ground states of the lattice-gauge representation of an all-to-all connected Ising spin glass. The ground-state manifold is invariant under variations of the gauge degrees of freedom, which take the form of four-body parity constraints. Our framework makes use of these degrees of freedom by individually tuning them to dynamically prepare programmable superpositions. The dynamics combines an adiabatic protocol with controlled diabatic transitions. We derive an effective model that allows one to determine the control parameters efficiently even for large system sizes.

Laser Controlled Tunneling in a Vertical Optical Lattice

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

Beaufils, Q.; Tackmann, G.; Wang, X.

2011-05-27

Raman laser pulses are used to induce coherent tunneling between neighboring sites of a vertical 1D optical lattice. Such tunneling occurs when the detuning of a probe laser from the atomic transition frequency matches multiples of the Bloch frequency, allowing for a spectroscopic control of the coupling between Wannier-Stark (WS) states. In particular, we prepare coherent superpositions of WS states of adjacent sites, and investigate the coherence time of these superpositions by realizing a spatial interferometer. This scheme provides a powerful tool for coherent manipulation of external degrees of freedom of cold atoms, which is a key issue for quantummore » information processing.« less

Experimental study of multi-pulse generation in a full polarization-controlled passively mode-locked Er-fiber laser

NASA Astrophysics Data System (ADS)

Santiago-Hernández, H.; Bracamontes-Rodríguez, Y. E.; Beltrán-Pérez, G.; Armas-Rivera, I.; Rodríguez-Morales, L. A.; Pottiez, O.; Ibarra-Escamilla, B.; Durán-Sánchez, M.; Hernández-Arriaga, M. V.; Kuzin, E. A.

2018-02-01

We report the dynamics of multi-pulse in a ring cavity passively mode-locked fiber laser with a strict control of the polarization state. We study the relation between the polarization state of the pulses propagating in the cavity and the regimes of generation. We have found that small ellipticities, the laser generates one bunch of pulses in the cavity, while at higher ellipticities the laser generates multiple bunches. At constant ellipticity we rotated the polarization azimuth and observed a regime transition from the generation of a bunch of solitons to that of noise-like pulses (NLP).

Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array.

PubMed

Hensgens, T; Fujita, T; Janssen, L; Li, Xiao; Van Diepen, C J; Reichl, C; Wegscheider, W; Das Sarma, S; Vandersypen, L M K

2017-08-02

Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

Changing dynamics of Caribbean reef carbonate budgets: emergence of reef bioeroders as critical controls on present and future reef growth potential.

PubMed

Perry, Chris T; Murphy, Gary N; Kench, Paul S; Edinger, Evan N; Smithers, Scott G; Steneck, Robert S; Mumby, Peter J

2014-12-07

Coral cover has declined rapidly on Caribbean reefs since the early 1980s, reducing carbonate production and reef growth. Using a cross-regional dataset, we show that widespread reductions in bioerosion rates-a key carbonate cycling process-have accompanied carbonate production declines. Bioerosion by parrotfish, urchins, endolithic sponges and microendoliths collectively averages 2 G (where G = kg CaCO3 m(-2) yr(-1)) (range 0.96-3.67 G). This rate is at least 75% lower than that reported from Caribbean reefs prior to their shift towards their present degraded state. Despite chronic overfishing, parrotfish are the dominant bioeroders, but erosion rates are reduced from averages of approximately 4 to 1.6 G. Urchin erosion rates have declined further and are functionally irrelevant to bioerosion on most reefs. These changes demonstrate a fundamental shift in Caribbean reef carbonate budget dynamics. To-date, reduced bioerosion rates have partially offset carbonate production declines, limiting the extent to which more widespread transitions to negative budget states have occurred. However, given the poor prognosis for coral recovery in the Caribbean and reported shifts to coral community states dominated by slower calcifying taxa, a continued transition from production to bioerosion-controlled budget states, which will increasingly threaten reef growth, is predicted. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

A steep-slope transistor based on abrupt electronic phase transition

NASA Astrophysics Data System (ADS)

Shukla, Nikhil; Thathachary, Arun V.; Agrawal, Ashish; Paik, Hanjong; Aziz, Ahmedullah; Schlom, Darrell G.; Gupta, Sumeet Kumar; Engel-Herbert, Roman; Datta, Suman

2015-08-01

Collective interactions in functional materials can enable novel macroscopic properties like insulator-to-metal transitions. While implementing such materials into field-effect-transistor technology can potentially augment current state-of-the-art devices by providing unique routes to overcome their conventional limits, attempts to harness the insulator-to-metal transition for high-performance transistors have experienced little success. Here, we demonstrate a pathway for harnessing the abrupt resistivity transformation across the insulator-to-metal transition in vanadium dioxide (VO2), to design a hybrid-phase-transition field-effect transistor that exhibits gate controlled steep (`sub-kT/q') and reversible switching at room temperature. The transistor design, wherein VO2 is implemented in series with the field-effect transistor's source rather than into the channel, exploits negative differential resistance induced across the VO2 to create an internal amplifier that facilitates enhanced performance over a conventional field-effect transistor. Our approach enables low-voltage complementary n-type and p-type transistor operation as demonstrated here, and is applicable to other insulator-to-metal transition materials, offering tantalizing possibilities for energy-efficient logic and memory applications.

A steep-slope transistor based on abrupt electronic phase transition.

PubMed

Shukla, Nikhil; Thathachary, Arun V; Agrawal, Ashish; Paik, Hanjong; Aziz, Ahmedullah; Schlom, Darrell G; Gupta, Sumeet Kumar; Engel-Herbert, Roman; Datta, Suman

2015-08-07

Collective interactions in functional materials can enable novel macroscopic properties like insulator-to-metal transitions. While implementing such materials into field-effect-transistor technology can potentially augment current state-of-the-art devices by providing unique routes to overcome their conventional limits, attempts to harness the insulator-to-metal transition for high-performance transistors have experienced little success. Here, we demonstrate a pathway for harnessing the abrupt resistivity transformation across the insulator-to-metal transition in vanadium dioxide (VO2), to design a hybrid-phase-transition field-effect transistor that exhibits gate controlled steep ('sub-kT/q') and reversible switching at room temperature. The transistor design, wherein VO2 is implemented in series with the field-effect transistor's source rather than into the channel, exploits negative differential resistance induced across the VO2 to create an internal amplifier that facilitates enhanced performance over a conventional field-effect transistor. Our approach enables low-voltage complementary n-type and p-type transistor operation as demonstrated here, and is applicable to other insulator-to-metal transition materials, offering tantalizing possibilities for energy-efficient logic and memory applications.

Elastomeric member and method of manufacture therefor

DOEpatents

Hoppie, Lyle O.

1985-01-01

An energy storage device (10) is disclosed consisting of a stretched elongated elastomeric member (16) disposed within a tubular housing (14), which elastomeric member (16) is adapted to be torsionally stressed to store energy. The elastomeric member (16) is configured in the relaxed state with a uniform diameter body section (74), and transition end sections (76, 78), attached to rigid end piece assemblies (22, 24) of a lesser diameter. The profile and deflection characteristic of the transition sections (76, 78) are such that upon stretching of the elastomeric member (16), a substantially uniform diameter assembly results, to minimize the required volume of the surrounding housing (14). Each of the transition sections (76, 78) are received within and bonded to a woven wire mesh sleeve (26, 28) having helical windings at a particular helix angle to control the deflection of the transition section. Each sleeve (26, 28) also contracts with the contraction of the associated transition section to maintain the bond therebetween. During manufacture, the sleeves (26, 28) are forced against a forming surface and bonded to the associated transition section (76, 78) to provide the correct profile and helix angle.

Elastomeric member

DOEpatents

Hoppie, Lyle O.

1985-01-01

An energy storage device (10) is disclosed consisting of a stretched elongated elastomeric member (16) disposed within a tubular housing (14), which elastomeric member (16) is adapted to be torsionally stressed to store energy. The elastomeric member (16) is configured in the relaxed state with a uniform diameter body section (74), and transition end sections (76, 78), attached to rigid end piece assemblies (22, 24) of a lesser diameter. The profile and deflection characteristic of the transition sections (76, 78) are such that upon stretching of the elastomeric member (16), a substantially uniform diameter assembly results, to minimize the required volume of the surrounding housing (14). Each of the transition sections (76, 78) are received within and bonded to a woven wire mesh sleeve (26, 28) having helical windings at a particular helix angle to control the deflection of the transition section. Each sleeve (26, 28) also contracts with the contraction of the associated transition section to maintain the bond therebetween. During manufacture, the sleeves (26, 28) are forced against a forming surface and bonded to the associated transition section (76, 78) to provide the correct profile and helix angle.

Adhesion and Wetting of Soft Nanoparticles on Textured Surfaces: Transition between Wenzel and Cassie-Baxter States

DOE PAGES

Cao, Zhen; Stevens, Mark J.; Carrillo, Jan-Michael Y.; ...

2015-01-16

We use a combination of the molecular dynamics simulations and scaling analysis to study interactions between gel-like nanoparticles and substrates covered with rectangular shape posts. Our simulations have shown that nanoparticle in contact with substrate undergo first order transition between Wenzel and Cassie-Baxter state which location depends on nanoparticle shear modulus, the strength of nanoparticle-substrate interactions, height of the substrate posts and nanoparticle size, R p. There is a range of system parameters where these two states coexist such that the average indentation δ produced by substrate posts changes monotonically with nanoparticle shear modulus, G p. We have developed amore » scaling model that describes deformation of nanoparticle in contact with patterned substrate. In the framework of this model the effect of the patterned substrate can be taken into account by introducing an effective work of adhesion, W eff, which describes the first order transition between Wenzel and Cassie-Baxter states. There are two different shape deformation regimes for nanoparticles with shear modulus G p and surface tension γ p. Shape of small nanoparticles with size R p < γ p 3/2G p -1 W eff -1/2 is controlled by capillary forces while deformation of large nanoparticles, R p > γ p 3/2G p -1 W eff -1/2« less

Localized-to-extended-states transition below the Fermi level

NASA Astrophysics Data System (ADS)

Tito, M. A.; Pusep, Yu. A.

2018-05-01

Time-resolved photoluminescence is employed to examine a transition from localized to extended electron states below the Fermi level in multiple narrow quantum well GaAs/AlGaAs heterostructures, where disorder was generated by interface roughness. Such a transition resembles the metal-insulator transition profoundly investigated by electric transport measurements. An important distinction distinguishes the localized-to-extended-states transition studied here: it takes place below the Fermi level in an electron system with a constant concentration, which implies unchanging Coulomb correlations. Moreover, for such a localized-to-extended-states transition the temperature is shown to be irrelevant. In the insulating regime the magnetic field was found to cause an additional momentum relaxation which considerably enhanced the recombination rate. Thus, we propose a method to explore the evolution of the localized electron states in a system with a fixed disorder and Coulomb interaction.

Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface Scans.

PubMed

Plessow, Philipp N

2018-02-13

This work explores how constrained linear combinations of bond lengths can be used to optimize transition states in periodic structures. Scanning of constrained coordinates is a standard approach for molecular codes with localized basis functions, where a full set of internal coordinates is used for optimization. Common plane wave-codes for periodic boundary conditions almost exlusively rely on Cartesian coordinates. An implementation of constrained linear combinations of bond lengths with Cartesian coordinates is described. Along with an optimization of the value of the constrained coordinate toward the transition states, this allows transition optimization within a single calculation. The approach is suitable for transition states that can be well described in terms of broken and formed bonds. In particular, the implementation is shown to be effective and efficient in the optimization of transition states in zeolite-catalyzed reactions, which have high relevance in industrial processes.

Conformational transition in signal transduction: metastable states and transition pathways in the activation of a signaling protein.

PubMed

Banerjee, Rahul; Yan, Honggao; Cukier, Robert I

2015-06-04

Signal transduction is of vital importance to the growth and adaptation of living organisms. The key to understand mechanisms of biological signal transduction is elucidation of the conformational dynamics of its signaling proteins, as the activation of a signaling protein is fundamentally a process of conformational transition from an inactive to an active state. A predominant form of signal transduction for bacterial sensing of environmental changes in the wild or inside their hosts is a variety of two-component systems, in which the conformational transition of a response regulator (RR) from an inactive to an active state initiates responses to the environmental changes. Here, RR activation has been investigated using RR468 as a model system by extensive unbiased all-atom molecular dynamics (MD) simulations in explicit solvent, starting from snapshots along a targeted MD trajectory that covers the conformational transition. Markov state modeling, transition path theory, and geometric analyses of the wealth of the MD data have provided a comprehensive description of the RR activation. It involves a network of metastable states, with one metastable state essentially the same as the inactive state and another very similar to the active state that are connected via a small set of intermediates. Five major pathways account for >75% of the fluxes of the conformational transition from the inactive to the active-like state. The thermodynamic stability of the states and the activation barriers between states are found, to identify rate-limiting steps. The conformal transition is initiated predominantly by movements of the β3α3 loop, followed by movements of the β4α4-loop and neighboring α4 helix region, and capped by additional movements of the β3α3 loop. A number of transient hydrophobic and hydrogen bond interactions are revealed, and they may be important for the conformational transition.

Topological phase transition in the quench dynamics of a one-dimensional Fermi gas with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Wang, Pei; Yi, Wei; Xianlong, Gao

2015-01-01

We study the quench dynamics of a one-dimensional ultracold Fermi gas with synthetic spin-orbit coupling. At equilibrium, the ground state of the system can undergo a topological phase transition and become a topological superfluid with Majorana edge states. As the interaction is quenched near the topological phase boundary, we identify an interesting dynamical phase transition of the quenched state in the long-time limit, characterized by an abrupt change of the pairing gap at a critical quenched interaction strength. We further demonstrate the topological nature of this dynamical phase transition from edge-state analysis of the quenched states. Our findings provide interesting clues for the understanding of topological phase transitions in dynamical processes, and can be useful for the dynamical detection of Majorana edge states in corresponding systems.

Analogous Gamow-Teller and M1 Transitions in Tz = ±½ Mirror Nuclei and in Tz = ±1, 0 Triplet Nuclei relevant to Low-energy Super GT state

NASA Astrophysics Data System (ADS)

Fujita, Yoshitaka; Fujita, Hirohiko; Tanumura, Yusuke

2018-05-01

Nuclei have spin- and isospin-degrees of freedom. Therefore, Gamow-Teller (GT) transitions caused by the στ operator (spin-isospin operator) are unique tools for the studies of nuclear structure as well as nuclear interactions. They can be studied in β decays as well as charge-exchange (CE) reactions. Similarly, M1 γ decays are mainly caused by the στ operator. Combined studies of these transitions caused by Weak, Strong, and Electro-Magnetic interactions provide us a deeper understanding of nuclear spin-isospin-type transitions. We first compare the strengths of analogous GT and M1 transitions in the A = 27, Tz = ±½ mirror nuclei 27Al and 27Si. The comparison is extended to the Tz = ±1, 0 nuclei. The strength of GT transition from the ground state (g.s.) of 42Ca to the 0.611 MeV first Jπ = 1+ state in 42Sc is compared with that of the analogous M1 transition from the 0.611 MeV state to the T = 1, 0+ g.s. (isobaric analog state: IAS) in 42Sc. The 0.611 MeV state has the property of Low-energy Super GT (LeSGT) state, because it carries the main part of the GT strength of all available transitions from the g.s. of 42Ca (and 42Ti) to the Jπ = 1+ GT states in 42Sc.

Enhancing transit polio vaccination in collaboration with targeted stakeholders in Kaduna State, Nigeria: Lessons learnt: 2014-2015.

PubMed

Musa, Audu; Abba, Bashir; Ningi, Adamu M I; Gali, Emanuel; Bawa, Samuel; Manneh, Fadninding; Mkanda, Pascal; Banda, Richard; Yehuluashet, Yared G; Tegegne, Sisay G; Umeh, Gregory; Nsubuga, Peter; Etsano, Andrew; Shuaib, Faisal; Mohammed, Ado; Vaz, Rui G

2016-10-10

In Kaduna State of Nigeria, the high influx of people from neighboring states with eligible children for polio vaccination represents a significant proportion of the target population. Many of these children are often missed by the vaccination team. The purpose of the study was to determine the contribution of targeted stakeholders in transit polio vaccination. We used the trends of vaccinated children at transit points, motor parks and markets, well as total children vaccinated by transit teams in Chikun, Igabi and Sabon Gari Local Government Areas (LGAs) of Kaduna State, Nigeria, four rounds before and after the introduction of transit polio vaccination with targeted stakeholders in Kaduna State. A total of 87,502 under-5 children were vaccinated by the various transit teams in the three LGAs, which accounted for 3.2% of the total 2,781,162 children vaccinated by the three LGAs. For transit point vaccination, the number of vaccinated children increased from 1026 to 19,289 (302%), while motor park vaccination increased from 1289 to 4106 (318%) and market vaccination increased from 10,488 to 14,511 (138%), four rounds after the introduction of transit polio vaccination with targeted stakeholders. Engagement of targeted stakeholders significantly enhanced transit polio vaccination in Kaduna State, Nigeria. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Pionic transitions from X(3872) to {chi}{sub cJ}

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

Dubynskiy, S.; Voloshin, M.B.; William, I.

2008-01-01

We consider transitions from the resonance X(3872) to the {chi}{sub cJ} states of charmonium with emission of one or two pions as a means of studying the structure of the X resonance. We find that the relative rates for these transitions to the final states with different J significantly depend on whether the initial state is a pure charmonium state or a four-quark/molecular state.

Laser control of reactions of photoswitching functional molecules.

PubMed

Tamura, Hiroyuki; Nanbu, Shinkoh; Ishida, Toshimasa; Nakamura, Hiroki

2006-07-21

Laser control schemes of reactions of photoswitching functional molecules are proposed based on the quantum mechanical wave-packet dynamics and the design of laser parameters. The appropriately designed quadratically chirped laser pulses can achieve nearly complete transitions of wave packet among electronic states. The laser parameters can be optimized by using the Zhu-Nakamura theory of nonadiabatic transition. This method is effective not only for the initial photoexcitation process but also for the pump and dump scheme in the middle of the overall photoswitching process. The effects of momentum of the wave packet crossing a conical intersection on the branching ratio of products have also been clarified. These control schemes mentioned above are successfully applied to the cyclohexadiene/hexatriene photoisomerization (ring-opening) process which is the reaction center of practical photoswitching molecules such as diarylethenes. The overall efficiency of the ring opening can be appreciably increased by using the appropriately designed laser pulses compared to that of the natural photoisomerization without any control schemes.

Better Bet-Hedging with coupled positive and negative feedback loops

NASA Astrophysics Data System (ADS)

Narula, Jatin; Igoshin, Oleg

2011-03-01

Bacteria use the phenotypic heterogeneity associated with bistable switches to distribute the risk of activating stress response strategies like sporulation and persistence. However bistable switches offer little control over the timing of phenotype switching and first passage times (FPT) for individual cells are found to be exponentially distributed. We show that a genetic circuit consisting of interlinked positive and negative feedback loops allows cells to control the timing of phenotypic switching. Using a mathematical model we find that in this system a stable high expression state and stable low expression limit cycle coexist and the FPT distribution for stochastic transitions between them shows multiple peaks at regular intervals. A multimodal FPT distribution allows cells to detect the persistence of stress and control the rate of phenotype transition of the population. We further show that extracellular signals from cell-cell communication that change the strength of the feedback loops can modulate the FPT distribution and allow cells even greater control in a bet-hedging strategy.

Construction of optimum controls and trajectories of motion of the center of masses of a spacecraft equipped with the solar sail and low-thrust engine, using quaternions and Kustaanheimo-Stiefel variables

NASA Astrophysics Data System (ADS)

Sapunkov, Ya. G.; Chelnokov, Yu. N.

2014-11-01

The problem of optimum rendezvous of a controllable spacecraft (SC) with an uncontrollable spacecraft, moving over a Keplerian elliptic orbit in the gravitational field of the Sun, is considered. Control of the SC is performed using a solar sail and low-thrust engine. For solving the problem, the regular quaternion equations of the two-body problem with the Kustaanheimo-Stiefel variables and the Pontryagin maximum principle are used. The combined integral quality functional, which characterizes energy consumption for controllable SC transition from an initial to final state and the time spent for this transition, is used as a minimized functional. The differential boundary-value optimization problems are formulated, and their first integrals are found. Examples of numerical solution of problems are presented. The paper develops the application [1-6] of quaternion regular equations with the Kustaanheimo-Stiefel variables in the space flight mechanics.

Dynamics of DNA methylation and Histone H4 acetylation during floral bud differentiation in azalea

PubMed Central

2010-01-01

Background The ability to control the timing of flowering is a key strategy for planning production in ornamental species such as azalea, however it requires a thorough understanding of floral transition. Floral transition is achieved through a complex genetic network and regulated by multiple environmental and endogenous cues. Dynamic changes between chromatin states facilitating or inhibiting DNA transcription regulate the expression of floral induction pathways in response to environmental and developmental signals. DNA methylation and histone modifications are involved in controlling the functional state of chromatin and gene expression. Results The results of this work indicate that epigenetic mechanisms such as DNA methylation and histone H4 acetylation have opposite and particular dynamics during the transition from vegetative to reproductive development in the apical shoots of azalea. Global levels of DNA methylation and histone H4 acetylation as well as immunodetection of 5-mdC and acetylated H4, in addition to a morphological study have permitted the delimitation of four basic phases in the development of the azalea bud and allowed the identification of a stage of epigenetic reprogramming which showed a sharp decrease of whole DNA methylation similar to that is defined in other developmental processes in plants and in mammals. Conclusion The epigenetic control and reorganization of chromatin seem to be decisive for coordinating floral development in azalea. DNA methylation and H4 deacetylation act simultaneously and co-ordinately, restructuring the chromatin and regulating the gene expression during soot apical meristem development and floral differentiation. PMID:20067625

Light signaling controls nuclear architecture reorganization during seedling establishment

PubMed Central

Bourbousse, Clara; Mestiri, Imen; Zabulon, Gerald; Bourge, Mickaël; Formiggini, Fabio; Koini, Maria A.; Brown, Spencer C.; Fransz, Paul; Bowler, Chris; Barneche, Fredy

2015-01-01

The spatial organization of chromatin can be subject to extensive remodeling in plant somatic cells in response to developmental and environmental signals. However, the mechanisms controlling these dynamic changes and their functional impact on nuclear activity are poorly understood. Here, we determined that light perception triggers a switch between two different nuclear architectural schemes during Arabidopsis postembryonic development. Whereas progressive nucleus expansion and heterochromatin rearrangements in cotyledon cells are achieved similarly under light and dark conditions during germination, the later steps that lead to mature nuclear phenotypes are intimately associated with the photomorphogenic transition in an organ-specific manner. The light signaling integrators DE-ETIOLATED 1 and CONSTITUTIVE PHOTOMORPHOGENIC 1 maintain heterochromatin in a decondensed state in etiolated cotyledons. In contrast, under light conditions cryptochrome-mediated photoperception releases nuclear expansion and heterochromatin compaction within conspicuous chromocenters. For all tested loci, chromatin condensation during photomorphogenesis does not detectably rely on DNA methylation-based processes. Notwithstanding, the efficiency of transcriptional gene silencing may be impacted during the transition, as based on the reactivation of transposable element-driven reporter genes. Finally, we report that global engagement of RNA polymerase II in transcription is highly increased under light conditions, suggesting that cotyledon photomorphogenesis involves a transition from globally quiescent to more active transcriptional states. Given these findings, we propose that light-triggered changes in nuclear architecture underlie interplays between heterochromatin reorganization and transcriptional reprogramming associated with the establishment of photosynthesis. PMID:25964332

Temperature dependence of the magneto-controllable first-order phase transition in dilute magnetic fluids

NASA Astrophysics Data System (ADS)

Ivanov, A. S.

2017-11-01

Experimental study was carried out to investigate the influence of particle size distribution function on the temperature dependent magneto-controllable first-order phase transition of the "gas-liquid" type in magnetic fluids. The study resolves one crisis situation in ferrohydrodynamic experiment made by several research groups in the 1980-1990s. It is shown that due to polydispersity magnetic fluids exhibit phase diagrams which are divided into three regions by vaporus and liquidus curves. Granulometric data states the primary role of the width of the particle size distribution function in the process of spinodal decomposition. New modified Langevin parameter is introduced for unification of liquidus curves of different ferrofluids despite the significant difference between the curves (one order of magnitude) in (H, T) coordinates.

Digital soil mapping as a tool for quantifying state-and-transition models

USDA-ARS?s Scientific Manuscript database

Ecological sites and associated state-and-transition models (STMs) are rapidly becoming important land management tools in rangeland systems in the US and around the world. Descriptions of states and transitions are largely developed from expert knowledge and generally accepted species and community...

Model-based estimation and control for off-axis parabolic mirror alignment

NASA Astrophysics Data System (ADS)

Fang, Joyce; Savransky, Dmitry

2018-02-01

This paper propose an model-based estimation and control method for an off-axis parabolic mirror (OAP) alignment. Current studies in automated optical alignment systems typically require additional wavefront sensors. We propose a self-aligning method using only focal plane images captured by the existing camera. Image processing methods and Karhunen-Loève (K-L) decomposition are used to extract measurements for the observer in closed-loop control system. Our system has linear dynamic in state transition, and a nonlinear mapping from the state to the measurement. An iterative extended Kalman filter (IEKF) is shown to accurately predict the unknown states, and nonlinear observability is discussed. Linear-quadratic regulator (LQR) is applied to correct the misalignments. The method is validated experimentally on the optical bench with a commercial OAP. We conduct 100 tests in the experiment to demonstrate the consistency in between runs.

Transition State Geometry Measurements from 13C Isotope Effects. The Experimental Transition State for the Epoxidation of Alkenes with Oxaziridines

PubMed Central

Hirschi, Jennifer S.; Takeya, Tetsuya; Hang, Chao; Singleton, Daniel A.

2009-01-01

We suggest here and evaluate a methodology for the measurement of specific interatomic distances from a combination of theoretical calculations and experimentally measured 13C kinetic isotope effects. This process takes advantage of a broad diversity of transition structures available for the epoxidation of 2-methyl-2-butene with oxaziridines. From the isotope effects calculated for these transition structures, a theory-independent relationship between the C-O bond distances of the newly forming bonds and the isotope effects is established. Within the precision of the measurement, this relationship in combination with the experimental isotope effects provides a highly accurate picture of the C-O bonds forming at the transition state. The diversity of transition structures also allows an evaluation of the Schramm process for defining transition state geometries based on calculations at non-stationary points, and the methodology is found to be reasonably accurate. PMID:19146405

Unconventional transformation of spin Dirac phase across a topological quantum phase transition

PubMed Central

Xu, Su-Yang; Neupane, Madhab; Belopolski, Ilya; Liu, Chang; Alidoust, Nasser; Bian, Guang; Jia, Shuang; Landolt, Gabriel; Slomski, Batosz; Dil, J. Hugo; Shibayev, Pavel P.; Basak, Susmita; Chang, Tay-Rong; Jeng, Horng-Tay; Cava, Robert J.; Lin, Hsin; Bansil, Arun; Hasan, M. Zahid

2015-01-01

The topology of a topological material can be encoded in its surface states. These surface states can only be removed by a bulk topological quantum phase transition into a trivial phase. Here we use photoemission spectroscopy to image the formation of protected surface states in a topological insulator as we chemically tune the system through a topological transition. Surprisingly, we discover an exotic spin-momentum locked, gapped surface state in the trivial phase that shares many important properties with the actual topological surface state in anticipation of the change of topology. Using a spin-resolved measurement, we show that apart from a surface bandgap these states develop spin textures similar to the topological surface states well before the transition. Our results offer a general paradigm for understanding how surface states in topological phases arise from a quantum phase transition and are suggestive for the future realization of Weyl arcs, condensed matter supersymmetry and other fascinating phenomena in the vicinity of a quantum criticality. PMID:25882717

Unconventional transformation of spin Dirac phase across a topological quantum phase transition

DOE PAGES

Xu, Su -Yang; Neupane, Madhab; Belopolski, Ilya; ...

2015-04-17

The topology of a topological material can be encoded in its surface states. These surface states can only be removed by a bulk topological quantum phase transition into a trivial phase. Here we use photoemission spectroscopy to image the formation of protected surface states in a topological insulator as we chemically tune the system through a topological transition. Surprisingly, we discover an exotic spin-momentum locked, gapped surface state in the trivial phase that shares many important properties with the actual topological surface state in anticipation of the change of topology. Using a spin-resolved measurement, we show that apart from amore » surface bandgap these states develop spin textures similar to the topological surface states well before the transition. Our results provide a general paradigm for understanding how surface states in topological phases arise from a quantum phase transition and are suggestive for the future realization of Weyl arcs, condensed matter supersymmetry and other fascinating phenomena in the vicinity of a quantum criticality.« less

Marcus Theory: Thermodynamics CAN Control the Kinetics of Electron Transfer Reactions

ERIC Educational Resources Information Center

Silverstein, Todd P.

2012-01-01

Although it is generally true that thermodynamics do not influence kinetics, this is NOT the case for electron transfer reactions in solution. Marcus Theory explains why this is so, using straightforward physical chemical principles such as transition state theory, Arrhenius' Law, and the Franck-Condon Principle. Here the background and…

Transitioning Young Adults with Autism: Hopes & Challenges for Parents

ERIC Educational Resources Information Center

Mookerjee, Veera

2012-01-01

Data generated by the Center for Disease Control (CDC) from the 2010 census indicates that out of four million children born in the United States "approximately 36,500 children will eventually be diagnosed with an [Autism Spectrum Disorder] ASD" ("http://www.cdc.gov/ncbddd/autism/data.html"). The process of caring for an…

Career Adapt-Abilities Scale-USA Form: Psychometric Properties and Relation to Vocational Identity

ERIC Educational Resources Information Center

Porfeli, Erik J.; Savickas, Mark L.

2012-01-01

This article reports construction and initial validation of the United States form of the Career Adapt-Abilities Scale (CAAS). The CAAS consists of four scales, each with six items, which measure concern, control, curiosity, and confidence as psychosocial resources for managing occupational transitions, developmental tasks, and work traumas.…

INDOOR AIR CONCENTRATIONS OF ORGANOCHLORINE, ORGANOPHOSPHATE AND PYRETHROID PESTICIDES IN THE US: FOUR STUDIES, SIX STATES AND TWENTY YEARS

EPA Science Inventory

Pesticides used to control indoor pests have transitioned across the chemicals classes of organochlorine, organophosphate, and pyrethroid compounds from the 1980's to the present. This work summarizes the pesticide concentrations measured from the indoor air of homes from four st...

75 FR 52328 - SFIREG Full Committee; Notice of Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-25

... Association of American Pesticide Control Officials (AAPCO), State FIFRA Issues Research and Evaluation Group... topics. DATES: The meeting will be held on Monday, September 20, 2010, from 8:30 a.m. to 5 p.m. To... topics for the meeting. 1. Transitioning insect repellents from, section 25(b) to section 3 status. 2...

76 FR 3890 - Notice of Public Information Collection(s) Being Reviewed by the Federal Communications...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-21

.... Respondents: State or Local, or Tribal Government. Number of Respondents and Responses: 77 respondents; 77... parties. If a local government seeks a declaratory ruling or a waiver, it must take steps to afford... notice might reasonably have reached. OMB Control Number: 3060-1105. Title: Digital TV Transition Status...