NASA Technical Reports Server (NTRS)
Button, Robert M (Inventor); Gonzalez, Marcelo C (Inventor)
2017-01-01
Some embodiments of the present invention describe a battery including a plurality of master-less controllers. Each controller is operatively connected to a corresponding cell in a string of cells, and each controller is configured to bypass a fraction of current around the corresponding cell when the corresponding cell has a greater charge than one or more other cells in the string of cells.
Modular Battery Charge Controller
NASA Technical Reports Server (NTRS)
Button, Robert; Gonzalez, Marcelo
2009-01-01
A new approach to masterless, distributed, digital-charge control for batteries requiring charge control has been developed and implemented. This approach is required in battery chemistries that need cell-level charge control for safety and is characterized by the use of one controller per cell, resulting in redundant sensors for critical components, such as voltage, temperature, and current. The charge controllers in a given battery interact in a masterless fashion for the purpose of cell balancing, charge control, and state-of-charge estimation. This makes the battery system invariably fault-tolerant. The solution to the single-fault failure, due to the use of a single charge controller (CC), was solved by implementing one CC per cell and linking them via an isolated communication bus [e.g., controller area network (CAN)] in a masterless fashion so that the failure of one or more CCs will not impact the remaining functional CCs. Each micro-controller-based CC digitizes the cell voltage (V(sub cell)), two cell temperatures, and the voltage across the switch (V); the latter variable is used in conjunction with V(sub cell) to estimate the bypass current for a given bypass resistor. Furthermore, CC1 digitizes the battery current (I1) and battery voltage (V(sub batt) and CC5 digitizes a second battery current (I2). As a result, redundant readings are taken for temperature, battery current, and battery voltage through the summation of the individual cell voltages given that each CC knows the voltage of the other cells. For the purpose of cell balancing, each CC periodically and independently transmits its cell voltage and stores the received cell voltage of the other cells in an array. The position in the array depends on the identifier (ID) of the transmitting CC. After eight cell voltage receptions, the array is checked to see if one or more cells did not transmit. If one or more transmissions are missing, the missing cell(s) is (are) eliminated from cell-balancing calculations. The cell-balancing algorithm is based on the error between the cell s voltage and the other cells and is categorized into four zones of operation. The algorithm is executed every second and, if cell balancing is activated, the error variable is set to a negative low value. The largest error between the cell and the other cells is found and the zone of operation determined. If the error is zero or negative, then the cell is at the lowest voltage and no balancing action is needed. If the error is less than a predetermined negative value, a Cell Bad Flag is set. If the error is positive, then cell balancing is needed, but a hysteretic zone is added to prevent the bypass circuit from triggering repeatedly near zero error. This approach keeps the cells within a predetermined voltage range.
Masterless Distributed Computing Over Mobile Devices
2012-09-01
Matrix Computations,” Handbooks in OR & MS, vol. 3, pp. 247–321, 1990. [18] R. Barrett et al ., Templates for the Solution of Linear Systems: Building...the truncated SVD of a matrix. The algorithm used in this thesis was developed by Halko , Martinsson, and Tropp in their journal article, Finding...experiments,” dodbuzz.com, 2011 . [Online]. Available: http://www.dodbuzz.com/ 2011 /06/06/army-begins-mobile- phone-experiments/. [Accessed: 15-Feb
Cost-Effective and Ecofriendly Plug-In Hybrid Electric Vehicle Charging Management
Kontou, Eleftheria; Yin, Yafeng; Ge, Ying-en
2017-01-01
In this study we explore two charging management schemes for plug-in hybrid electric vehicles (PHEVs). The PHEV drivers and the government were stakeholders who might have preferred different charging control strategies. For the former, a proposed controlled charging scheme minimized the operational cost during PHEV charge-depleting and sustaining modes. For the latter, the research minimized monetized carbon dioxide emissions from electricity generation for the PHEVs charging, as well as tailpipe emissions for the portion of PHEV trips fueled by gasoline. Hourly driving patterns and electricity data were leveraged. Both were representative of each of the eight North American Electric Reliabilitymore » Corporation regions to examine the results of the proposed schemes. The model accounted for drivers' activity patterns and charging availability spatial and temporal heterogeneity. The optimal charging profiles confirmed the differing nature of the objectives of PHEV drivers and the government; cost-effective charge should occur early in the morning, while ecofriendly charge should be late in the afternoon. Each control's trade-offs between operation cost and emission savings are discussed for each North American Electric Reliability Corporation region. The availability of workplace and public charging was found to affect the optimal charging profiles greatly. Charging control is more efficient for drivers and government when PHEVs have greater electric range.« less
Cost-Effective and Ecofriendly Plug-In Hybrid Electric Vehicle Charging Management
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kontou, Eleftheria; Yin, Yafeng; Ge, Ying-en
In this study we explore two charging management schemes for plug-in hybrid electric vehicles (PHEVs). The PHEV drivers and the government were stakeholders who might have preferred different charging control strategies. For the former, a proposed controlled charging scheme minimized the operational cost during PHEV charge-depleting and sustaining modes. For the latter, the research minimized monetized carbon dioxide emissions from electricity generation for the PHEVs charging, as well as tailpipe emissions for the portion of PHEV trips fueled by gasoline. Hourly driving patterns and electricity data were leveraged. Both were representative of each of the eight North American Electric Reliabilitymore » Corporation regions to examine the results of the proposed schemes. The model accounted for drivers' activity patterns and charging availability spatial and temporal heterogeneity. The optimal charging profiles confirmed the differing nature of the objectives of PHEV drivers and the government; cost-effective charge should occur early in the morning, while ecofriendly charge should be late in the afternoon. Each control's trade-offs between operation cost and emission savings are discussed for each North American Electric Reliability Corporation region. The availability of workplace and public charging was found to affect the optimal charging profiles greatly. Charging control is more efficient for drivers and government when PHEVs have greater electric range.« less
NASA Astrophysics Data System (ADS)
Ajiatmo, Dwi; Robandi, Imam
2017-03-01
This paper proposes a control scheme photovoltaic, battery and super capacitor connected in parallel for use in a solar vehicle. Based on the features of battery charging, the control scheme consists of three modes, namely, mode dynamic irradian, constant load mode and constant voltage charging mode. The shift of the three modes can be realized by controlling the duty cycle of the mosffet Boost converter system. Meanwhile, the high voltage which is more suitable for the application can be obtained. Compared with normal charging method with parallel connected current limiting detention and charging method with dynamic irradian mode, constant load mode and constant voltage charging mode, the control scheme is proposed to shorten the charging time and increase the use of power generated from the PV array. From the simulation results and analysis conducted to determine the performance of the system in state transient and steady-state by using simulation software Matlab / Simulink. Response simulation results demonstrate the suitability of the proposed concept.
Xie, Ying Peng; Yang, Yongqiang; Wang, Guosheng; Liu, Gang
2017-10-01
The solid-state Z-scheme trinary/binary heterostructures show the advantage of utilizing the high-energy photogenerated charge carriers in photocatalysis. However, the key factors controlling such Z-scheme in the binary heterostructures are still unclear. In this paper, we showed that oxygen vacancies could act as an interface electron transfer mediator to promote the direct Z-scheme charge transfer process in binary semiconductor heterostructures of CdS/ZnS. Increasing the concentration of surface oxygen vacancies of ZnO crystal can greatly enhance photocatalytic hydrogen generation of CdS/ZnO heterostructure. This was attributed to the strengthened direct Z-scheme charge transfer process in CdS/ZnO, as evidenced by steady-state/time-resolved photoluminescence spectroscopy and selective photodeposition of metal particles on the heterostructure. Copyright © 2017 Elsevier Inc. All rights reserved.
Charge Control Investigation of Rechargeable Lithium Cells
NASA Technical Reports Server (NTRS)
Otzinger, B.; Somoano, R.
1984-01-01
An ambient temperature rechargeable Li-TiS2 cell was cycled under conditions which simulate aerospace applications. A novel charge/discharge state-of-charge control scheme was used, together with tapered current charging, to overcome deleterious effects associated with end-of-charge and end-of-discharge voltages. The study indicates that Li-TiS2 cells hold promise for eventual synchronous satellite-type applications. Problem areas associated with performance degradation and reconditioning effects are identified.
Broadband and stable acoustic vortex emitter with multi-arm coiling slits
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jiang, Xue; Liang, Bin, E-mail: liangbin@nju.edu.cn, E-mail: eleqc@nus.edu.sg, E-mail: jccheng@nju.edu.cn; Zou, Xin-ye
2016-05-16
We present the analytical design and experimental realization of a scheme based on multi-arm coiling slits to generate the stable acoustic vortices in a broadband. The proposed structure is able to spiral the acoustic wave spatially and generate the twisted acoustic vortices with invariant topological charge for a long propagation distance. Compared with conventional methods which require the electronic control of a bulky loudspeaker, this scheme provides an effective and compact solution to generate acoustic vortices with controllable topological charge in the broadband, which offers more initiatives in the demanding applications.
Lithium-Ion Cell Charge-Control Unit Developed
NASA Technical Reports Server (NTRS)
Reid, Concha M.; Manzo, Michelle A.; Buton, Robert M.; Gemeiner, Russel
2005-01-01
A lithium-ion (Li-ion) cell charge-control unit was developed as part of a Li-ion cell verification program. This unit manages the complex charging scheme that is required when Li-ion cells are charged in series. It enables researchers to test cells together as a pack, while allowing each cell to charge individually. This allows the inherent cell-to-cell variations to be addressed on a series string of cells and reduces test costs substantially in comparison to individual cell testing.
Heo, Jino; Hong, Chang-Ho; Kang, Min-Sung; Yang, Hyeon; Yang, Hyung-Jin; Hong, Jong-Phil; Choi, Seong-Gon
2017-11-02
We propose a controlled quantum teleportation scheme to teleport an unknown state based on the interactions between flying photons and quantum dots (QDs) confined within single- and double-sided cavities. In our scheme, users (Alice and Bob) can teleport the unknown state through a secure entanglement channel under the control and distribution of an arbitrator (Trent). For construction of the entanglement channel, Trent utilizes the interactions between two photons and the QD-cavity system, which consists of a charged QD (negatively charged exciton) inside a single-sided cavity. Subsequently, Alice can teleport the unknown state of the electron spin in a QD inside a double-sided cavity to Bob's electron spin in a QD inside a single-sided cavity assisted by the channel information from Trent. Furthermore, our scheme using QD-cavity systems is feasible with high fidelity, and can be experimentally realized with current technologies.
On the Control of the Fixed Charge Densities in Al2O3-Based Silicon Surface Passivation Schemes.
Simon, Daniel K; Jordan, Paul M; Mikolajick, Thomas; Dirnstorfer, Ingo
2015-12-30
A controlled field-effect passivation by a well-defined density of fixed charges is crucial for modern solar cell surface passivation schemes. Al2O3 nanolayers grown by atomic layer deposition contain negative fixed charges. Electrical measurements on slant-etched layers reveal that these charges are located within a 1 nm distance to the interface with the Si substrate. When inserting additional interface layers, the fixed charge density can be continuously adjusted from 3.5 × 10(12) cm(-2) (negative polarity) to 0.0 and up to 4.0 × 10(12) cm(-2) (positive polarity). A HfO2 interface layer of one or more monolayers reduces the negative fixed charges in Al2O3 to zero. The role of HfO2 is described as an inert spacer controlling the distance between Al2O3 and the Si substrate. It is suggested that this spacer alters the nonstoichiometric initial Al2O3 growth regime, which is responsible for the charge formation. On the basis of this charge-free HfO2/Al2O3 stack, negative or positive fixed charges can be formed by introducing additional thin Al2O3 or SiO2 layers between the Si substrate and this HfO2/Al2O3 capping layer. All stacks provide very good passivation of the silicon surface. The measured effective carrier lifetimes are between 1 and 30 ms. This charge control in Al2O3 nanolayers allows the construction of zero-fixed-charge passivation layers as well as layers with tailored fixed charge densities for future solar cell concepts and other field-effect based devices.
Band Alignment and Charge Transfer in Complex Oxide Interfaces
NASA Astrophysics Data System (ADS)
Zhong, Zhicheng; Hansmann, Philipp
2017-01-01
The synthesis of transition metal heterostructures is currently one of the most vivid fields in the design of novel functional materials. In this paper, we propose a simple scheme to predict band alignment and charge transfer in complex oxide interfaces. For semiconductor heterostructures, band-alignment rules like the well-known Anderson or Schottky-Mott rule are based on comparison of the work function or electron affinity of the bulk components. This scheme breaks down for oxides because of the invalidity of a single work-function approximation as recently shown in [Phys. Rev. B 93, 235116 (2016), 10.1103/PhysRevB.93.235116; Adv. Funct. Mater. 26, 5471 (2016), 10.1002/adfm.201600243]. Here, we propose a new scheme that is built on a continuity condition of valence states originating in the compounds' shared network of oxygen. It allows for the prediction of sign and relative amplitude of the intrinsic charge transfer, taking as input only information about the bulk properties of the components. We support our claims by numerical density functional theory simulations as well as (where available) experimental evidence. Specific applications include (i) controlled doping of SrTiO3 layers with the use of 4 d and 5 d transition metal oxides and (ii) the control of magnetic ordering in manganites through tuned charge transfer.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chertkov, Michael; Turitsyn, Konstantin; Sulc, Petr
The anticipated increase in the number of plug-in electric vehicles (EV) will put additional strain on electrical distribution circuits. Many control schemes have been proposed to control EV charging. Here, we develop control algorithms based on randomized EV charging start times and simple one-way broadcast communication allowing for a time delay between communication events. Using arguments from queuing theory and statistical analysis, we seek to maximize the utilization of excess distribution circuit capacity while keeping the probability of a circuit overload negligible.
Controlling charge on levitating drops.
Hilger, Ryan T; Westphall, Michael S; Smith, Lloyd M
2007-08-01
Levitation technologies are used in containerless processing of materials, as microscale manipulators and reactors, and in the study of single drops and particles. Presented here is a method for controlling the amount and polarity of charge on a levitating drop. The method uses single-axis acoustic levitation to trap and levitate a single, initially neutral drop with a diameter between 400 microm and 2 mm. This drop is then charged in a controllable manner using discrete packets of charge in the form of charged drops produced by a piezoelectric drop-on-demand dispenser equipped with a charging electrode. The magnitude of the charge on the dispensed drops can be adjusted by varying the voltage applied to the charging electrode. The polarity of the charge on the added drops can be changed allowing removal of charge from the trapped drop (by neutralization) and polarity reversal. The maximum amount of added charge is limited by repulsion of like charges between the drops in the trap. This charging scheme can aid in micromanipulation and the study of charged drops and particles using levitation.
NASA Astrophysics Data System (ADS)
Kazakova, E. I.; Medvedev, A. N.; Kolomytseva, A. O.; Demina, M. I.
2017-11-01
The paper presents a mathematical model of blasting schemes management in presence of random disturbances. Based on the lemmas and theorems proved, a control functional is formulated, which is stable. A universal classification of blasting schemes is developed. The main classification attributes are suggested: the orientation in plan the charging wells rows relatively the block of rocks; the presence of cuts in the blasting schemes; the separation of the wells series onto elements; the sequence of the blasting. The periodic regularity of transition from one Short-delayed scheme of blasting to another is proved.
Subdecoherence time generation and detection of orbital entanglement in quantum dots.
Brange, F; Malkoc, O; Samuelsson, P
2015-05-01
Recent experiments have demonstrated subdecoherence time control of individual single-electron orbital qubits. Here we propose a quantum-dot-based scheme for generation and detection of pairs of orbitally entangled electrons on a time scale much shorter than the decoherence time. The electrons are entangled, via two-particle interference, and transferred to the detectors during a single cotunneling event, making the scheme insensitive to charge noise. For sufficiently long detector dot lifetimes, cross-correlation detection of the dot charges can be performed with real-time counting techniques, providing for an unambiguous short-time Bell inequality test of orbital entanglement.
Proceedings of the Spacecraft Charging Technology Conference: Executive Summary
NASA Technical Reports Server (NTRS)
Pike, C. P.; Whipple, E. C., Jr.; Stevens, N. J.; Minges, M. L.; Lehn, W. L.; Bunn, M. H.
1977-01-01
Aerospace environments are reviewed in reference to spacecraft charging. Modelling, a theoretical scheme which can be used to describe the structure of the sheath around the spacecraft and to calculate the charging currents within, is discussed. Materials characterization is considered for experimental determination of the behavior of typical spacecraft materials when exposed to simulated geomagnetic substorm conditions. Materials development is also examined for controlling and minimizing spacecraft charging or at least for distributing the charge in an equipotential manner, using electrical conductive surfaces for materials exposed to space environment.
Geosynchronous Performance of a Lithium-titanium Disulfide Battery
NASA Technical Reports Server (NTRS)
Otzinger, B.
1985-01-01
An ambient temperature rechargeable Lithium-Titanium disulfide (Li-TiS2) five cell battery has completed the first orbital year of accelerated synchronous orbit testing. A novel charge/discharge, state of charge (SOC) control scheme is utilized, together with taper current charge backup to overcome deleterious effects associated with high end of charge and low end of discharge voltages. It is indicated that 10 orbital years of simulated synchronous operation may be achieved. Preliminary findings associated with cell matching and battery performance are identified.
Laser pulse control of ultrafast heterogeneous electron transfer: a computational study.
Wang, Luxia; May, Volkhard
2004-10-22
Laser pulse control of the photoinduced 90 fs charge injection from perylene into the conduction band of TiO2 is studied theoretically. The approach accounts for the electronic-ground state of the dye, the first excited state, the ionized state formed after charge injection, and the continuum of the electronic states in the conduction band, all defined vs a single reaction coordinate. To address different control tasks optimal control theory is combined with a full quantum dynamical description of the electron-vibrational motion accompanying the charge injection process. First it is proved in which way the charge injection time can be changed by tailored laser pulses. In a second step a pump-dump scheme from the perylene ground state to the first excited electronic state and back to the ground state is discussed. Because of the strong coupling of the excited perylene state to the band continuum of TiO2 this control task is more suited to an experimental test than the direct control of the charge injection.
NASA Astrophysics Data System (ADS)
Zhang, Chengxian; Throckmorton, Robert; Yang, Xu-Chen; Wang, Xin; Barnes, Edwin
We perform Randomized Benchmarking of a family of recently introduced control scheme for singlet-triplet qubits in semiconductor double quantum dots, which is optimized to have substantially shorter gate times. We study their performances under the recently introduced symmetric control scheme of changing the exchange interaction by raising and lowering the barrier between the two dots (barrier control) and compare these results to those under the traditional tilt control method in which the exchange interaction is varied by detuning. It has been suggested that the barrier control method encounters a much smaller charge noise. We found that for the cases where the charge noise is dominant, corresponding to the device made on isotopically enriched silicon, the optimized sequences offer much longer coherence time under barrier control compared to the tilt control method of the strength of the exchange interaction. This work was supported by the Research Grants Council of Hong Kong SAR (No. CityU 21300116) and the National Natural Science Foundation of China (No. 11604277), and by LPS-MPO-CMTC.
Master-slave control scheme in electric vehicle smart charging infrastructure.
Chung, Ching-Yen; Chynoweth, Joshua; Chu, Chi-Cheng; Gadh, Rajit
2014-01-01
WINSmartEV is a software based plug-in electric vehicle (PEV) monitoring, control, and management system. It not only incorporates intelligence at every level so that charge scheduling can avoid grid bottlenecks, but it also multiplies the number of PEVs that can be plugged into a single circuit. This paper proposes, designs, and executes many upgrades to WINSmartEV. These upgrades include new hardware that makes the level 1 and level 2 chargers faster, more robust, and more scalable. It includes algorithms that provide a more optimal charge scheduling for the level 2 (EVSE) and an enhanced vehicle monitoring/identification module (VMM) system that can automatically identify PEVs and authorize charging.
Master-Slave Control Scheme in Electric Vehicle Smart Charging Infrastructure
Chung, Ching-Yen; Chynoweth, Joshua; Chu, Chi-Cheng; Gadh, Rajit
2014-01-01
WINSmartEV is a software based plug-in electric vehicle (PEV) monitoring, control, and management system. It not only incorporates intelligence at every level so that charge scheduling can avoid grid bottlenecks, but it also multiplies the number of PEVs that can be plugged into a single circuit. This paper proposes, designs, and executes many upgrades to WINSmartEV. These upgrades include new hardware that makes the level 1 and level 2 chargers faster, more robust, and more scalable. It includes algorithms that provide a more optimal charge scheduling for the level 2 (EVSE) and an enhanced vehicle monitoring/identification module (VMM) system that can automatically identify PEVs and authorize charging. PMID:24982956
Threshold-Based Random Charging Scheme for Decentralized PEV Charging Operation in a Smart Grid.
Kwon, Ojin; Kim, Pilkee; Yoon, Yong-Jin
2016-12-26
Smart grids have been introduced to replace conventional power distribution systems without real time monitoring for accommodating the future market penetration of plug-in electric vehicles (PEVs). When a large number of PEVs require simultaneous battery charging, charging coordination techniques have become one of the most critical factors to optimize the PEV charging performance and the conventional distribution system. In this case, considerable computational complexity of a central controller and exchange of real time information among PEVs may occur. To alleviate these problems, a novel threshold-based random charging (TBRC) operation for a decentralized charging system is proposed. Using PEV charging thresholds and random access rates, the PEVs themselves can participate in the charging requests. As PEVs with a high battery state do not transmit the charging requests to the central controller, the complexity of the central controller decreases due to the reduction of the charging requests. In addition, both the charging threshold and the random access rate are statistically calculated based on the average of supply power of the PEV charging system that do not require a real time update. By using the proposed TBRC with a tolerable PEV charging degradation, a 51% reduction of the PEV charging requests is achieved.
Threshold-Based Random Charging Scheme for Decentralized PEV Charging Operation in a Smart Grid
Kwon, Ojin; Kim, Pilkee; Yoon, Yong-Jin
2016-01-01
Smart grids have been introduced to replace conventional power distribution systems without real time monitoring for accommodating the future market penetration of plug-in electric vehicles (PEVs). When a large number of PEVs require simultaneous battery charging, charging coordination techniques have become one of the most critical factors to optimize the PEV charging performance and the conventional distribution system. In this case, considerable computational complexity of a central controller and exchange of real time information among PEVs may occur. To alleviate these problems, a novel threshold-based random charging (TBRC) operation for a decentralized charging system is proposed. Using PEV charging thresholds and random access rates, the PEVs themselves can participate in the charging requests. As PEVs with a high battery state do not transmit the charging requests to the central controller, the complexity of the central controller decreases due to the reduction of the charging requests. In addition, both the charging threshold and the random access rate are statistically calculated based on the average of supply power of the PEV charging system that do not require a real time update. By using the proposed TBRC with a tolerable PEV charging degradation, a 51% reduction of the PEV charging requests is achieved. PMID:28035963
Clark, Susan M; Fu, Kai-Mei C; Ladd, Thaddeus D; Yamamoto, Yoshihisa
2007-07-27
We describe a fast quantum computer based on optically controlled electron spins in charged quantum dots that are coupled to microcavities. This scheme uses broadband optical pulses to rotate electron spins and provide the clock signal to the system. Nonlocal two-qubit gates are performed by phase shifts induced by electron spins on laser pulses propagating along a shared waveguide. Numerical simulations of this scheme demonstrate high-fidelity single-qubit and two-qubit gates with operation times comparable to the inverse Zeeman frequency.
Regulation control and energy management scheme for wireless power transfer
Miller, John M.
2015-12-29
Power transfer rate at a charging facility can be maximized by employing a feedback scheme. The state of charge (SOC) and temperature of the regenerative energy storage system (RESS) pack of a vehicle is monitored to determine the load due to the RESS pack. An optimal frequency that cancels the imaginary component of the input impedance for the output signal from a grid converter is calculated from the load of the RESS pack, and a frequency offset f* is made to the nominal frequency f.sub.0 of the grid converter output based on the resonance frequency of a magnetically coupled circuit. The optimal frequency can maximize the efficiency of the power transfer. Further, an optimal grid converter duty ratio d* can be derived from the charge rate of the RESS pack. The grid converter duty ratio d* regulates wireless power transfer (WPT) power level.
Techniques to control and position laser targets. Final report
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jones, T.B.
1978-06-01
The purpose of the work was to investigate the potential role of various electrohydrodynamic phenomena in the fabrication of small spherical particles and shells for laser target applications. A number of topics were considered. These included charged droplet levitation, specifically the combined effects of the Rayleigh limit and droplet elongation in the presence of electric fields. Two new levitation schemes for uncharged dielectric particles were studied. A dynamic dielectrophoretic levitation scheme was proposed and unsuccessful attempts were made to observe levitation with it. Another static dielectrophoretic levitation scheme was studied and used extensively. A theory was developed for this typemore » of levitation, and a dielectric constant measurement scheme proposed. A charged droplet generator for the production of single droplets (< 1 mm dia of insulating liquids was developed. The synchronous DEP pumping of bubbles and spheres has been considered. Finally, some preliminary experiments with SiH/sub 4//O/sub 2/ bubbles in Viscasil silicone fluid were conducted to learn about the possibility of using silane to form SiO/sub 2/ microballons from bubbles.« less
Development of Tailorable Electrically Conductive Thermal Control Material Systems
NASA Technical Reports Server (NTRS)
Deshpande, M. S.; Harada, Y.
1998-01-01
The optical characteristics of surfaces on spacecraft are fundamental parameters in controlling its temperature. Passive thermal control coatings with designed solar absorptance and infrared emittance properties have been developed and been in use for some time. In this total space environment, the coating must be stable and maintain its desired optical properties for the course of the mission lifetime. The mission lifetimes are increasing and in our quest to save weight, newer substrates are being integrated which limit electrical grounding schemes. All of this has already added to the existing concerns about spacecraft charging and related spacecraft failures or operational failures. The concern is even greater for thermal control surfaces that are very large. One way of alleviating such concerns is to design new thermal control material systems (TCMS) that can help to mitigate charging via providing charge leakage paths. The object of this program was to develop two types of passive electrically conductive TCMS.
Moraes, Celso; Myung, Sunghee; Lee, Sangkeum; Har, Dongsoo
2017-01-10
Provision of energy to wireless sensor networks is crucial for their sustainable operation. Sensor nodes are typically equipped with batteries as their operating energy sources. However, when the sensor nodes are sited in almost inaccessible locations, replacing their batteries incurs high maintenance cost. Under such conditions, wireless charging of sensor nodes by a mobile charger with an antenna can be an efficient solution. When charging distributed sensor nodes, a directional antenna, rather than an omnidirectional antenna, is more energy-efficient because of smaller proportion of off-target radiation. In addition, for densely distributed sensor nodes, it can be more effective for some undercharged sensor nodes to harvest energy from neighboring overcharged sensor nodes than from the remote mobile charger, because this reduces the pathloss of charging signal due to smaller distances. In this paper, we propose a hybrid charging scheme that combines charging by a mobile charger with a directional antenna, and energy trading, e.g., transferring and harvesting, between neighboring sensor nodes. The proposed scheme is compared with other charging scheme. Simulations demonstrate that the hybrid charging scheme with a directional antenna achieves a significant reduction in the total charging time required for all sensor nodes to reach a target energy level.
Moraes, Celso; Myung, Sunghee; Lee, Sangkeum; Har, Dongsoo
2017-01-01
Provision of energy to wireless sensor networks is crucial for their sustainable operation. Sensor nodes are typically equipped with batteries as their operating energy sources. However, when the sensor nodes are sited in almost inaccessible locations, replacing their batteries incurs high maintenance cost. Under such conditions, wireless charging of sensor nodes by a mobile charger with an antenna can be an efficient solution. When charging distributed sensor nodes, a directional antenna, rather than an omnidirectional antenna, is more energy-efficient because of smaller proportion of off-target radiation. In addition, for densely distributed sensor nodes, it can be more effective for some undercharged sensor nodes to harvest energy from neighboring overcharged sensor nodes than from the remote mobile charger, because this reduces the pathloss of charging signal due to smaller distances. In this paper, we propose a hybrid charging scheme that combines charging by a mobile charger with a directional antenna, and energy trading, e.g., transferring and harvesting, between neighboring sensor nodes. The proposed scheme is compared with other charging scheme. Simulations demonstrate that the hybrid charging scheme with a directional antenna achieves a significant reduction in the total charging time required for all sensor nodes to reach a target energy level. PMID:28075372
NASA Astrophysics Data System (ADS)
Zhu, Wenlong; Ma, Shoufeng; Tian, Junfang
2017-01-01
This paper investigates the revenue-neutral tradable credit charge and reward scheme without initial credit allocations that can reassign network traffic flow patterns to optimize congestion and emissions. First, we prove the existence of the proposed schemes and further decentralize the minimum emission flow pattern to user equilibrium. Moreover, we design the solving method of the proposed credit scheme for minimum emission problem. Second, we investigate the revenue-neutral tradable credit charge and reward scheme without initial credit allocations for bi-objectives to obtain the Pareto system optimum flow patterns of congestion and emissions; and present the corresponding solutions are located in the polyhedron constituted by some inequalities and equalities system. Last, numerical example based on a simple traffic network is adopted to obtain the proposed credit schemes and verify they are revenue-neutral.
Weis, Allison; Michalek, Jeremy J; Jaramillo, Paulina; Lueken, Roger
2015-05-05
We develop a unit commitment and economic dispatch model to estimate the operation costs and the air emissions externality costs attributable to new electric vehicle electricity demand under controlled vs uncontrolled charging schemes. We focus our analysis on the PJM Interconnection and use scenarios that characterize (1) the most recent power plant fleet for which sufficient data are available, (2) a hypothetical 2018 power plant fleet that reflects upcoming plant retirements, and (3) the 2018 fleet with increased wind capacity. We find that controlled electric vehicle charging can reduce associated generation costs by 23%-34% in part by shifting loads to lower-cost, higher-emitting coal plants. This shift results in increased externality costs of health and environmental damages from increased air pollution. On balance, we find that controlled charging of electric vehicles produces negative net social benefits in the recent PJM grid but could have positive net social benefits in a future grid with sufficient coal retirements and wind penetration.
Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.
2013-01-01
The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol−1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol−1). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning. PMID:24320250
Rocklin, Gabriel J; Mobley, David L; Dill, Ken A; Hünenberger, Philippe H
2013-11-14
The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol(-1)) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol(-1)). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.
NASA Astrophysics Data System (ADS)
Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.
2013-11-01
The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol-1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol-1). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.
Namdeo, Anil; Mitchell, Gordon
2008-01-01
This paper presents the impact of road user charging (RUC) on vehicle emissions through application of traffic assignment and pollutant emission models. It presents results of an analysis of five RUC schemes on vehicle emissions in Leeds, UK for 2005. The schemes were: a 3 pound sterling inner ring road cordon charge; a double cordon with a 2 pound sterling inner ring road and a 1 pound sterling outer ring road charge; and distance charges of 2, 10 and 20 p/km levied for travel within the outer cordon. Schemes were compared to a no charge option and results presented here. Emissions are significantly reduced within the inner cordon, whilst beyond the cordon, localised increases and decreases occur. The double cordon exhibits a similar but less marked pattern. Distance charging reduces city-wide emissions by 10% under a 2 p/km charge, 42-49% under a 10 p/km charge and 52-59% under a 20 p/km charge. The higher distance charges reduce emissions within the charge zone, and are also associated with elevated emissions outside the zone, but to a lesser extent than that observed for cordon charging.
The effectiveness of Hong Kong's Construction Waste Disposal Charging Scheme.
Hao, Jane L; Hills, Martin J; Tam, Vivian W Y
2008-12-01
The Hong Kong Government introduced the Construction Waste Disposal Charging Scheme in December 2005 to ensure that disposal of construction and demolition (C&D) waste is properly priced to reduce such waste. The charging scheme is not only intended to provide an economic incentive for contractors and developers to reduce waste but also to encourage reuse and recycling of waste material thereby slowing down the depletion of limited landfill and public filling capacities. This paper examines the effectiveness of the charging scheme 1 year after implementation. A survey was conducted at Tseung Kwan O Area 137 and Tuen Mun Area 38, and daily C&D waste records were collected from landfills and public filling facilities between January 2006 and December 2006. The results of the survey show that waste has been reduced by approximately 60% in landfills, by approximately 23% in public fills, and by approximately 65% in total waste between 2005 and 2006. Suggestions for improving the scheme are provided.
Improved performance of laser wakefield acceleration by tailored self-truncated ionization injection
NASA Astrophysics Data System (ADS)
Irman, A.; Couperus, J. P.; Debus, A.; Köhler, A.; Krämer, J. M.; Pausch, R.; Zarini, O.; Schramm, U.
2018-04-01
We report on tailoring ionization-induced injection in laser wakefield acceleration so that the electron injection process is self-truncating following the evolution of the plasma bubble. Robust generation of high-quality electron beams with shot-to-shot fluctuations of the beam parameters better than 10% is presented in detail. As a novelty, the scheme was found to enable well-controlled yet simple tuning of the injected charge while preserving acceleration conditions and beam quality. Quasi-monoenergetic electron beams at several 100 MeV energy and 15% relative energy spread were routinely demonstrated with a total charge of the monoenergetic feature reaching 0.5 nC. Finally these unique beam parameters, suggesting unprecedented peak currents of several 10 kA, are systematically related to published data on alternative injection schemes.
Model Based Optimal Control, Estimation, and Validation of Lithium-Ion Batteries
NASA Astrophysics Data System (ADS)
Perez, Hector Eduardo
This dissertation focuses on developing and experimentally validating model based control techniques to enhance the operation of lithium ion batteries, safely. An overview of the contributions to address the challenges that arise are provided below. Chapter 1: This chapter provides an introduction to battery fundamentals, models, and control and estimation techniques. Additionally, it provides motivation for the contributions of this dissertation. Chapter 2: This chapter examines reference governor (RG) methods for satisfying state constraints in Li-ion batteries. Mathematically, these constraints are formulated from a first principles electrochemical model. Consequently, the constraints explicitly model specific degradation mechanisms, such as lithium plating, lithium depletion, and overheating. This contrasts with the present paradigm of limiting measured voltage, current, and/or temperature. The critical challenges, however, are that (i) the electrochemical states evolve according to a system of nonlinear partial differential equations, and (ii) the states are not physically measurable. Assuming available state and parameter estimates, this chapter develops RGs for electrochemical battery models. The results demonstrate how electrochemical model state information can be utilized to ensure safe operation, while simultaneously enhancing energy capacity, power, and charge speeds in Li-ion batteries. Chapter 3: Complex multi-partial differential equation (PDE) electrochemical battery models are characterized by parameters that are often difficult to measure or identify. This parametric uncertainty influences the state estimates of electrochemical model-based observers for applications such as state-of-charge (SOC) estimation. This chapter develops two sensitivity-based interval observers that map bounded parameter uncertainty to state estimation intervals, within the context of electrochemical PDE models and SOC estimation. Theoretically, this chapter extends the notion of interval observers to PDE models using a sensitivity-based approach. Practically, this chapter quantifies the sensitivity of battery state estimates to parameter variations, enabling robust battery management schemes. The effectiveness of the proposed sensitivity-based interval observers is verified via a numerical study for the range of uncertain parameters. Chapter 4: This chapter seeks to derive insight on battery charging control using electrochemistry models. Directly using full order complex multi-partial differential equation (PDE) electrochemical battery models is difficult and sometimes impossible to implement. This chapter develops an approach for obtaining optimal charge control schemes, while ensuring safety through constraint satisfaction. An optimal charge control problem is mathematically formulated via a coupled reduced order electrochemical-thermal model which conserves key electrochemical and thermal state information. The Legendre-Gauss-Radau (LGR) pseudo-spectral method with adaptive multi-mesh-interval collocation is employed to solve the resulting nonlinear multi-state optimal control problem. Minimum time charge protocols are analyzed in detail subject to solid and electrolyte phase concentration constraints, as well as temperature constraints. The optimization scheme is examined using different input current bounds, and an insight on battery design for fast charging is provided. Experimental results are provided to compare the tradeoffs between an electrochemical-thermal model based optimal charge protocol and a traditional charge protocol. Chapter 5: Fast and safe charging protocols are crucial for enhancing the practicality of batteries, especially for mobile applications such as smartphones and electric vehicles. This chapter proposes an innovative approach to devising optimally health-conscious fast-safe charge protocols. A multi-objective optimal control problem is mathematically formulated via a coupled electro-thermal-aging battery model, where electrical and aging sub-models depend upon the core temperature captured by a two-state thermal sub-model. The Legendre-Gauss-Radau (LGR) pseudo-spectral method with adaptive multi-mesh-interval collocation is employed to solve the resulting highly nonlinear six-state optimal control problem. Charge time and health degradation are therefore optimally traded off, subject to both electrical and thermal constraints. Minimum-time, minimum-aging, and balanced charge scenarios are examined in detail. Sensitivities to the upper voltage bound, ambient temperature, and cooling convection resistance are investigated as well. Experimental results are provided to compare the tradeoffs between a balanced and traditional charge protocol. Chapter 6: This chapter provides concluding remarks on the findings of this dissertation and a discussion of future work.
Charge Management in LISA Pathfinder: The Continuous Discharging Experiment
NASA Astrophysics Data System (ADS)
Ewing, Becca Elizabeth
2018-01-01
Test mass charging is a significant source of excess force and force noise in LISA Pathfinder (LPF). The planned design scheme for mitigation of charge induced force noise in LISA is a continuous discharge by UV light illumination. We report on analysis of a charge management experiment on-board LPF conducted during December 2016. We discuss the measurement of test mass charging noise with and without continuous UV illumination, in addition to the dynamic response in the continuous discharge scheme. Results of the continuous discharge system will be discussed for their application to operating LISA with lower test mass charge.
Optimal Coordinated EV Charging with Reactive Power Support in Constrained Distribution Grids
DOE Office of Scientific and Technical Information (OSTI.GOV)
Paudyal, Sumit; Ceylan, Oğuzhan; Bhattarai, Bishnu P.
Electric vehicle (EV) charging/discharging can take place in any P-Q quadrants, which means EVs could support reactive power to the grid while charging the battery. In controlled charging schemes, distribution system operator (DSO) coordinates with the charging of EV fleets to ensure grid’s operating constraints are not violated. In fact, this refers to DSO setting upper bounds on power limits for EV charging. In this work, we demonstrate that if EVs inject reactive power into the grid while charging, DSO could issue higher upper bounds on the active power limits for the EVs for the same set of grid constraints.more » We demonstrate the concept in an 33-node test feeder with 1,500 EVs. Case studies show that in constrained distribution grids in coordinated charging, average costs of EV charging could be reduced if the charging takes place in the fourth P-Q quadrant compared to charging with unity power factor.« less
Multiplexed charge-locking device for large arrays of quantum devices
NASA Astrophysics Data System (ADS)
Puddy, R. K.; Smith, L. W.; Al-Taie, H.; Chong, C. H.; Farrer, I.; Griffiths, J. P.; Ritchie, D. A.; Kelly, M. J.; Pepper, M.; Smith, C. G.
2015-10-01
We present a method of forming and controlling large arrays of gate-defined quantum devices. The method uses an on-chip, multiplexed charge-locking system and helps to overcome the restraints imposed by the number of wires available in cryostat measurement systems. The device architecture that we describe here utilises a multiplexer-type scheme to lock charge onto gate electrodes. The design allows access to and control of gates whose total number exceeds that of the available electrical contacts and enables the formation, modulation and measurement of large arrays of quantum devices. We fabricate such devices on n-type GaAs/AlGaAs substrates and investigate the stability of the charge locked on to the gates. Proof-of-concept is shown by measurement of the Coulomb blockade peaks of a single quantum dot formed by a floating gate in the device. The floating gate is seen to drift by approximately one Coulomb oscillation per hour.
Polaris Instrument Development and PARI Experience
NASA Astrophysics Data System (ADS)
Stewart, Nathan
2011-01-01
At the Pisgah Astronomical Research Institute (PARI) in Rosman, NC I spent 8 weeks as the NC Space Grant/J. Donald Cline Astronomy Scholar. I developed multiple projects and assisted as a mentor to PARI Space Science Lab and Duke TIP high school gifted student program which both took place during my stay. My main focus was the development of the Polaris imaging telescope. This telescope is used to take images of the pulsating variable star Polaris. These readings are used to make seeing estimates for the air column above PARI. The system stores and archives images and analyzes them for magnitude change and movement of the stellar image. In addition to the Polaris project I developed a solar panel voltage and charge monitoring system which involved me working with charge controllers and photovoltaic technology. I developed a charging scheme using Flexmax 60 charge controller. Data is recorded and transmitted via optical fiber for analysis and correlation with solar zenith angle.
NASA Astrophysics Data System (ADS)
Rajesh, Asam; Bandyopadhyay, Malay; Jayannavar, Arun M.
2017-12-01
In this work, we consider two different techniques based on reservoir engineering process and quantum Zeno control method to analyze the decoherence control mechanism of a charged magneto-oscillator in contact with different type of environment. Our analysis reveals that both the control mechanisms are very much sensitive on the details of different environmental spectrum (J (ω)), and also on different system and reservoir parameters, e.g., external magnetic field (rc), confinement length (r0), temperature (T), cut-off frequency of reservoir spectrum (ωcut), and measurement interval (τ). We also demonstrate the manipulation scheme of the continuous passage from decay suppression to decay acceleration by tuning the above mentioned system or reservoir parameters, e.g., rc, r0, T and τ.
Quantum memory on a charge qubit in an optical microresonator
NASA Astrophysics Data System (ADS)
Tsukanov, A. V.
2017-10-01
A quantum-memory unit scheme on the base of a semiconductor structure with quantum dots is proposed. The unit includes a microresonator with single and double quantum dots performing frequencyconverter and charge-qubit functions, respectively. The writing process is carried out in several stages and it is controlled by optical fields of the resonator and laser. It is shown that, to achieve high writing probability, it is necessary to use high-Q resonators and to be able to suppress relaxation processes in quantum dots.
Control Scheme for Quickly Starting X-ray Tube
NASA Astrophysics Data System (ADS)
Nakahama, Masayuki; Nakanishi, Toshiki; Ishitobi, Manabu; Ito, Tuyoshi; Hosoda, Kenichi
A control scheme for quickly starting a portable X-ray generator used in the livestock industry is proposed in this paper. A portable X-ray generator used to take X-ray images of animals such as horses, sheep and dogs should be capable of starting quickly because it is difficult for veterinarians to take X-ray images of animals at their timing. In order to develop a scheme for starting the X-ray tube quickly, it is necessary to analysis the X-ray tube. However, such an analysis has not been discussed until now. First, the states of an X-ray tube are classified into the temperature-limited state and the space-charge-limited state. Furthermore, existence of “mixed state” that comprises both is newly proposed in this paper. From these analyses, a novel scheme for quickly starting an X-ray generator is proposed; this scheme is considered with the characteristics of the X-ray tube. The proposed X-ray system that is capable of starting quickly is evaluated on the basis of experimental results.
NASA Astrophysics Data System (ADS)
Yang, Chou-Hsun; Hsu, Chao-Ping
2013-10-01
The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.
NASA Astrophysics Data System (ADS)
Lee, Sheng-Jui; Chen, Hung-Cheng; You, Zhi-Qiang; Liu, Kuan-Lin; Chow, Tahsin J.; Chen, I.-Chia; Hsu, Chao-Ping
2010-10-01
We calculate the electron transfer (ET) rates for a series of heptacyclo[6.6.0.02,6.03,13.014,11.05,9.010,14]-tetradecane (HCTD) linked donor-acceptor molecules. The electronic coupling factor was calculated by the fragment charge difference (FCD) [19] and the generalized Mulliken-Hush (GMH) schemes [20]. We found that the FCD is less prone to problems commonly seen in the GMH scheme, especially when the coupling values are small. For a 3-state case where the charge transfer (CT) state is coupled with two different locally excited (LE) states, we tested with the 3-state approach for the GMH scheme [30], and found that it works well with the FCD scheme. A simplified direct diagonalization based on Rust's 3-state scheme was also proposed and tested. This simplified scheme does not require a manual assignment of the states, and it yields coupling values that are largely similar to those from the full Rust's approach. The overall electron transfer (ET) coupling rates were also calculated.
An Efficient Scheduling Scheme on Charging Stations for Smart Transportation
NASA Astrophysics Data System (ADS)
Kim, Hye-Jin; Lee, Junghoon; Park, Gyung-Leen; Kang, Min-Jae; Kang, Mikyung
This paper proposes a reservation-based scheduling scheme for the charging station to decide the service order of multiple requests, aiming at improving the satisfiability of electric vehicles. The proposed scheme makes it possible for a customer to reduce the charge cost and waiting time, while a station can extend the number of clients it can serve. A linear rank function is defined based on estimated arrival time, waiting time bound, and the amount of needed power, reducing the scheduling complexity. Receiving the requests from the clients, the power station decides the charge order by the rank function and then replies to the requesters with the waiting time and cost it can guarantee. Each requester can decide whether to charge at that station or try another station. This scheduler can evolve to integrate a new pricing policy and services, enriching the electric vehicle transport system.
A Charge-Based Low-Power High-SNR Capacitive Sensing Interface Circuit
Peng, Sheng-Yu; Qureshi, Muhammad S.; Hasler, Paul E.; Basu, Arindam; Degertekin, F. L.
2008-01-01
This paper describes a low-power approach to capacitive sensing that achieves a high signal-to-noise ratio. The circuit is composed of a capacitive feedback charge amplifier and a charge adaptation circuit. Without the adaptation circuit, the charge amplifier only consumes 1 μW to achieve the audio band SNR of 69.34dB. An adaptation scheme using Fowler-Nordheim tunneling and channel hot electron injection mechanisms to stabilize the DC output voltage is demonstrated. This scheme provides a very low frequency pole at 0.2Hz. The measured noise spectrums show that this slow-time scale adaptation does not degrade the circuit performance. The DC path can also be provided by a large feedback resistance without causing extra power consumption. A charge amplifier with a MOS-bipolar pseudo-resistor feedback scheme is interfaced with a capacitive micromachined ultrasonic transducer to demonstrate the feasibility of this approach for ultrasound applications. PMID:18787650
NASA Technical Reports Server (NTRS)
Gwaltney, David A.; Briscoe, Jeri M.
2005-01-01
Integrated System Health Management (ISHM) architectures for spacecraft will include hard real-time, critical subsystems and soft real-time monitoring subsystems. Interaction between these subsystems will be necessary and an architecture supporting multiple criticality levels will be required. Demonstration hardware for the Integrated Safety-Critical Advanced Avionics Communication & Control (ISAACC) system has been developed at NASA Marshall Space Flight Center. It is a modular system using a commercially available time-triggered protocol, ?Tp/C, that supports hard real-time distributed control systems independent of the data transmission medium. The protocol is implemented in hardware and provides guaranteed low-latency messaging with inherent fault-tolerance and fault-containment. Interoperability between modules and systems of modules using the TTP/C is guaranteed through definition of messages and the precise message schedule implemented by the master-less Time Division Multiple Access (TDMA) communications protocol. "Plug-and-play" capability for sensors and actuators provides automatically configurable modules supporting sensor recalibration and control algorithm re-tuning without software modification. Modular components of controlled physical system(s) critical to control algorithm tuning, such as pumps or valve components in an engine, can be replaced or upgraded as "plug and play" components without modification to the ISAACC module hardware or software. ISAACC modules can communicate with other vehicle subsystems through time-triggered protocols or other communications protocols implemented over Ethernet, MIL-STD- 1553 and RS-485/422. Other communication bus physical layers and protocols can be included as required. In this way, the ISAACC modules can be part of a system-of-systems in a vehicle with multi-tier subsystems of varying criticality. The goal of the ISAACC architecture development is control and monitoring of safety critical systems of a manned spacecraft. These systems include spacecraft navigation and attitude control, propulsion, automated docking, vehicle health management and life support. ISAACC can integrate local critical subsystem health management with subsystems performing long term health monitoring. The ISAACC system and its relationship to ISHM will be presented.
Charge-Control Unit for Testing Lithium-Ion Cells
NASA Technical Reports Server (NTRS)
Reid, Concha M.; Mazo, Michelle A.; Button, Robert M.
2008-01-01
A charge-control unit was developed as part of a program to validate Li-ion cells packaged together in batteries for aerospace use. The lithium-ion cell charge-control unit will be useful to anyone who performs testing of battery cells for aerospace and non-aerospace uses and to anyone who manufacturers battery test equipment. This technology reduces the quantity of costly power supplies and independent channels that are needed for test programs in which multiple cells are tested. Battery test equipment manufacturers can integrate the technology into their battery test equipment as a method to manage charging of multiple cells in series. The unit manages a complex scheme that is required for charging Li-ion cells electrically connected in series. The unit makes it possible to evaluate cells together as a pack using a single primary test channel, while also making it possible to charge each cell individually. Hence, inherent cell-to-cell variations in a series string of cells can be addressed, and yet the cost of testing is reduced substantially below the cost of testing each cell as a separate entity. The unit consists of electronic circuits and thermal-management devices housed in a common package. It also includes isolated annunciators to signal when the cells are being actively bypassed. These annunciators can be used by external charge managers or can be connected in series to signal that all cells have reached maximum charge. The charge-control circuitry for each cell amounts to regulator circuitry and is powered by that cell, eliminating the need for an external power source or controller. A 110-VAC source of electricity is required to power the thermal-management portion of the unit. A small direct-current source can be used to supply power for an annunciator signal, if desired.
Dong, Zhekang; Duan, Shukai; Hu, Xiaofang; Wang, Lidan; Li, Hai
2014-01-01
In this paper, we present an implementation scheme of memristor-based multilayer feedforward small-world neural network (MFSNN) inspirited by the lack of the hardware realization of the MFSNN on account of the need of a large number of electronic neurons and synapses. More specially, a mathematical closed-form charge-governed memristor model is presented with derivation procedures and the corresponding Simulink model is presented, which is an essential block for realizing the memristive synapse and the activation function in electronic neurons. Furthermore, we investigate a more intelligent memristive PID controller by incorporating the proposed MFSNN into intelligent PID control based on the advantages of the memristive MFSNN on computation speed and accuracy. Finally, numerical simulations have demonstrated the effectiveness of the proposed scheme.
Dong, Zhekang; Duan, Shukai; Hu, Xiaofang; Wang, Lidan
2014-01-01
In this paper, we present an implementation scheme of memristor-based multilayer feedforward small-world neural network (MFSNN) inspirited by the lack of the hardware realization of the MFSNN on account of the need of a large number of electronic neurons and synapses. More specially, a mathematical closed-form charge-governed memristor model is presented with derivation procedures and the corresponding Simulink model is presented, which is an essential block for realizing the memristive synapse and the activation function in electronic neurons. Furthermore, we investigate a more intelligent memristive PID controller by incorporating the proposed MFSNN into intelligent PID control based on the advantages of the memristive MFSNN on computation speed and accuracy. Finally, numerical simulations have demonstrated the effectiveness of the proposed scheme. PMID:25202723
NASA Astrophysics Data System (ADS)
Li, W. W.; Du, Z. Z.; Yuan, R. m.; Xiong, D. Z.; Shi, E. W.; Lu, G. N.; Dai, Z. Y.; Chen, X. Q.; Jiang, Z. Y.; Lv, Y. G.
2017-10-01
Smart meter represents the development direction of energy-saving smart grid in the future. The load switch, one of the core parts of smart meter, should be of high reliability, safety and endurance capability of limit short-circuit current. For this reason, this paper discusses the quick simulation of relationship between attraction and counterforce of load switch without iteration, establishes dual response surface model of attraction and counterforce and optimizes the design scheme of load switch for charge control smart meter, thus increasing electromagnetic attraction and spring counterforce. In this way, this paper puts forward a method to improve the withstand capacity of limit short-circuit current.
Ishizuka, Ryosuke; Matubayasi, Nobuyuki
2017-11-15
A self-consistent scheme combining the molecular dynamics (MD) simulation and density functional theory (DFT) was recently proposed to incorporate the effects of the charge transfer and polarization of ions into non-poralizable force fields of ionic liquids for improved description of energetics and dynamics. The purpose of the present work is to analyze the detailed setups of the MD/DFT scheme by focusing on how the basis set, exchange-correlation (XC) functional, charge-fitting method or force field for the intramolecular and Lennard-Jones interactions affects the MD/DFT results of 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ( [C1mim][NTf2]) and 1-ethyl-3-methylimidazolium glycinate ( [C2mim][Gly]). It was found that the double-zeta valence polarized or larger size of basis set is required for the convergence of the effective charge of the ion. The choice of the XC functional was further not influential as far as the generalized gradient approximation is used. The charge-fitting method and force field govern the accuracy of the MD/DFT scheme, on the other hand. We examined the charge-fitting methods of Blöchl, the iterative Hirshfeld (Hirshfeld-I), and REPEAT in combination with Lopes et al.'s force field and general AMBER force field. There is no single combination of charge fitting and force field that provides good agreements with the experiments, while the MD/DFT scheme reduces the effective charges of the ions and leads to better description of energetics and dynamics compared to the original force field with unit charges. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Hsu, Wen-Yang; Schmid, Alexandre
2017-08-01
Safety and energy efficiency are two major concerns for implantable neural stimulators. This paper presents a novel high-frequency, switched capacitor (HFSC) stimulation and active charge balancing scheme, which achieves high energy efficiency and well-controlled stimulation charge in the presence of large electrode impedance variations. Furthermore, the HFSC can be implemented in a compact size without any external component to simultaneously enable multichannel stimulation by deploying multiple stimulators. The theoretical analysis shows significant benefits over the constant-current and voltage-mode stimulation methods. The proposed solution was fabricated using a 0.18 μm high-voltage technology, and occupies only 0.035 mm 2 for a single stimulator. The measurement result shows 50% peak energy efficiency and confirms the effectiveness of active charge balancing to prevent the electrode dissolution.
Variationally consistent approximation scheme for charge transfer
NASA Technical Reports Server (NTRS)
Halpern, A. M.
1978-01-01
The author has developed a technique for testing various charge-transfer approximation schemes for consistency with the requirements of the Kohn variational principle for the amplitude to guarantee that the amplitude is correct to second order in the scattering wave functions. Applied to Born-type approximations for charge transfer it allows the selection of particular groups of first-, second-, and higher-Born-type terms that obey the consistency requirement, and hence yield more reliable approximation to the amplitude.
A Numerical Scheme for the Solution of the Space Charge Problem on a Multiply Connected Region
NASA Astrophysics Data System (ADS)
Budd, C. J.; Wheeler, A. A.
1991-11-01
In this paper we extend the work of Budd and Wheeler ( Proc. R. Soc. London A, 417, 389, 1988) , who described a new numerical scheme for the solution of the space charge equation on a simple connected domain, to multiply connected regions. The space charge equation, ▿ · ( Δ overlineϕ ▽ overlineϕ) = 0 , is a third-order nonlinear partial differential equation for the electric potential overlineϕ which models the electric field in the vicinity of a coronating conductor. Budd and Wheeler described a new way of analysing this equation by constructing an orthogonal coordinate system ( overlineϕ, overlineψ) and recasting the equation in terms of x, y, and ▽ overlineϕ as functions of ( overlineϕ, overlineψ). This transformation is singular on multiply connected regions and in this paper we show how this may be overcome to provide an efficient numerical scheme for the solution of the space charge equation. This scheme also provides a new method for the solution of Laplaces equation and the calculation of orthogonal meshes on multiply connected regions.
Jibat, Tariku; Hogeveen, Henk; Mourits, Monique C M
2015-02-01
Rabies still poses a significant human health problem throughout most of Africa, where the majority of the human cases results from dog bites. Mass dog vaccination is considered to be the most effective method to prevent rabies in humans. Our objective was to systematically review research articles on dog rabies parenteral vaccination coverage in Africa in relation to dog accessibility and vaccination cost recovery arrangement (i.e.free of charge or owner charged). A systematic literature search was made in the databases of CAB abstracts (EBSCOhost and OvidSP), Scopus, Web of Science, PubMed, Medline (EBSCOhost and OvidSP) and AJOL (African Journal Online) for peer reviewed articles on 1) rabies control, 2) dog rabies vaccination coverage and 3) dog demography in Africa. Identified articles were subsequently screened and selected using predefined selection criteria like year of publication (viz. ≥ 1990), type of study (cross sectional), objective(s) of the study (i.e. vaccination coverage rates, dog demographics and financial arrangements of vaccination costs), language of publication (English) and geographical focus (Africa). The selection process resulted in sixteen peer reviewed articles which were used to review dog demography and dog ownership status, and dog rabies vaccination coverage throughout Africa. The main review findings indicate that 1) the majority (up to 98.1%) of dogs in African countries are owned (and as such accessible), 2) puppies younger than 3 months of age constitute a considerable proportion (up to 30%) of the dog population and 3) male dogs are dominating in numbers (up to 3.6 times the female dog population). Dog rabies parenteral vaccination coverage was compared between "free of charge" and "owner charged" vaccination schemes by the technique of Meta-analysis. Results indicate that the rabies vaccination coverage following a free of charge vaccination scheme (68%) is closer to the World Health Organization recommended coverage rate (70%) than the achieved coverage rate in owner-charged dog rabies vaccination schemes (18%). Most dogs in Africa are owned and accessible for parenteral vaccination against rabies if the campaign is performed "free of charge".
Combatting Pilot Attrition in the USAF in the 1990s
1990-05-01
Air Weaoons Control Officer, would oe a Watch Officer on an Air Base Operations staff. The last c’ass oz oosition is designated as an ANY position...which the 1OC belonqs. a oortion of the ANf positions designated by manning formulas devised by the Directorate in charge of Production Control and...also controls pDroouction and promotion quotas. it is the "sine ous non ’ for the Career Managers. Their management scheme is driven o’, the mismatch
Minimization of power consumption during charging of superconducting accelerating cavities
NASA Astrophysics Data System (ADS)
Bhattacharyya, Anirban Krishna; Ziemann, Volker; Ruber, Roger; Goryashko, Vitaliy
2015-11-01
The radio frequency cavities, used to accelerate charged particle beams, need to be charged to their nominal voltage after which the beam can be injected into them. The standard procedure for such cavity filling is to use a step charging profile. However, during initial stages of such a filling process a substantial amount of the total energy is wasted in reflection for superconducting cavities because of their extremely narrow bandwidth. The paper presents a novel strategy to charge cavities, which reduces total energy reflection. We use variational calculus to obtain analytical expression for the optimal charging profile. Energies, reflected and required, and generator peak power are also compared between the charging schemes and practical aspects (saturation, efficiency and gain characteristics) of power sources (tetrodes, IOTs and solid state power amplifiers) are also considered and analysed. The paper presents a methodology to successfully identify the optimal charging scheme for different power sources to minimize total energy requirement.
Li, Houfen; Yu, Hongtao; Quan, Xie; Chen, Shuo; Zhang, Yaobin
2016-01-27
Z-scheme photocatalytic system shows superiority in degradation of refractory pollutants and water splitting due to the high redox capacities caused by its unique charge transfer behaviors. As a key component of Z-scheme system, the electron mediator plays an important role in charge carrier migration. According to the energy band theory, we believe the interfacial energy band bendings facilitate the electron transfer via Z-scheme mechanism when the Fermi level of electron mediator is between the Fermi levels of Photosystem II (PS II) and Photosystem I (PS I), whereas charge transfer is inhibited in other cases as energy band barriers would form at the semiconductor-metal interfaces. Here, this inference was verified by the increased hydroxyl radical generation and improved photocurrent on WO3-Cu-gC3N4 (with the desired Fermi level structure), which were not observed on either WO3-Ag-gC3N4 or WO3-Au-gC3N4. Finally, photocatalytic degradation rate of 4-nonylphenol on WO3-Cu-gC3N4 was proved to be as high as 11.6 times than that of WO3-gC3N4, further demonstrating the necessity of a suitable electron mediator in Z-scheme system. This study provides scientific basis for rational construction of Z-scheme photocatalytic system.
Design and Verification of a Digital Controller for a 2-Piece Hemispherical Resonator Gyroscope.
Lee, Jungshin; Yun, Sung Wook; Rhim, Jaewook
2016-04-20
A Hemispherical Resonator Gyro (HRG) is the Coriolis Vibratory Gyro (CVG) that measures rotation angle or angular velocity using Coriolis force acting the vibrating mass. A HRG can be used as a rate gyro or integrating gyro without structural modification by simply changing the control scheme. In this paper, differential control algorithms are designed for a 2-piece HRG. To design a precision controller, the electromechanical modelling and signal processing must be pre-performed accurately. Therefore, the equations of motion for the HRG resonator with switched harmonic excitations are derived with the Duhamel Integral method. Electromechanical modeling of the resonator, electric module and charge amplifier is performed by considering the mode shape of a thin hemispherical shell. Further, signal processing and control algorithms are designed. The multi-flexing scheme of sensing, driving cycles and x, y-axis switching cycles is appropriate for high precision and low maneuverability systems. The differential control scheme is easily capable of rejecting the common mode errors of x, y-axis signals and changing the rate integrating mode on basis of these studies. In the rate gyro mode the controller is composed of Phase-Locked Loop (PLL), amplitude, quadrature and rate control loop. All controllers are designed on basis of a digital PI controller. The signal processing and control algorithms are verified through Matlab/Simulink simulations. Finally, a FPGA and DSP board with these algorithms is verified through experiments.
Federal Register 2010, 2011, 2012, 2013, 2014
2013-10-30
...: Land Allocation National Restructuring Program Regional Incentive Scheme: Reduced Corporate Tax Rates Regional Incentive Scheme: Social Security Premium Contribution for Employees Regional Incentive Scheme: Allocation of State Land Regional Incentive Scheme: Interest Support OIZ: Waste Water Charges OIZ: Exemptions...
Mei, Ye; Simmonett, Andrew C.; Pickard, Frank C.; DiStasio, Robert A.; Brooks, Bernard R.; Shao, Yihan
2015-01-01
In order to carry out a detailed analysis of the molecular static polarizability, which is the response of the molecule to a uniform external electric field, the molecular polarizability was computed using the finite-difference method for 21 small molecules, using density functional theory. Within nine charge population schemes (Löwdin, Mulliken, Becke, Hirshfeld, CM5, Hirshfeld-I, NPA, CHELPG, MK-ESP) in common use, the charge fluctuation contribution is found to dominate the molecular polarizability, with its ratio ranging from 59.9% with the Hirshfeld or CM5 scheme to 96.2% with the Mulliken scheme. The Hirshfeld-I scheme is also used to compute the other contribution to the molecular polarizability coming from the induced atomic dipoles, and the atomic polarizabilities in 8 small molecules and water pentamer are found to be highly anisotropic for most atoms. Overall, the results suggest that (a) more emphasis probably should be placed on the charge fluctuation terms in future polarizable force field development; (b) an anisotropic polarizability might be more suitable than an isotropic one in polarizable force fields based entirely or partially on the induced atomic dipoles. PMID:25945749
Mei, Ye; Simmonett, Andrew C.; Pickard, IV, Frank C.; ...
2015-05-06
In order to carry out a detailed analysis of the molecular static polarizability, which is the response of the molecule to a uniform external electric field, the molecular polarizability was computed in this study using the finite-difference method for 21 small molecules, using density functional theory. Within nine charge population schemes (Lowdin, Mulliken, Becke, Hirshfeld, CM5, Hirshfeld-I, NPA, CHELPG, MK-ESP) in common use, the charge fluctuation contribution is found to dominate the molecular polarizability, with its ratio ranging from 59.9% with the Hirshfeld or CM5 scheme to 96.2% with the Mulliken scheme. The Hirshfeld-I scheme is also used to computemore » the other contribution to the molecular polarizability coming from the induced atomic dipoles, and the atomic polarizabilities in eight small molecules and water pentamer are found to be highly anisotropic for most atoms. In conclusion, the overall results suggest that (a) more emphasis probably should be placed on the charge fluctuation terms in future polarizable force field development and (b) an anisotropic polarizability might be more suitable than an isotropic one in polarizable force fields based entirely or partially on the induced atomic dipoles.« less
Assessment and Control of Spacecraft Charging Risks on the International Space Station
NASA Technical Reports Server (NTRS)
Koontz, Steve; Edeen, Marybeth; Spetch, William; Dalton, Penni; Keening, Thomas
2003-01-01
Electrical interactions between the F2 region ionospheric plasma and the 160V photovoltaic (PV) electrical power system on the International Space Station (ISS) can produce floating potentials (FP) on the ISS conducting structure of greater magnitude than are usually observed on spacecraft in low-Earth orbit. Flight through the geomagnetic field also causes magnetic induction charging of ISS conducting structure. Charging processes resulting from interaction of ISS with auroral electrons may also contribute to charging albeit rarely. The magnitude and frequency of occurrence of possibly hazardous charging events depends on the ISS assembly stage (six more 160V PV arrays will be added to ISS), ISS flight configuration, ISS position (latitude and longitude), and the natural variability in the ionospheric flight environment. At present, ISS is equipped with two plasma contactors designed to control ISS FP to within 40 volts of the ambient F2 plasma. The negative-polarity grounding scheme utilized in the ISS 160V power system leads, naturally, to negative values of ISS FP. A negative ISS structural FP leads to application of electrostatic fields across the dielectrics that separate conducting structure from the ambient F2 plasma, thereby enabling dielectric breakdown and arcing. Degradation of some thermal control coatings and noise in electrical systems can result. Continued review and evaluation of the putative charging hazards, as required by the ISS Program Office, revealed that ISS charging could produce a risk of electric shock to the ISS crew during extra vehicular activity. ISS charging risks are being evaluated in ongoing ISS charging measurements and analysis campaigns. The results of ISS charging measurements are combined with a recently developed detailed model of the ISS charging process and an extensive analysis of historical ionospheric variability data, to assess ISS charging risks using Probabilistic Risk Assessment (PRA) methods. The PRA analysis (estimated frequency of occurrence and severity of the charging hazards) are then used to select the hazard control strategy that provides the best overall safety and mission success environment for ISS and the ISS crew. This paper presents: 1) a summary of ISS spacecraft charging analysis, measurements, observations made to date, 2) plans for future ISS spacecraft charging measurement campaigns, and 3) a detailed discussion of the PRA strategy used to assess ISS spacecraft charging risks and select charging hazard control strategies
Assessment and Control of International Space Station Spacecraft Charging Risks
NASA Astrophysics Data System (ADS)
Koontz, S.; Edeen, M.; Spetch, W.; Dalton, P.; Keeping, T.; Minow, J.
2003-12-01
Electrical interactions between the F2 region ionospheric plasma and the 160V photovoltaic (PV) electrical power system on the International Space Station (ISS) can produce floating potentials (FP) on ISS conducting structure of greater magnitude than are usually observed on spacecraft in low-Earth orbit. Flight through the geomagnetic field also causes magnetic induction charging of ISS conducting structure. Charging processes resulting from interaction of ISS with auroral electrons may also contribute to charging, albeit rarely. The magnitude and frequency of occurrence of possibly hazardous charging events depends on the ISS assembly stage (six more 160V PV arrays will be added to ISS), ISS flight configuration, ISS position (latitude and longitude), and the natural variability in the ionospheric flight environment. At present, ISS is equipped with two plasma contactors designed to control ISS FP to within 40 volts of the ambient F2 plasma. The negative-polarity grounding scheme utilized in the ISS 160V power system leads, naturally, to negative values of ISS FP. A negative ISS structural FP leads to application of electrostatic fields across the dielectrics that separate conducting structure from the ambient F2 plasma, thereby enabling dielectric breakdown and arcing. Degradation of some thermal control coatings and noise in electrical systems can result. Continued review and evaluation of the putative charging hazards, as required by the ISS Program Office, revealed that ISS charging could produce a risk of electric shock to the ISS crew during extra vehicular activity. ISS charging risks are being evaluated in ongoing ISS charging measurements and analysis campaigns. The results of ISS charging measurements are combined with a recently developed detailed model of the ISS charging process and an extensive analysis of historical ionospheric variability data, to assess ISS charging risks using Probabilistic Risk Assessment (PRA) methods. The PRA analysis (estimated frequency of occurrence and severity of the charging hazards) are then used to select the hazard control strategy that provides the best overall safety and mission success environment for ISS and the ISS crew. This paper presents: 1) a summary of ISS spacecraft charging analysis, measurements, observations made to date, 2) plans for future ISS spacecraft charging measurement campaigns, and 3) a detailed discussion of the PRA strategy used to assess ISS spacecraft charging risks and select charging hazard control strategies.
Kinetics of exciplex formation/dissipation in reaction following Weller Scheme II
NASA Astrophysics Data System (ADS)
Fedorenko, S. G.; Burshtein, A. I.
2014-09-01
Creation of exciplexes from the charged products of photoionization is considered by means of Integral Encounter Theory. The general kinetic equations of such a reaction following the Weller scheme II are developed. The special attention is given to the particular case of irreversible remote ionization of primary excited electron donor. Kinetics of exciplex formation is considered at fast biexponential geminate transformation of exciplexes in cage that gives way to subsequent bulk reaction of equilibrated reaction products controlled by power law recombination of ions. It is shown that the initial geminate stage of exciplex kinetics is observed only in diffusion controlled regime of the reaction and disappears with increasing mobility of ions in passing to kinetic regime. The quantum yield of exciplexes is studied along with their kinetics.
Kinetics of exciplex formation/dissipation in reaction following Weller Scheme II.
Fedorenko, S G; Burshtein, A I
2014-09-21
Creation of exciplexes from the charged products of photoionization is considered by means of Integral Encounter Theory. The general kinetic equations of such a reaction following the Weller scheme II are developed. The special attention is given to the particular case of irreversible remote ionization of primary excited electron donor. Kinetics of exciplex formation is considered at fast biexponential geminate transformation of exciplexes in cage that gives way to subsequent bulk reaction of equilibrated reaction products controlled by power law recombination of ions. It is shown that the initial geminate stage of exciplex kinetics is observed only in diffusion controlled regime of the reaction and disappears with increasing mobility of ions in passing to kinetic regime. The quantum yield of exciplexes is studied along with their kinetics.
Universal non-adiabatic geometric manipulation of pseudo-spin charge qubits
NASA Astrophysics Data System (ADS)
Azimi Mousolou, Vahid
2017-01-01
Reliable quantum information processing requires high-fidelity universal manipulation of quantum systems within the characteristic coherence times. Non-adiabatic holonomic quantum computation offers a promising approach to implement fast, universal, and robust quantum logic gates particularly useful in nano-fabricated solid-state architectures, which typically have short coherence times. Here, we propose an experimentally feasible scheme to realize high-speed universal geometric quantum gates in nano-engineered pseudo-spin charge qubits. We use a system of three coupled quantum dots containing a single electron, where two computational states of a double quantum dot charge qubit interact through an intermediate quantum dot. The additional degree of freedom introduced into the qubit makes it possible to create a geometric model system, which allows robust and efficient single-qubit rotations through careful control of the inter-dot tunneling parameters. We demonstrate that a capacitive coupling between two charge qubits permits a family of non-adiabatic holonomic controlled two-qubit entangling gates, and thus provides a promising procedure to maintain entanglement in charge qubits and a pathway toward fault-tolerant universal quantum computation. We estimate the feasibility of the proposed structure by analyzing the gate fidelities to some extent.
Ono, Masayuki; Furth, Harold
1993-01-01
An electron injection scheme for controlling transport in a tokamak plasma. Electrons with predominantly perpendicular energy are injected into a ripple field region created by a group of localized poloidal field bending magnets. The trapped electrons then grad-B drift vertically toward the plasma interior until they are detrapped, charging the plasma negative. Calculations indicate that the highly perpendicular velocity electrons can remain stable against kinetic instabilities in the regime of interest for tokamak experiments. The penetration distance can be controlled by controlling the "ripple mirror ratio", the energy of the injected electrons, and their v.sub..perp. /v.sub.51 ratio. In this scheme, the poloidal torque due to the injected radial current is taken by the magnets and not by the plasma. Injection is accomplished by the flat cathode containing an ECH cavity to pump electrons to high v.sub..perp..
A group electronegativity equalization scheme including external potential effects.
Leyssens, Tom; Geerlings, Paul; Peeters, Daniel
2006-07-20
By calculating the electron affinity and ionization energy of different functional groups, CCSD electronegativity values are obtained, which implicitly account for the effect of the molecular environment. This latter is approximated using a chemically justified point charge model. On the basis of Sanderson's electronegativity equalization principle, this approach is shown to lead to reliable "group in molecule" electronegativities. Using a slight adjustment of the modeled environment and first-order principles, an electronegativity equalization scheme is obtained, which implicitly accounts for the major part of the external potential effect. This scheme can be applied in a predictive manner to estimate the charge transfer between two functional groups, without having to rely on cumbersome calibrations. A very satisfactory correlation is obtained between these charge transfers and those obtained from an ab initio calculation of the entire molecule.
Independent Manipulation of Topological Charges and Polarization Patterns of Optical Vortices
Yang, Ching-Han; Chen, Yuan-Di; Wu, Shing-Trong; Fuh, Andy Ying-Guey
2016-01-01
We present a simple and flexible method to generate various vectorial vortex beams (VVBs) with a Pancharatnam phase based on the scheme of double reflections from a single liquid crystal spatial light modulator (SLM). In this configuration, VVBs are constructed by the superposition of two orthogonally polarized orbital angular momentum (OAM) eigenstates. To verify the optical properties of the generated beams, Stokes polarimetry is developed to measure the states of polarization (SOP) over the transverse plane, while a Shack–Hartmann wavefront sensor is used to measure the OAM charge of beams. It is shown that both the simulated and the experimental results are in good qualitative agreement. In addition, polarization patterns and OAM charges of generated beams can be controlled independently using the proposed method. PMID:27526858
Stratified charge rotary engine critical technology enablement. Volume 2: Appendixes
NASA Technical Reports Server (NTRS)
Irion, C. E.; Mount, R. E.
1992-01-01
This second volume of appendixes is a companion to Volume 1 of this report which summarizes results of a critical technology enablement effort with the stratified charge rotary engine (SCRE) focusing on a power section of 0.67 liters (40 cu. in.) per rotor in single and two rotor versions. The work is a continuation of prior NASA Contracts NAS3-23056 and NAS3-24628. Technical objectives are multi-fuel capability, including civil and military jet fuel and DF-2, fuel efficiency of 0.355 Lbs/BHP-Hr. at best cruise condition above 50 percent power, altitude capability of up to 10Km (33,000 ft.) cruise, 2000 hour TBO and reduced coolant heat rejection. Critical technologies for SCRE's that have the potential for competitive performance and cost in a representative light-aircraft environment were examined. Objectives were: the development and utilization of advanced analytical tools, i.e. higher speed and enhanced three dimensional combustion modeling; identification of critical technologies; development of improved instrumentation; and to isolate and quantitatively identify the contribution to performance and efficiency of critical components or subsystems. A family of four-stage third-order explicit Runge-Kutta schemes is derived that required only two locations and has desirable stability characteristics. Error control is achieved by embedding a second-order scheme within the four-stage procedure. Certain schemes are identified that are as efficient and accurate as conventional embedded schemes of comparable order and require fewer storage locations.
Molecular implementation of molecular shift register memories
NASA Technical Reports Server (NTRS)
Beratan, David N. (Inventor); Onuchic, Jose N. (Inventor)
1991-01-01
An electronic shift register memory (20) at the molecular level is described. The memory elements are based on a chain of electron transfer molecules (22) and the information is shifted by photoinduced (26) electron transfer reactions. Thus, multi-step sequences of charge transfer reactions are used to move charge with high efficiency down a molecular chain. The device integrates compositions of the invention onto a VLSI substrate (36), providing an example of a molecular electronic device which may be fabricated. Three energy level schemes, molecular implementation of these schemes, optical excitation strategies, charge amplification strategies, and error correction strategies are described.
Measuring Orbital Angular Momentum (OAM) States of Vortex Beams with Annular Gratings
Zheng, Shuang; Wang, Jian
2017-01-01
Measuring orbital angular momentum (OAM) states of vortex beams is of great importance in diverse applications employing OAM-carrying vortex beams. We present a simple and efficient scheme to measure OAM states (i.e. topological charge values) of vortex beams with annular gratings. The magnitude of the topological charge value is determined by the number of dark fringes after diffraction, and the sign of the topological charge value is distinguished by the orientation of the diffraction pattern. We first theoretically study the diffraction patterns using both annular amplitude and phase gratings. The annular phase grating shows almost 10-dB better diffraction efficiency compared to the annular amplitude grating. We then experimentally demonstrate the OAM states measurement of vortex beams using annular phase grating. The scheme works well even for high-order vortex beams with topological charge value as high as ± 25. We also experimentally show the evolution of diffraction patterns when slightly changing the fractional topological charge value of vortex beam from 0.1 to 1.0. In addition, the proposed scheme shows potential large tolerance of beam alignment during the OAM states measurement of vortex beams. PMID:28094325
Measuring Orbital Angular Momentum (OAM) States of Vortex Beams with Annular Gratings.
Zheng, Shuang; Wang, Jian
2017-01-17
Measuring orbital angular momentum (OAM) states of vortex beams is of great importance in diverse applications employing OAM-carrying vortex beams. We present a simple and efficient scheme to measure OAM states (i.e. topological charge values) of vortex beams with annular gratings. The magnitude of the topological charge value is determined by the number of dark fringes after diffraction, and the sign of the topological charge value is distinguished by the orientation of the diffraction pattern. We first theoretically study the diffraction patterns using both annular amplitude and phase gratings. The annular phase grating shows almost 10-dB better diffraction efficiency compared to the annular amplitude grating. We then experimentally demonstrate the OAM states measurement of vortex beams using annular phase grating. The scheme works well even for high-order vortex beams with topological charge value as high as ± 25. We also experimentally show the evolution of diffraction patterns when slightly changing the fractional topological charge value of vortex beam from 0.1 to 1.0. In addition, the proposed scheme shows potential large tolerance of beam alignment during the OAM states measurement of vortex beams.
NASA Astrophysics Data System (ADS)
Wang, Botao; Ünal, F. Nur; Eckardt, André
2018-06-01
The insertion of a local magnetic flux, as the one created by a thin solenoid, plays an important role in gedanken experiments of quantum Hall physics. By combining Floquet engineering of artificial magnetic fields with the ability of single-site addressing in quantum gas microscopes, we propose a scheme for the realization of such local solenoid-type magnetic fields in optical lattices. We show that it can be employed to manipulate and probe elementary excitations of a topological Chern insulator. This includes quantized adiabatic charge pumping along tailored paths inside the bulk, as well as the controlled population of edge modes.
Special purpose modes in photonic band gap fibers
Spencer, James; Noble, Robert; Campbell, Sara
2013-04-02
Photonic band gap fibers are described having one or more defects suitable for the acceleration of electrons or other charged particles. Methods and devices are described for exciting special purpose modes in the defects including laser coupling schemes as well as various fiber designs and components for facilitating excitation of desired modes. Results are also presented showing effects on modes due to modes in other defects within the fiber and due to the proximity of defects to the fiber edge. Techniques and devices are described for controlling electrons within the defect(s). Various applications for electrons or other energetic charged particles produced by such photonic band gap fibers are also described.
Design and Verification of a Digital Controller for a 2-Piece Hemispherical Resonator Gyroscope
Lee, Jungshin; Yun, Sung Wook; Rhim, Jaewook
2016-01-01
A Hemispherical Resonator Gyro (HRG) is the Coriolis Vibratory Gyro (CVG) that measures rotation angle or angular velocity using Coriolis force acting the vibrating mass. A HRG can be used as a rate gyro or integrating gyro without structural modification by simply changing the control scheme. In this paper, differential control algorithms are designed for a 2-piece HRG. To design a precision controller, the electromechanical modelling and signal processing must be pre-performed accurately. Therefore, the equations of motion for the HRG resonator with switched harmonic excitations are derived with the Duhamel Integral method. Electromechanical modeling of the resonator, electric module and charge amplifier is performed by considering the mode shape of a thin hemispherical shell. Further, signal processing and control algorithms are designed. The multi-flexing scheme of sensing, driving cycles and x, y-axis switching cycles is appropriate for high precision and low maneuverability systems. The differential control scheme is easily capable of rejecting the common mode errors of x, y-axis signals and changing the rate integrating mode on basis of these studies. In the rate gyro mode the controller is composed of Phase-Locked Loop (PLL), amplitude, quadrature and rate control loop. All controllers are designed on basis of a digital PI controller. The signal processing and control algorithms are verified through Matlab/Simulink simulations. Finally, a FPGA and DSP board with these algorithms is verified through experiments. PMID:27104539
Laser ion source activities at Brookhaven National Laboratory
Kanesue, Takeshi; Okamura, Masahiro
2015-07-31
In Brookhaven National Laboratory (BNL), we have been developing laser ion sources for diverse accelerators. Tabletop Nd:YAG lasers with up to several Joules of energy are mainly used to create ablation plasmas for stable operations. The obtained charge states depend on laser power density and target species. Two types of ion extraction schemes, Direct Plasma Injection Scheme (DPIS) and conventional static extraction, are used depending on application. We optimized and select a suitable laser irradiation condition and a beam extraction scheme to meet the requirement of the following accelerator system. We have demonstrated to accelerate more than 5 x 10more » 10 of C 6+ ions using the DPIS. We successfully commissioned low charge ion beam provider to the user facilities in BNL. As a result, to achieve higher current, higher charge state and lower emittance, further studies will continue.« less
A Nonmetal Plasmonic Z-Scheme Photocatalyst with UV- to NIR-Driven Photocatalytic Protons Reduction.
Zhang, Zhenyi; Huang, Jindou; Fang, Yurui; Zhang, Mingyi; Liu, Kuichao; Dong, Bin
2017-05-01
Ultrabroad-spectrum absorption and highly efficient generation of available charge carriers are two essential requirements for promising semiconductor-based photocatalysts, towards achieving the ultimate goal of solar-to-fuel conversion. Here, a fascinating nonmetal plasmonic Z-scheme photocatalyst with the W 18 O 49 /g-C 3 N 4 heterostructure is reported, which can effectively harvest photon energies spanning from the UV to the nearinfrared region and simultaneously possesses improved charge-carrier dynamics to boost the generation of long-lived active electrons for the photocatalytic reduction of protons into H 2 . By combining with theoretical simulations, a unique synergistic photocatalysis effect between the semiconductive Z-scheme charge-carrier separation and metal-like localized-surface-plasmon-resonance-induced "hot electrons" injection process is demonstrated within this binary heterostructure. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
NASA Astrophysics Data System (ADS)
Abbaspour, S.; Mohammad Moosavi Nejad, S.
2018-05-01
Charged Higgs bosons are predicted by some non-minimal Higgs scenarios, such as models containing Higgs triplets and two-Higgs-doublet models, so that the experimental observation of these bosons would indicate physics beyond the Standard Model. In the present work, we introduce a channel to indirect search for the charged Higgses through the hadronic decay of polarized top quarks where a top quark decays into a charged Higgs H+ and a bottom-flavored meson B via the hadronization process of the produced bottom quark, t (↑) →H+ + b (→ B + jet). To obtain the energy spectrum of produced B-mesons we present, for the first time, an analytical expression for the O (αs) corrections to the differential decay width of the process t →H+ b in presence of a massive b-quark in the General-Mass Variable-Flavor-Number (GM-VFN) scheme. We find that the most reliable predictions for the B-hadron energy spectrum are made in the GM-VFN scheme, specifically, when the Type-II 2HDM scenario is concerned.
Generation of large scale GHZ states with the interactions of photons and quantum-dot spins
NASA Astrophysics Data System (ADS)
Miao, Chun; Fang, Shu-Dong; Dong, Ping; Yang, Ming; Cao, Zhuo-Liang
2018-03-01
We present a deterministic scheme for generating large scale GHZ states in a cavity-quantum dot system. A singly charged quantum dot is embedded in a double-sided optical microcavity with partially reflective top and bottom mirrors. The GHZ-type Bell spin state can be created and two n-spin GHZ states can be perfectly fused to a 2n-spin GHZ state with the help of n ancilla single-photon pulses. The implementation of the current scheme only depends on the photon detection and its need not to operate multi-qubit gates and multi-qubit measurements. Discussions about the effect of the cavity loss, side leakage and exciton cavity coupling strength for the fidelity of generated states show that the fidelity can remain high enough by controlling system parameters. So the current scheme is simple and feasible in experiment.
NASA Astrophysics Data System (ADS)
Li, Fu-Hai; Chiu, Yung-Yueh; Lee, Yen-Hui; Chang, Ru-Wei; Yang, Bo-Jun; Sun, Wein-Town; Lee, Eric; Kuo, Chao-Wei; Shirota, Riichiro
2013-04-01
In this study, we precisely investigate the charge distribution in SiN layer by dynamic programming of channel hot hole induced hot electron injection (CHHIHE) in p-channel silicon-oxide-nitride-oxide-silicon (SONOS) memory device. In the dynamic programming scheme, gate voltage is increased as a staircase with fixed step amplitude, which can prohibits the injection of holes in SiN layer. Three-dimensional device simulation is calibrated and is compared with the measured programming characteristics. It is found, for the first time, that the hot electron injection point quickly traverses from drain to source side synchronizing to the expansion of charged area in SiN layer. As a result, the injected charges quickly spread over on the almost whole channel area uniformly during a short programming period, which will afford large tolerance against lateral trapped charge diffusion by baking.
NASA Astrophysics Data System (ADS)
He, Rongan; Zhou, Jiaqian; Fu, Huiqing; Zhang, Shiying; Jiang, Chuanjia
2018-02-01
Constructing direct Z-scheme heterojunction is an effective approach to separating photogenerated charge carriers and improving the activity of semiconductor photocatalysts. Herein, a composite of bismuth(III) oxide (Bi2O3) and graphitic carbon nitride (g-C3N4) was in situ fabricated at room temperature by photoreductive deposition of Bi3+ and subsequent air-oxidation of the resultant metallic Bi. Quantum-sized ω-Bi2O3 nanoparticles approximately 6 nm in diameter were uniformly distributed on the surface of mesoporous g-C3N4. The as-prepared Bi2O3/g-C3N4 composite exhibited higher photocatalytic activity than pure Bi2O3 and g-C3N4 for photocatalytic degradation of phenol under visible light. Reactive species trapping experiments revealed that superoxide radicals and photogenerated holes played important roles in the photocatalytic degradation of phenol. The enhanced photocatalytic activity, identification of reactive species and higher rate of charge carrier recombination (as indicated by stronger photoluminescence intensity) collectively suggest that the charge migration within the Bi2O3/g-C3N4 composite followed a Z-scheme mechanism. Photogenerated electrons on the conduction band of Bi2O3 migrate to the valence band of g-C3N4 and combine with photogenerated holes therein. At the cost of these less reactive charge carriers, the Z-scheme heterojunction enables efficient charge separation, while preserving the photogenerated electrons and holes with stronger redox abilities, which is beneficial for enhanced photocatalytic activity.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wu, Jinyuan
A digitization scheme of sub-microampere current using a commercial comparator with adjustable hysteresis and FPGA-based Wave Union TDC has been tested. The comparator plus a few passive components forms a current controlled oscillator and the input current is sent into the hysteresis control pin. The input current is converted into the transition times of the oscillations, which are digitized with a Wave Union TDC in FPGA and the variation of the transition times reflects the variation of the input current. Preliminary tests show that input charges < 25 fC can be measured at > 50 M samples/s without a preamplifier.
NASA Astrophysics Data System (ADS)
Kostarev, S. N.; Sereda, T. G.; Tatarnikova, N. A.; Kochetova, O. V.
2018-03-01
The electric drive for automation pumping out of filtration waters in the Second Solikamsk Potasssium Mine Group is developed. The emergency situation of flooding of the Mine has been considered in the course of development of the Upper Kama deposits of potash-magnesium salts. The functional scheme of automation of a drive of the pump is developed. The scheme is stipulated with manual and automatic control. To decrease the risk of flooding of mine, it is recommended to establish gauges of both bottom and top level control of a brine and other equipment in the collector of a brine: the gauge of measurementof a level, the gauge of the signal system of a level, the gauge of the pump control, the gauge of the signal system of a level with remote data transmission. For regulation of the charge of sewage, the P-regulator with the executive mechanism is stipulated. The ladder diagram of a pump control is developed to improve the work of centrifugal pumps and to prevent the cases of mines flooding.
Bunch evolution study in optimization of MeV ultrafast electron diffraction
NASA Astrophysics Data System (ADS)
Lu, Xian-Hai; Du, Ying-Chao; Huang, Wen-Hui; Tang, Chuan-Xiang
2014-12-01
Megaelectronvolt ultrafast electron diffraction (UED) is a promising detection tool for ultrafast processes. The quality of diffraction image is determined by the transverse evolution of the probe bunch. In this paper, we study the contributing terms of the emittance and space charge effects to the bunch evolution in the MeV UED scheme, employing a mean-field model with an ellipsoidal distribution as well as particle tracking simulation. The small transverse dimension of the drive laser is found to be critical to improve the reciprocal resolution, exploiting both smaller emittance and larger transverse bunch size before the solenoid. The degradation of the reciprocal spatial resolution caused by the space charge effects should be carefully controlled.
Ultrafast gating of a mid-infrared laser pulse by a sub-pC relativistic electron beam
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cesar, D. B.; Musumeci, P.; Alesini, D.
In this paper we discuss a relative time-of-arrival measurement scheme between an electron beam and a mid-infrared laser pulse based on the electron-beam controlled transmission in semiconductor materials. This technique can be used as a time-stamping diagnostic in ultrafast electron diffraction or microscopy. In particular, our characterization of Germanium demonstrates that sub-ps time-of-arrival sensitivity could be achieved in a single shot and with very low charge beams (<1 pC). Detailed measurements as a function of the beam charge and the laser wavelength offer insights on the free carrier dynamics in the semiconductor upon excitation by the electron beam.
Ishizuka, Ryosuke; Matubayasi, Nobuyuki
2016-02-09
A self-consistent scheme is developed to determine the atomic partial charges of ionic liquid. Molecular dynamics (MD) simulation was conducted to sample a set of ion configurations, and these configurations were subject to density functional theory (DFT) calculations to determine the partial charges. The charges were then averaged and used as inputs for the subsequent MD simulation, and MD and DFT calculations were repeated until the MD results are not altered any more. We applied this scheme to 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ([C1mim][NTf2]) and investigated its structure and dynamics as a function of temperature. At convergence, the average ionic charges were ±0.84 e at 350 K due to charge transfer among ions, where e is the elementary charge, while the reduced ionic charges do not affect strongly the density of [C1mim][NTf2] and radial distribution function. Instead, major effects are found on the energetics and dynamics, with improvements of the overestimated heat of vaporization and the too slow motions of ions observed in MD simulations using commonly used force fields.
A 50 AH nickel cadmium battery activation and charge retention parametric study for LANDSAT-D
NASA Technical Reports Server (NTRS)
Tasevoli, M.
1982-01-01
An alternate nickel-cadmium cell activation scheme was developed which significantly reduces battery dissipation while maintaining the cell active material in the proper electrochemical state. The new procedure of charging at C/20 for 8 hours, C/10 for 6 hours and followed by C/5 to a voltage limit of 1.430 volt/cell significantly reduces the heat dissipation and charge period when compared to the standard activation practice of charging at C/20 for 48 hours. In addition, subsequent discharge voltage profiles using the new scheme are higher when compared to the standard practice. The effects of extended open-circuit periods on nickel-cadmium cell results in a capacity loss of approximately 0.7 percent and 1.4 percent per day at 23 and 35 degrees Celsius, respectively.
Long-Ranged Oppositely Charged Interactions for Designing New Types of Colloidal Clusters
NASA Astrophysics Data System (ADS)
Demirörs, Ahmet Faik; Stiefelhagen, Johan C. P.; Vissers, Teun; Smallenburg, Frank; Dijkstra, Marjolein; Imhof, Arnout; van Blaaderen, Alfons
2015-04-01
Getting control over the valency of colloids is not trivial and has been a long-desired goal for the colloidal domain. Typically, tuning the preferred number of neighbors for colloidal particles requires directional bonding, as in the case of patchy particles, which is difficult to realize experimentally. Here, we demonstrate a general method for creating the colloidal analogs of molecules and other new regular colloidal clusters without using patchiness or complex bonding schemes (e.g., DNA coating) by using a combination of long-ranged attractive and repulsive interactions between oppositely charged particles that also enable regular clusters of particles not all in close contact. We show that, due to the interplay between their attractions and repulsions, oppositely charged particles dispersed in an intermediate dielectric constant (4 <ɛ <10 ) provide a viable approach for the formation of binary colloidal clusters. Tuning the size ratio and interactions of the particles enables control of the type and shape of the resulting regular colloidal clusters. Finally, we present an example of clusters made up of negatively charged large and positively charged small satellite particles, for which the electrostatic properties and interactions can be changed with an electric field. It appears that for sufficiently strong fields the satellite particles can move over the surface of the host particles and polarize the clusters. For even stronger fields, the satellite particles can be completely pulled off, reversing the net charge on the cluster. With computer simulations, we investigate how charged particles distribute on an oppositely charged sphere to minimize their energy and compare the results with the solutions to the well-known Thomson problem. We also use the simulations to explore the dependence of such clusters on Debye screening length κ-1 and the ratio of charges on the particles, showing good agreement with experimental observations.
Shaping of nested potentials for electron cooling of highly-charged ions in a cooler Penning trap
NASA Astrophysics Data System (ADS)
Paul, Stefan; Kootte, Brian; Lascar, Daniel; Gwinner, Gerald; Dilling, Jens; Titan Collaboration
2016-09-01
TRIUMF's Ion Trap for Atomic and Nuclear science (TITAN) is dedicated to mass spectrometry and decay spectroscopy of short-lived radioactive nuclides in a series of ion traps including a precision Penning trap. In order to boost the achievable precision of mass measurements TITAN deploys an Electron Beam Ion Trap (EBIT) providing Highly-Charged Ions (HCI). However, the charge breeding process in the EBIT leads to an increase in the ion bunch's energy spread which is detrimental to the overall precision gain. To reduce this effect a new cylindrical Cooler PEnning Trap (CPET) is being commissioned to sympathetically cool the HCI via a simultaneously trapped electron plasma. Simultaneous trapping of ions and electrons requires a high level of control over the nested potential landscape and sophisticated switching schemes for the voltages on CPET's multiple ring electrodes. For this purpose, we are currently setting up a new experimental control system for multi-channel voltage switching. The control system employs a Raspberry Pi communicating with a digital-to-analog board via a serial peripheral interface. We report on the implementation of the voltage control system and its performance with respect to electron and ion manipulation in CPET. University of British Columbia, Vancouver, BC, Canada.
A 3D image sensor with adaptable charge subtraction scheme for background light suppression
NASA Astrophysics Data System (ADS)
Shin, Jungsoon; Kang, Byongmin; Lee, Keechang; Kim, James D. K.
2013-02-01
We present a 3D ToF (Time-of-Flight) image sensor with adaptive charge subtraction scheme for background light suppression. The proposed sensor can alternately capture high resolution color image and high quality depth map in each frame. In depth-mode, the sensor requires enough integration time for accurate depth acquisition, but saturation will occur in high background light illumination. We propose to divide the integration time into N sub-integration times adaptively. In each sub-integration time, our sensor captures an image without saturation and subtracts the charge to prevent the pixel from the saturation. In addition, the subtraction results are cumulated N times obtaining a final result image without background illumination at full integration time. Experimental results with our own ToF sensor show high background suppression performance. We also propose in-pixel storage and column-level subtraction circuit for chiplevel implementation of the proposed method. We believe the proposed scheme will enable 3D sensors to be used in out-door environment.
Fast Proton Titration Scheme for Multiscale Modeling of Protein Solutions.
Teixeira, Andre Azevedo Reis; Lund, Mikael; da Silva, Fernando Luís Barroso
2010-10-12
Proton exchange between titratable amino acid residues and the surrounding solution gives rise to exciting electric processes in proteins. We present a proton titration scheme for studying acid-base equilibria in Metropolis Monte Carlo simulations where salt is treated at the Debye-Hückel level. The method, rooted in the Kirkwood model of impenetrable spheres, is applied on the three milk proteins α-lactalbumin, β-lactoglobulin, and lactoferrin, for which we investigate the net-charge, molecular dipole moment, and charge capacitance. Over a wide range of pH and salt conditions, excellent agreement is found with more elaborate simulations where salt is explicitly included. The implicit salt scheme is orders of magnitude faster than the explicit analog and allows for transparent interpretation of physical mechanisms. It is shown how the method can be expanded to multiscale modeling of aqueous salt solutions of many biomolecules with nonstatic charge distributions. Important examples are protein-protein aggregation, protein-polyelectrolyte complexation, and protein-membrane association.
Local Structure Evolution and Modes of Charge Storage in Secondary Li–FeS 2 Cells
DOE Office of Scientific and Technical Information (OSTI.GOV)
Butala, Megan M.; Mayo, Martin; Doan-Nguyen, Vicky V. T.
2017-03-27
In the pursuit of high-capacity electrochemical energy storage, a promising domain of research involves conversion reaction schemes, wherein electrode materials are fully transformed during charge and discharge. There are, however, numerous difficulties in realizing theoretical capacity and high rate capability in many conversion schemes. Here we employ operando studies to understand the conversion material FeS2, focusing on the local structure evolution of this relatively reversible material. X-ray absorption spectroscopy, pair distribution function analysis, and first-principles calculations of intermediate structures shed light on the mechanism of charge storage in the Li-FeS2 system, with some general principles emerging for charge storage inmore » chalcogenide materials. Focusing on second and later charge/discharge cycles, we find small, disordered domains that locally resemble Fe and Li2S at the end of the first discharge. Upon charge, this is converted to a Li-Fe-S composition whose local structure reveals tetrahedrally coordinated Fe. With continued charge, this ternary composition displays insertion extraction behavior at higher potentials and lower Li content. The finding of hybrid modes of charge storage, rather than simple conversion, points to the important role of intermediates that appear to store charge by mechanisms that more closely resemble intercalation.« less
Review and test of chilldown methods for space-based cryogenic tanks
NASA Astrophysics Data System (ADS)
Chato, David J.; Sanabria, Rafael
The literature for tank chilldown methods applicable to cryogenic tankage in the zero gravity environment of earth orbit is reviewed. One method is selected for demonstration in a ground based test. The method selected for investigation was the charge-hold-vent method which uses repeated injection of liquid slugs, followed by a hold to allow complete vaporization of the liquid and a vent of the tank to space vacuum to cool tankage to the desired temperature. The test was conducted on a 175 cubic foot, 2219 aluminum walled tank weighing 329 pounds, which was previously outfitted with spray systems to test nonvented fill technologies. To minimize hardware changes, a simple control-by-pressure scheme was implemented to control injected liquid quantities. The tank cooled from 440 R sufficiently in six charge-hold-vent cycles to allow a complete nonvented fill of the test tank. Liquid hydrogen consumed in the process is estimated at 32 pounds.
Review and test of chilldown methods for space-based cryogenic tanks
NASA Technical Reports Server (NTRS)
Chato, David J.; Sanabria, Rafael
1991-01-01
The literature for tank chilldown methods applicable to cryogenic tankage in the zero gravity environment of earth orbit is reviewed. One method is selected for demonstration in a ground based test. The method selected for investigation was the charge-hold-vent method which uses repeated injection of liquid slugs, followed by a hold to allow complete vaporization of the liquid and a vent of the tank to space vacuum to cool tankage to the desired temperature. The test was conducted on a 175 cubic foot, 2219 aluminum walled tank weighing 329 pounds, which was previously outfitted with spray systems to test nonvented fill technologies. To minimize hardware changes, a simple control-by-pressure scheme was implemented to control injected liquid quantities. The tank cooled from 440 R sufficiently in six charge-hold-vent cycles to allow a complete nonvented fill of the test tank. Liquid hydrogen consumed in the process is estimated at 32 pounds.
A linear triple quantum dot system in isolated configuration
NASA Astrophysics Data System (ADS)
Flentje, Hanno; Bertrand, Benoit; Mortemousque, Pierre-André; Thiney, Vivien; Ludwig, Arne; Wieck, Andreas D.; Bäuerle, Christopher; Meunier, Tristan
2017-06-01
The scaling up of electron spin qubit based nanocircuits has remained challenging up till date and involves the development of efficient charge control strategies. Here, we report on the experimental realization of a linear triple quantum dot in a regime isolated from the reservoir. We show how this regime can be reached with a fixed number of electrons. Charge stability diagrams of the one, two, and three electron configurations where only electron exchange between the dots is allowed are observed. They are modeled with the established theory based on a capacitive model of the dot systems. The advantages of the isolated regime with respect to experimental realizations of quantum simulators and qubits are discussed. We envision that the results presented here will make more manipulation schemes for existing qubit implementations possible and will ultimately allow to increase the number of tunnel coupled quantum dots which can be simultaneously controlled.
Strategies for Controlled Placement of Nanoscale Building Blocks
2007-01-01
The capability of placing individual nanoscale building blocks on exact substrate locations in a controlled manner is one of the key requirements to realize future electronic, optical, and magnetic devices and sensors that are composed of such blocks. This article reviews some important advances in the strategies for controlled placement of nanoscale building blocks. In particular, we will overview template assisted placement that utilizes physical, molecular, or electrostatic templates, DNA-programmed assembly, placement using dielectrophoresis, approaches for non-close-packed assembly of spherical particles, and recent development of focused placement schemes including electrostatic funneling, focused placement via molecular gradient patterns, electrodynamic focusing of charged aerosols, and others. PMID:21794185
Mumtaz, Sidra; Khan, Laiq; Ahmed, Saghir; Bader, Rabiah
2017-01-01
This paper focuses on the indirect adaptive tracking control of renewable energy sources in a grid-connected hybrid power system. The renewable energy systems have low efficiency and intermittent nature due to unpredictable meteorological conditions. The domestic load and the conventional charging stations behave in an uncertain manner. To operate the renewable energy sources efficiently for harvesting maximum power, instantaneous nonlinear dynamics should be captured online. A Chebyshev-wavelet embedded NeuroFuzzy indirect adaptive MPPT (maximum power point tracking) control paradigm is proposed for variable speed wind turbine-permanent synchronous generator (VSWT-PMSG). A Hermite-wavelet incorporated NeuroFuzzy indirect adaptive MPPT control strategy for photovoltaic (PV) system to extract maximum power and indirect adaptive tracking control scheme for Solid Oxide Fuel Cell (SOFC) is developed. A comprehensive simulation test-bed for a grid-connected hybrid power system is developed in Matlab/Simulink. The robustness of the suggested indirect adaptive control paradigms are evaluated through simulation results in a grid-connected hybrid power system test-bed by comparison with conventional and intelligent control techniques. The simulation results validate the effectiveness of the proposed control paradigms.
Khan, Laiq; Ahmed, Saghir; Bader, Rabiah
2017-01-01
This paper focuses on the indirect adaptive tracking control of renewable energy sources in a grid-connected hybrid power system. The renewable energy systems have low efficiency and intermittent nature due to unpredictable meteorological conditions. The domestic load and the conventional charging stations behave in an uncertain manner. To operate the renewable energy sources efficiently for harvesting maximum power, instantaneous nonlinear dynamics should be captured online. A Chebyshev-wavelet embedded NeuroFuzzy indirect adaptive MPPT (maximum power point tracking) control paradigm is proposed for variable speed wind turbine-permanent synchronous generator (VSWT-PMSG). A Hermite-wavelet incorporated NeuroFuzzy indirect adaptive MPPT control strategy for photovoltaic (PV) system to extract maximum power and indirect adaptive tracking control scheme for Solid Oxide Fuel Cell (SOFC) is developed. A comprehensive simulation test-bed for a grid-connected hybrid power system is developed in Matlab/Simulink. The robustness of the suggested indirect adaptive control paradigms are evaluated through simulation results in a grid-connected hybrid power system test-bed by comparison with conventional and intelligent control techniques. The simulation results validate the effectiveness of the proposed control paradigms. PMID:28877191
High-resolution photoluminescence electro-modulation microscopy by scanning lock-in
NASA Astrophysics Data System (ADS)
Koopman, W.; Muccini, M.; Toffanin, S.
2018-04-01
Morphological inhomogeneities and structural defects in organic semiconductors crucially determine the charge accumulation and lateral transport in organic thin-film transistors. Photoluminescence Electro-Modulation (PLEM) microscopy is a laser-scanning microscopy technique that relies on the modulation of the thin-film fluorescence in the presence of charge-carriers to image the spatial distribution of charges within the active organic semiconductor. Here, we present a lock-in scheme based on a scanning beam approach for increasing the PLEM microscopy resolution and contrast. The charge density in the device is modulated by a sinusoidal electrical signal, phase-locked to the scanning beam of the excitation laser. The lock-in detection scheme is achieved by acquiring a series of images with different phases between the beam scan and the electrical modulation. Application of high resolution PLEM to an organic transistor in accumulation mode demonstrates its potential to image local variations in the charge accumulation. A diffraction-limited precision of sub-300 nm and a signal to noise ratio of 21.4 dB could be achieved.
Acceleration of ions and neutrals by a traveling electrostatic wave
NASA Astrophysics Data System (ADS)
Lee, K. H.; Lee, L. C.; Wong, A. Y.
2018-02-01
We propose a new scheme for accelerating a weakly ionized gas by externally imposing a sinusoidal electrostatic (ES) potential in a tubular system. The weakly ionized gas consists of three fluid components: neutral hydrogen fluid ( H ), positively charged fluid ( H + ), and negatively charged fluids ( H - and/or e - ), as an example. The sinusoidal ES potential is imposed on a series of conductive meshes in the tubular system, and its phase varies with time and space to mimic a traveling ES wave. The charged fluids are trapped and accelerated by the sinusoidal ES potential, while the neutral fluid is accelerated through neutral-ion collisions. The neutral fluid can be accelerated to the wave phase velocity in a few neutral-ion collision times. The whole device remains charge-neutral, and there is no build-up of space charge. The acceleration scheme can be applied to, for example, the propulsion of glider in the air, partially ionized plasma in a chamber, spacecraft, and wind tunnel.
On the critical charge required for positive leader inception in long air gaps
NASA Astrophysics Data System (ADS)
Liu, Lipeng; Becerra, Marley
2018-01-01
The amount of the electric charge injected by the streamer corona bursts during the stage of leader inception determines the energy deposited to thermalize the corona stem into a leader segment. This paper is aimed at investigating the critical charge required for positive leader inception in air by using a thermo-hydrodynamic model with a detailed kinetic scheme. In order to simplify the analysis and to speed up the simulation, a reduced kinetic scheme for air is proposed. Numerical comparisons show that the reduced scheme can obtain almost the same results as the previous comprehensive kinetic scheme but with only half of the number of species and reactions. The thermo-hydrodynamic model with the reduced kinetics is then used to solve the radial dynamics of a single stem heated by current pulses typical of streamer corona bursts. The critical charge necessary for the direct transition of a first streamer corona into a leader under electrodes with large curvature radius is estimated between 0.08 and 0.5 µC per stem. Furthermore, the simulation shows that the gas heating of corona stem formed from electrodes with small curvature radius is mainly determined by the total accumulated charge injected by previous streamer corona bursts and the length of the dark periods in between the current pulses. The shape and the number of the corona current pulses in the discharge also play a role and their effects are discussed. It is suggested that the transition into a leader is triggered when a secondary streamer burst is initiated after the gas temperature is increased by the heating of previous streamers to about 1200 K. In addition, it is found that the heating produced by the charge injected by previous streamer corona bursts can be neglected if the dark period to the next burst is larger than few hundreds of µs for a corona stem with moderate initial stem radius. This indicates that the critical charge criterion obtained from laboratory experiments does not hold to evaluate the inception of positive leaders under conditions when long dark periods are present.
Wang, Ji-Chao; Yao, Hong-Chang; Fan, Ze-Yu; Zhang, Lin; Wang, Jian-She; Zang, Shuang-Quan; Li, Zhong-Jun
2016-02-17
Rational design and construction of Z-scheme photocatalysts has received much attention in the field of CO2 reduction because of its great potential to solve the current energy and environmental crises. In this study, a series of Z-scheme BiOI/g-C3N4 photocatalysts are synthesized and their photocatalytic performance for CO2 reduction to produce CO, H2 and/or CH4 is evaluated under visible light irradiation (λ > 400 nm). The results show that the as-synthesized composites exhibit more highly efficient photocatalytic activity than pure g-C3N4 and BiOI and that the product yields change remarkably depending on the reaction conditions such as irradiation light wavelength. Emphasis is placed on identifying how the charge transfers across the heterojunctions and an indirect Z-scheme charge transfer mechanism is verified by detecting the intermediate I3(-) ions. The reaction mechanism is further proposed based on the detection of the intermediate (•)OH and H2O2. This work may be useful for rationally designing of new types of Z-scheme photocatalyst and provide some illuminating insights into the Z-scheme transfer mechanism.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Giannessi, Luca; Quattromini, Marcello
1997-06-01
We describe the model for the simulation of charged beam dynamics in radiofrequency injectors used in the three dimensional code TREDI, where the inclusion of space charge fields is obtained by means of the Lienard-Wiechert retarded potentials. The problem of charge screening is analyzed in covariant form and some general recipes for charge assignment and noise reduction are given.
Castello, Federico Lucco; Delzanno, Gian Luca; Borovsky, Joseph E.; ...
2018-05-29
A spacecraft-charging mitigation scheme necessary for the operation of a high-power electron beam in the low-density magnetosphere is analyzed. The scheme is based on a plasma contactor, i.e. a high-density charge-neutral plasma emitted prior to and during beam emission, and its ability to emit high ion currents without strong space-charge limitations. A simple theoretical model for the transient of the spacecraft potential and contactor expansion during beam emission is presented. The model focuses on the contactor ion dynamics and is valid in the limit when the ion contactor current is equal to the beam current. The model is found inmore » very good agreement with Particle-In-Cell simulations over a large parametric study that varies the initial expansion time of the contactor, the contactor current and the ion mass. The model highlights the physics of the spacecraft-charging mitigation scheme, indicating that the most important part of the dynamics is the evolution of the outermost ion front which is pushed away by the charge accumulated in the system by the beam. The model can be also used to estimate the long-time evolution of the spacecraft potential. For a short contactor expansion (0.3 or 0.6 ms Helium plasma or 0.8 ms Argon plasma, both with 1 mA current) it yields a peak spacecraft potential of the order of 1-3 kV. This implies that a 1-mA relativistic electron beam would be easily emitted by the spacecraft.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Castello, Federico Lucco; Delzanno, Gian Luca; Borovsky, Joseph E.
A spacecraft-charging mitigation scheme necessary for the operation of a high-power electron beam in the low-density magnetosphere is analyzed. The scheme is based on a plasma contactor, i.e. a high-density charge-neutral plasma emitted prior to and during beam emission, and its ability to emit high ion currents without strong space-charge limitations. A simple theoretical model for the transient of the spacecraft potential and contactor expansion during beam emission is presented. The model focuses on the contactor ion dynamics and is valid in the limit when the ion contactor current is equal to the beam current. The model is found inmore » very good agreement with Particle-In-Cell simulations over a large parametric study that varies the initial expansion time of the contactor, the contactor current and the ion mass. The model highlights the physics of the spacecraft-charging mitigation scheme, indicating that the most important part of the dynamics is the evolution of the outermost ion front which is pushed away by the charge accumulated in the system by the beam. The model can be also used to estimate the long-time evolution of the spacecraft potential. For a short contactor expansion (0.3 or 0.6 ms Helium plasma or 0.8 ms Argon plasma, both with 1 mA current) it yields a peak spacecraft potential of the order of 1-3 kV. This implies that a 1-mA relativistic electron beam would be easily emitted by the spacecraft.« less
A fuzzy structural matching scheme for space robotics vision
NASA Technical Reports Server (NTRS)
Naka, Masao; Yamamoto, Hiromichi; Homma, Khozo; Iwata, Yoshitaka
1994-01-01
In this paper, we propose a new fuzzy structural matching scheme for space stereo vision which is based on the fuzzy properties of regions of images and effectively reduces the computational burden in the following low level matching process. Three dimensional distance images of a space truss structural model are estimated using this scheme from stereo images sensed by Charge Coupled Device (CCD) TV cameras.
Jibat, Tariku; Hogeveen, Henk; Mourits, Monique C. M.
2015-01-01
Background Rabies still poses a significant human health problem throughout most of Africa, where the majority of the human cases results from dog bites. Mass dog vaccination is considered to be the most effective method to prevent rabies in humans. Our objective was to systematically review research articles on dog rabies parenteral vaccination coverage in Africa in relation to dog accessibility and vaccination cost recovery arrangement (i.e.free of charge or owner charged). Methodology/Principal Findings A systematic literature search was made in the databases of CAB abstracts (EBSCOhost and OvidSP), Scopus, Web of Science, PubMed, Medline (EBSCOhost and OvidSP) and AJOL (African Journal Online) for peer reviewed articles on 1) rabies control, 2) dog rabies vaccination coverage and 3) dog demography in Africa. Identified articles were subsequently screened and selected using predefined selection criteria like year of publication (viz. ≥ 1990), type of study (cross sectional), objective(s) of the study (i.e. vaccination coverage rates, dog demographics and financial arrangements of vaccination costs), language of publication (English) and geographical focus (Africa). The selection process resulted in sixteen peer reviewed articles which were used to review dog demography and dog ownership status, and dog rabies vaccination coverage throughout Africa. The main review findings indicate that 1) the majority (up to 98.1%) of dogs in African countries are owned (and as such accessible), 2) puppies younger than 3 months of age constitute a considerable proportion (up to 30%) of the dog population and 3) male dogs are dominating in numbers (up to 3.6 times the female dog population). Dog rabies parenteral vaccination coverage was compared between “free of charge” and “owner charged” vaccination schemes by the technique of Meta-analysis. Results indicate that the rabies vaccination coverage following a free of charge vaccination scheme (68%) is closer to the World Health Organization recommended coverage rate (70%) than the achieved coverage rate in owner-charged dog rabies vaccination schemes (18%). Conclusions/Significance Most dogs in Africa are owned and accessible for parenteral vaccination against rabies if the campaign is performed “free of charge”. PMID:25646774
Development of highly accurate approximate scheme for computing the charge transfer integral
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pershin, Anton; Szalay, Péter G.
The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, itmore » was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.« less
NASA Astrophysics Data System (ADS)
Kanai, Yosuke
2009-03-01
Charge separation is a crucial process that must be understood in order to make substantial improvements in nano-materials based PV cells. In our work, first principles quantum mechanical calculations are employed to shed light on this process for some important nano-material heterojunctions. I will first present our work on the interfacial charge separation in Fullerene/P3HT and CNT/P3HT heterojunctions. Our findings indicate that in the fullerene system a two-step process is operative, involving an adiabatic electron transfer and an exciton dissociation via quasi-degenerate states localized on the fullerene. For the nanotubes, on the other hand, while such a two-step process is not necessary for efficient charge separation, the presence of metallic nanotubes lead to undesirable charge traps. Secondly, I will discuss how we are addressing the difficulty in employing standard DFT approaches for investigating inorganic-organic PV interfaces, which are composed of two distinct materials with very different electronic environments. I will discuss a QMC scheme for obtaining many-body corrections to the Kohn-Sham level alignments and its application to a CdSe/Oligothiophene hybrid PV interface, with the aim of tailoring its behavior by controlling the conjugation length.
Crystal field parameters and energy levels scheme of trivalent chromium doped BSO
NASA Astrophysics Data System (ADS)
Petkova, P.; Andreici, E.-L.; Avram, N. M.
2014-11-01
The aim of this paper is to give an analysis of crystal field parameters and energy levels schemes for the above doped material, in order to give a reliable explanation for experimental data. The crystal field parameters have been modeled in the frame of Exchange Charge Model (ECM) of the crystal field theory, taken into account the geometry of systems, with actually site symmetry of the impurity ions. The effect of the charges of the ligands and covalence bonding between chromium cation and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the crystal field parameters we simulated the scheme of energy levels of chromium ions by diagonalizing the matrix of the Hamiltonian of the doped crystal. The obtained energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison with experiment shows that the results are quite satisfactory which justify the model and simulation scheme used for the title system.
Crystal field parameters and energy levels scheme of trivalent chromium doped BSO
DOE Office of Scientific and Technical Information (OSTI.GOV)
Petkova, P.; Andreici, E.-L.; Avram, N. M., E-mail: n1m2marva@yahoo.com
The aim of this paper is to give an analysis of crystal field parameters and energy levels schemes for the above doped material, in order to give a reliable explanation for experimental data. The crystal field parameters have been modeled in the frame of Exchange Charge Model (ECM) of the crystal field theory, taken into account the geometry of systems, with actually site symmetry of the impurity ions. The effect of the charges of the ligands and covalence bonding between chromium cation and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of themore » crystal field parameters we simulated the scheme of energy levels of chromium ions by diagonalizing the matrix of the Hamiltonian of the doped crystal. The obtained energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison with experiment shows that the results are quite satisfactory which justify the model and simulation scheme used for the title system.« less
Novoderezhkin, Vladimir I.; Dekker, Jan P.; van Grondelle, Rienk
2007-01-01
We propose an exciton model for the Photosystem II reaction center (RC) based on a quantitative simultaneous fit of the absorption, linear dichroism, circular dichroism, steady-state fluorescence, triplet-minus-singlet, and Stark spectra together with the spectra of pheophytin-modified RCs, and so-called RC5 complexes that lack one of the peripheral chlorophylls. In this model, the excited state manifold includes a primary charge-transfer (CT) state that is supposed to be strongly mixed with the pure exciton states. We generalize the exciton theory of Stark spectra by 1), taking into account the coupling to a CT state (whose static dipole cannot be treated as a small parameter in contrast to usual excited states); and 2), expressing the line shape functions in terms of the modified Redfield approach (the same as used for modeling of the linear responses). This allows a consistent modeling of the whole set of experimental data using a unified physical picture. We show that the fluorescence and Stark spectra are extremely sensitive to the assignment of the primary CT state, its energy, and coupling to the excited states. The best fit of the data is obtained supposing that the initial charge separation occurs within the special-pair PD1PD2. Additionally, the scheme with primary electron transfer from the accessory chlorophyll to pheophytin gave a reasonable quantitative fit. We show that the effectiveness of these two pathways is strongly dependent on the realization of the energetic disorder. Supposing a mixed scheme of primary charge separation with a disorder-controlled competition of the two channels, we can explain the coexistence of fast sub-ps and slow ps components of the Phe-anion formation as revealed by different ultrafast spectroscopic techniques. PMID:17526589
NASA Astrophysics Data System (ADS)
Tang, Tao; Cai, Huaxiang; Huang, Yongmei; Ren, Ge
2015-10-01
A feedforward control based on data fusion is proposed to enhance closed-loop performance. The target trajectory as the observed value of a Kalman filter is recovered by synthesizing line-of-sight error and angular position from the encoder. A Kalman filter based on a Singer acceleration model is employed to estimate the target velocity. In this control scheme, the control stability is influenced by the bandwidth of the Kalman filter and time misalignment. The transfer function of the Kalman filter in the frequency domain is built for analyzing the closed loop stability, which shows that the Kalman filter is the major factor that affects the control stability. The feedforward control proposed here is verified through simulations and experiments.
NASA Astrophysics Data System (ADS)
Chen, G.; Chacón, L.
2013-08-01
We propose a 1D analytical particle mover for the recent charge- and energy-conserving electrostatic particle-in-cell (PIC) algorithm in Ref. [G. Chen, L. Chacón, D.C. Barnes, An energy- and charge-conserving, implicit, electrostatic particle-in-cell algorithm, Journal of Computational Physics 230 (2011) 7018-7036]. The approach computes particle orbits exactly for a given piece-wise linear electric field. The resulting PIC algorithm maintains the exact charge and energy conservation properties of the original algorithm, but with improved performance (both in efficiency and robustness against the number of particles and timestep). We demonstrate the advantageous properties of the scheme with a challenging multiscale numerical test case, the ion acoustic wave. Using the analytical mover as a reference, we demonstrate that the choice of error estimator in the Crank-Nicolson mover has significant impact on the overall performance of the implicit PIC algorithm. The generalization of the approach to the multi-dimensional case is outlined, based on a novel and simple charge conserving interpolation scheme.
NASA Astrophysics Data System (ADS)
Diachkovskii, A. S.; Zykova, A. I.; Ishchenko, A. N.; Kasimov, V. Z.; Rogaev, K. S.; Sidorov, A. D.
2017-11-01
This paper describes a software package that allows to explore the interior ballistics processes occurring in a shot scheme with bulk charges using propellant pasty substances at various loading schemes, etc. As a mathematical model, a model of a polydisperse mixture of non-deformable particles and a carrier gas phase is used in the quasi-one-dimensional approximation. Writing the equations of the mathematical model allows to use it to describe a broad class of interior ballistics processes. Features of the using approach are illustrated by calculating the ignition period for the charge of tubular propellant.
NASA Astrophysics Data System (ADS)
Opoku, Francis; Govender, Krishna Kuben; Sittert, Cornelia Gertina Catharina Elizabeth van; Govender, Penny Poomani
2018-01-01
Graphite-like carbon nitride (g-C3N4)-based heterostructures have received much attention due to their prominent photocatalytic activity. The g-C3N4/Bi2WO6 and g-C3N4/Bi2MoO6 heterostructures, which follow a typical hetero-junction charge transfer mechanisms show a weak potential for hydrogen evolution and reactive radical generation under visible light irradiation. A mediator-free Z-scheme g-C3N4/Bi2MoO6(010) and g-C3N4/Bi2WO6(010) heterostructures photocatalyst are designed for the first time using first-principles studies. Moreover, theoretical understanding of the underlying mechanism, the effects of interfacial composition and the role the interface play in the overall photoactivity is still unexplained. The calculated band gap of the heterostructures is reduced compared to the bulk Bi2WO6 and Bi2MoO6. In this study, we systematically calculated energy band structure, optical properties and charge transfer of the g-C3N4/Bi2MoO6(010) and g-C3N4/Bi2WO6(010) heterostructures using the hybrid density functional theory approach. The results show that the charge transfer at the interface of the heterostructures induces a built-in potential, which benefits the separation of photogenerated charge carriers. The g-C3N4/Bi2MoO6(010) heterostructure with more negative adhesion energy (-1.10 eVA-2) is predicted to have a better adsorptive ability and can form more easily compared to the g-C3N4/Bi2WO6(010) interface (-1.16 eVA-2). Therefore, our results show that the g-C3N4 interaction with Bi2MoO6 is stronger than Bi2WO6, which is also verified by the smaller vertical separation (3.25 Å) between Bi2MoO6 and g-C3N4 compared to the g-C3N4/Bi2WO6(010) interface (3.36 Å). The optical absorption verifies that these proposed Z-scheme heterostructures are excellent visible light harvesting semiconductor photocatalyst materials. This enhancement is ascribed to the role of g-C3N4 monolayer as an electron acceptor and the direct Z-scheme charge carrier transfer at the interface of the heterostructures. This work is useful for designing new types of Z-scheme photocatalyst and offers new insight into Z-scheme charge transfer mechanism for applications in the field of solar energy conversion.
Clament Sagaya Selvam, N; Kim, Yeong Gyeong; Kim, Dong Jin; Hong, Won-Hwa; Kim, Woong; Park, Sung Hyuk; Jo, Wan-Kuen
2018-09-01
The efficient photocatalytic degradation of harmful organic pollutants (isoniazid (ISN) and 1,4-dioxane (DX)) via the Z-scheme electron transfer mechanism was accomplished using a photostable composite photocatalyst consisting of BiVO 4 , CdS, and reduced graphene oxide (RGO). Compared to their pristine counterparts, the RGO-mediated Z-scheme CdS/BiVO 4 (CdS/RGO-BiVO 4 ) nanocomposites exhibited superior degradation activities, mainly attributed to the prolonged charge separation. RGO was found to be involved in visible-light harvesting and acted as a solid-state electron mediator at the CdS/BiVO 4 interface to realize an effective Z-scheme electron transfer pathway, avoid photocatalyst self-oxidation, and lengthen the life span of charge carriers. The results of reactive species scavenging experiments, photoluminescence measurements, and transient photocurrent measurements, as well as the calculated band potentials of the synthesized photocatalysts, supported the Z-scheme electron/hole pair separation mechanism. Additionally, the intermediates formed during the degradation of ISN and DX were identified, and a possible fragmentation pattern was proposed. This systematic work aims to develop photostable Z-scheme composites as unique photocatalytic systems for the efficient removal of harmful organic pollutants. Copyright © 2018 Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Wang, Tai-Min; Chien, Wei-Yu; Hsu, Chia-Ling; Lin, Chrong Jung; King, Ya-Chin
2018-04-01
In this paper, we present a new differential p-channel multiple-time programmable (MTP) memory cell that is fully compatible with advanced 16 nm CMOS fin field-effect transistors (FinFET) logic processes. This differential MTP cell stores complementary data in floating gates coupled by a slot contact structure, which make different read currents possible on a single cell. In nanoscale CMOS FinFET logic processes, the gate dielectric layer becomes too thin to retain charges inside floating gates for nonvolatile data storage. By using a differential architecture, the sensing window of the cell can be extended and maintained by an advanced blanket boost scheme. The charge retention problem in floating gate cells can be improved by periodic restoring lost charges when significant read window narrowing occurs. In addition to high programming efficiency, this p-channel MTP cells also exhibit good cycling endurance as well as disturbance immunity. The blanket boost scheme can remedy the charge loss problem under thin gate dielectrics.
Room-temperature coupling between electrical current and nuclear spins in OLEDs
NASA Astrophysics Data System (ADS)
Malissa, H.; Kavand, M.; Waters, D. P.; van Schooten, K. J.; Burn, P. L.; Vardeny, Z. V.; Saam, B.; Lupton, J. M.; Boehme, C.
2014-09-01
The effects of external magnetic fields on the electrical conductivity of organic semiconductors have been attributed to hyperfine coupling of the spins of the charge carriers and hydrogen nuclei. We studied this coupling directly by implementation of pulsed electrically detected nuclear magnetic resonance spectroscopy in organic light-emitting diodes (OLEDs). The data revealed a fingerprint of the isotope (protium or deuterium) involved in the coherent spin precession observed in spin-echo envelope modulation. Furthermore, resonant control of the electric current by nuclear spin orientation was achieved with radiofrequency pulses in a double-resonance scheme, implying current control on energy scales one-millionth the magnitude of the thermal energy.
SORREL, CLOAKED IN HER HAZEGRAY PAINT SCHEME, UNDERWAY DURING WORLD ...
SORREL, CLOAKED IN HER HAZE-GRAY PAINT SCHEME, UNDERWAY DURING WORLD WAR II. A "MOUSETRAP" ANTI-SUBMARINE WEAPON SYSTEM IS CLEARLY VISIBLE ON THE BOW. VISIBLE ON THE STERN QUARTER IS THE OUTBOARD PORTION OF A DEPTH CHARGE LAUNCHER - U.S. Coast Guard Cutter SORREL, New York County, NY
The QCD Equation of state and critical end-point estimates at O (μB6)
NASA Astrophysics Data System (ADS)
Sharma, Sayantan; Bielefeld-BNL-CCNU Collaboration
2017-11-01
We present results for the QCD Equation of State at non-zero chemical potentials corresponding to the conserved charges in QCD using Taylor expansion upto sixth order in the baryon number, electric charge and strangeness chemical potentials. The latter two are constrained by the strangeness neutrality and a fixed electric charge to baryon number ratio. In our calculations, we use the Highly Improved Staggered Quarks (HISQ) discretization scheme at physical quark masses and at different values of the lattice spacings to control lattice cut-off effects. Furthermore we calculate the pressure along lines of constant energy density, which serve as proxies for the freeze-out conditions and discuss their dependence on μB, which is necessary for hydrodynamic modelling near freezeout. We also provide an estimate of the radius of convergence of the Taylor series from the 6th order coefficients which provides a new constraint on the location of the critical end-point in the T-μB plane of the QCD phase diagram.
Optimal control, investment and utilization schemes for energy storage under uncertainty
NASA Astrophysics Data System (ADS)
Mirhosseini, Niloufar Sadat
Energy storage has the potential to offer new means for added flexibility on the electricity systems. This flexibility can be used in a number of ways, including adding value towards asset management, power quality and reliability, integration of renewable resources and energy bill savings for the end users. However, uncertainty about system states and volatility in system dynamics can complicate the question of when to invest in energy storage and how best to manage and utilize it. This work proposes models to address different problems associated with energy storage within a microgrid, including optimal control, investment, and utilization. Electric load, renewable resources output, storage technology cost and electricity day-ahead and spot prices are the factors that bring uncertainty to the problem. A number of analytical methodologies have been adopted to develop the aforementioned models. Model Predictive Control and discretized dynamic programming, along with a new decomposition algorithm are used to develop optimal control schemes for energy storage for two different levels of renewable penetration. Real option theory and Monte Carlo simulation, coupled with an optimal control approach, are used to obtain optimal incremental investment decisions, considering multiple sources of uncertainty. Two stage stochastic programming is used to develop a novel and holistic methodology, including utilization of energy storage within a microgrid, in order to optimally interact with energy market. Energy storage can contribute in terms of value generation and risk reduction for the microgrid. The integration of the models developed here are the basis for a framework which extends from long term investments in storage capacity to short term operational control (charge/discharge) of storage within a microgrid. In particular, the following practical goals are achieved: (i) optimal investment on storage capacity over time to maximize savings during normal and emergency operations; (ii) optimal market strategy of buy and sell over 24-hour periods; (iii) optimal storage charge and discharge in much shorter time intervals.
Green's function enriched Poisson solver for electrostatics in many-particle systems
NASA Astrophysics Data System (ADS)
Sutmann, Godehard
2016-06-01
A highly accurate method is presented for the construction of the charge density for the solution of the Poisson equation in particle simulations. The method is based on an operator adjusted source term which can be shown to produce exact results up to numerical precision in the case of a large support of the charge distribution, therefore compensating the discretization error of finite difference schemes. This is achieved by balancing an exact representation of the known Green's function of regularized electrostatic problem with a discretized representation of the Laplace operator. It is shown that the exact calculation of the potential is possible independent of the order of the finite difference scheme but the computational efficiency for higher order methods is found to be superior due to a faster convergence to the exact result as a function of the charge support.
Jani, Vinod; Sonavane, Uddhavesh; Joshi, Rajendra
2016-07-01
Protein folding is a multi-micro second time scale event and involves many conformational transitions. Crucial conformational transitions responsible for biological functions of biomolecules are difficult to capture using current state-of-the-art molecular dynamics (MD) simulations. Protein folding, being a stochastic process, witnesses these transitions as rare events. Many new methodologies have been proposed for observing these rare events. In this work, a temperature-aided cascade MD is proposed as a technique for studying the conformational transitions. Folding studies for Engrailed homeodomain and Immunoglobulin domain B of protein A have been carried out. Using this methodology, the unfolded structures with RMSD of 20 Å were folded to a structure with RMSD of 2 Å. Three sets of cascade MD runs were carried out using implicit solvation, explicit solvation, and charge updation scheme. In the charge updation scheme, charges based on the conformation obtained are calculated and are updated in the topology file. In all the simulations, the structure of 2 Å was reached within a few nanoseconds using these methods. Umbrella sampling has been performed using snapshots from the temperature-aided cascade MD simulation trajectory to build an entire conformational transition pathway. The advantage of the method is that the possible pathways for a particular reaction can be explored within a short duration of simulation time and the disadvantage is that the knowledge of the start and end state is required. The charge updation scheme adds the polarization effects in the force fields. This improves the electrostatic interaction among the atoms, which may help the protein to fold faster.
Designing heteropolymers to fold into unique structures via water-mediated interactions.
Jamadagni, Sumanth N; Bosoy, Christian; Garde, Shekhar
2010-10-28
Hydrophobic homopolymers collapse into globular structures in water driven by hydrophobic interactions. Here we employ extensive molecular dynamics simulations to study the collapse of heteropolymers containing one or two pairs of oppositely charged monomers. We show that charging a pair of monomers can dramatically alter the most stable conformations from compact globular to more open hairpin-like. We systematically explore a subset of the sequence space of one- and two-charge-pair polymers, focusing on the locations of the charge pairs. Conformational stability is governed by a balance of hydrophobic interactions, hydration and interactions of charge groups, water-mediated charged-hydrophobic monomer repulsions, and other factors. As a result, placing charge pairs in the middle, away from the hairpin ends, leads to stable hairpin-like structures. Turning off the monomer-water attractions enhances hydrophobic interactions significantly leading to a collapse into compact globular structures even for two-charge-pair heteropolymers. In contrast, the addition of salt leads to open and extended structures, suggesting that solvation of charged monomer sites by salt ions dominates the salt-induced enhancement of hydrophobic interactions. We also test the ability of a predictive scheme based on the additivity of free energy of contact formation. The success of the scheme for symmetric two-charge-pair sequences and the failure for their flipped versions highlight the complexity of the heteropolymer conformation space and of the design problem. Collectively, our results underscore the ability of tuning water-mediated interactions to design stable nonglobular structures in water and present model heteropolymers for further studies in the extended thermodynamic space and in inhomogeneous environments.
Rematching AGS Booster synchrotron injection lattice for smaller transverse beam emittances
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, C.; Beebe-Wang, J.; Brown, K.
2017-01-25
The polarized proton beam is injected into the booster via the charge-exchange (H- to H+) scheme. The emittance growth due to scattering at the stripping foil is proportional to the beta functions at the foil. It was demonstrated that the current scheme of reducing the beta functions at the stripping foil preserves the emittance better; however the betatron tunes are above but very close to half integer. Due to concern of space charge and half integer in general, options of lattice designs aimed towards reducing the beta functions at the stripping foil with tunes at more favorable places are explored.
Enhancement of Voltage Stability of DC Smart Grid During Islanded Mode by Load Shedding Scheme
NASA Astrophysics Data System (ADS)
Nassor, Thabit Salim; Senjyu, Tomonobu; Yona, Atsushi
2015-10-01
This paper presents the voltage stability of a DC smart grid based on renewable energy resources during grid connected and isolated modes. During the islanded mode the load shedding, based on the state of charge of the battery and distribution line voltage, was proposed for voltage stability and reservation of critical load power. The analyzed power system comprises a wind turbine, a photovoltaic generator, storage battery as controllable load, DC loads, and power converters. A fuzzy logic control strategy was applied for power consumption control of controllable loads and the grid-connected dual active bridge series resonant converters. The proposed DC Smart Grid operation has been verified by simulation using MATLAB® and PLECS® Blockset. The obtained results show the effectiveness of the proposed method.
Adiabatically-controlled two-qubit gates using quantum dot hybrid qubits
NASA Astrophysics Data System (ADS)
Frees, Adam; Gamble, John King; Friesen, Mark; Coppersmith, S. N.
With its recent success in experimentally performing single-qubit gates, the quantum dot hybrid qubit is an excellent candidate for two-qubit gating. Here, we propose an operational scheme which exploits the electrostatic properties of such qubits to yield a tunable effective coupling in a system with a static capacitive coupling between the dots. We then use numerically calculated fidelities to demonstrate the effect of charge noise on single- and two-qubit gates with this scheme. Finally, we show steps towards optimizing the gates fidelities, and discuss ways that the scheme could be further improved. This work was supported in part by ARO (W911NF-12-0607) (W911NF-12-R-0012), NSF (PHY-1104660), ONR (N00014-15-1-0029). The authors gratefully acknowledge support from the Sandia National Laboratories Truman Fellowship Program, which is funded by the Laboratory Directed Research and Development (LDRD) Program. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000.
An 11-bit 200 MS/s subrange SAR ADC with low-cost integrated reference buffer
NASA Astrophysics Data System (ADS)
He, Xiuju; Gu, Xian; Li, Weitao; Jiang, Hanjun; Li, Fule; Wang, Zhihua
2017-10-01
This paper presents an 11-bit 200 MS/s subrange SAR ADC with an integrated reference buffer in 65 nm CMOS. The proposed ADC employs a 3.5-bit flash ADC for coarse conversion, and a compact timing scheme at the flash/SAR boundary to speed up the conversion. The flash decision is used to control charge compensating for the reference voltage to reduce its input-dependent fluctuation. Measurement results show that the fabricated ADC has achieved significant improvement by applying the reference charge compensation. In addition, the ADC achieves a maximum signal-to-noise-and-distortion ratio of 59.3 dB at 200 MS/s. It consumes 3.91 mW from a 1.2 V supply, including the reference buffer. Project supported by the Zhongxing Telecommunication Equipment Corporation and Beijing Microelectronics Technology Institute.
NASA Astrophysics Data System (ADS)
Lallart, Mickaël; Wu, Wen-Jong; Hsieh, Yuchieh; Yan, Linjuan
2017-11-01
This paper aims at proposing an electrical interface taking advantage of nonlinear treatment for both significantly increasing the voltage of a piezoelectric device and extracting the corresponding electrostatic energy in an independent way from the connected electrical load. The principles of the proposed system lies in quickly inverting the piezoelectric voltage on each extremum (synchronized switch on inductor operations) for a given number of extremum occurrences, and then extracting the total electrostatic energy available on the piezoelectric element through the so-called synchronous electric charge extraction (SECE) for energy harvesting purpose. Compared to classical SECE approach, which consists in extracting the energy on each voltage extremum occurrence, the proposed scheme shows a significant improvement in low-coupled systems thanks to a fine control of the trade-off between voltage amplification and number of extraction events.
NASA Astrophysics Data System (ADS)
Li, Xiaoyun; Hu, Haihua; Xu, Lingbo; Cui, Can; Qian, Degui; Li, Shuang; Zhu, Wenzhe; Wang, Peng; Lin, Ping; Pan, Jiaqi; Li, Chaorong
2018-05-01
Artificial Z-scheme system inspired by the natural photosynthesis in green plants has attracted extensive attention owing to its advantages such as simultaneously wide range light absorption, highly efficient charge separation and strong redox ability. In this paper, we report the synthesis of a novel all-solid-state direct Z-scheme photocatalyst of Ag3PO4/CeO2/TiO2 by depositing Ag3PO4 nanoparticles (NPs) on CeO2/TiO2 hierarchical branched nanowires (BNWs), where the CeO2/TiO2 BNWs act as a novel substrate for the well dispersed nano-size Ag3PO4. The Ag3PO4/CeO2/TiO2 photocatalyst exhibits excellent ability of photocatalytic oxygen evolution from pure water splitting. It is suggested that the Z-scheme charge transfer route between CeO2/TiO2 and Ag3PO4 improves the redox ability. On the other hand, the cascade energy level alignment in CeO2/TiO2 BNWs expedites the spatial charge separation, and hence suppresses photocatalytic backward reaction. However, it is difficult to realize a perfect excitation balance in Ag3PO4/CeO2/TiO2 and the composite still surfers photo-corrosion in photocatalysis reaction. Nevertheless, our results provide an innovative strategy of constructing a Z-scheme system from a type-II heterostructure and a highly efficient oxygen evolution catalyst.
SIMULATIONS OF TRANSVERSE STACKING IN THE NSLS-II BOOSTER
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fliller III, R.; Shaftan, T.
2011-03-28
The NSLS-II injection system consists of a 200 MeV linac and a 3 GeV booster. The linac needs to deliver 15 nC in 80 - 150 bunches to the booster every minute to achieve current stability goals in the storage ring. This is a very stringent requirement that has not been demonstrated at an operating light source. We have developed a scheme to transversely stack two bunch trains in the NSLS-II booster in order to alleviate the charge requirements on the linac. This scheme has been outlined previously. In this paper we show particle tracking simulations of the tracking scheme.more » We show simulations of the booster ramp with a stacked beam for a variety of lattice errors and injected beam parameters. In all cases the performance of the proposed stacking method is sufficient to reduce the required charge from the linac. For this reason the injection system of the NSLS-II booster is being designed to include this feature. The NSLS-II injection system consists of a 200 MeV linac and a 3 GeV booster. The injectors must provide 7.5nC in bunch trains 80-150 bunches long every minute for top off operation of the storage ring. Top off then requires that the linac deliver 15nC of charge once losses in the injector chain are taken into consideration. This is a very stringent requirement that has not been demonstrated at an operating light source. For this reason we have developed a method to transversely stack two bunch trains in the booster while maintaining the charge transport efficiency. This stacking scheme has been discussed previously. In this paper we show the simulations of the booster ramp with a single bunch train in the booster. Then we give a brief overview of the stacking scheme. Following, we show the results of stacking two bunch trains in the booster with varying beam emittances and train separations. The behavior of the beam through the ramp is examined showing that it is possible to stack two bunch trains in the booster.« less
Analysis on influencing factors of EV charging station planning based on AHP
NASA Astrophysics Data System (ADS)
Yan, F.; Ma, X. F.
2016-08-01
As a new means of transport, electric vehicle (EV) is of great significance to alleviate the energy crisis. EV charging station planning has a far-reaching significance for the development of EV industry. This paper analyzes the impact factors of EV charging station planning, and then uses the analytic hierarchy process (AHP) to carry on the further analysis to the influencing factors, finally it gets the weight of each influence factor, and provides the basis for the evaluation scheme of the planning of charging stations for EV.
Energy Level Alignment of N-Doping Fullerenes and Fullerene Derivatives Using Air-Stable Dopant.
Bao, Qinye; Liu, Xianjie; Braun, Slawomir; Li, Yanqing; Tang, Jianxin; Duan, Chungang; Fahlman, Mats
2017-10-11
Doping has been proved to be one of the powerful technologies to achieve significant improvement in the performance of organic electronic devices. Herein, we systematically map out the interface properties of solution-processed air-stable n-type (4-(1,3-dimethyl-2,3-dihydro-1H-benzoimidazol-2-yl)phenyl) doping fullerenes and fullerene derivatives and establish a universal energy level alignment scheme for this class of n-doped system. At low doping levels at which the charge-transfer doping induces mainly bound charges, the energy level alignment of the n-doping organic semiconductor can be described by combining integer charger transfer-induced shifts with a so-called double-dipole step. At high doping levels, significant densities of free charges are generated and the charge flows between the organic film and the conducting electrodes equilibrating the Fermi level in a classic "depletion layer" scheme. Moreover, we demonstrate that the model holds for both n- and p-doping of π-backbone molecules and polymers. With the results, we provide wide guidance for identifying the application of the current organic n-type doping technology in organic electronics.
NASA Astrophysics Data System (ADS)
Vlaeva, I.; Petkov, K.; Tasseva, J.; Todorov, R.; Yovcheva, T.; Sainov, S.
2010-12-01
We report the results of electric field influence on holographic recording in very thin chalcogenide glass films. The total internal reflection prism recording technique (Stetson's scheme) is applied for holographic recording. The main advantage of this scheme is the possibility of holographic recording in micro- and nanometer thick photosensitive materials. In the present work, 30 nm, 50 nm and 1.0 µm thick films are used. In the 1.0 µm thick film two slanted gratings are simultaneously recorded. In this recording geometry only one reconstructed beam is observed. The corona charging influence on the diffraction efficiency of the recorded gratings is investigated. A negative voltage of 5 kV is applied to the corona electrode (needle) prior to the holographic recording. The observed diffraction efficiency of charged samples is always higher in comparison with uncharged samples. The reconstructed beam intensity is monitored with a red (635 nm) semiconductor laser. The possible reason is an additional refractive index modulation due to the increase in polarization, caused by the electric charging.
Laser cooling of molecular anions.
Yzombard, Pauline; Hamamda, Mehdi; Gerber, Sebastian; Doser, Michael; Comparat, Daniel
2015-05-29
We propose a scheme for laser cooling of negatively charged molecules. We briefly summarize the requirements for such laser cooling and we identify a number of potential candidates. A detailed computation study with C_{2}^{-}, the most studied molecular anion, is carried out. Simulations of 3D laser cooling in a gas phase show that this molecule could be cooled down to below 1 mK in only a few tens of milliseconds, using standard lasers. Sisyphus cooling, where no photodetachment process is present, as well as Doppler laser cooling of trapped C_{2}^{-}, are also simulated. This cooling scheme has an impact on the study of cold molecules, molecular anions, charged particle sources, and antimatter physics.
Jo, Wan-Kuen; Sivakumar Natarajan, Thillai
2015-08-12
Novel redox-mediator-free direct Z-scheme CaIn2S4 marigold-flower-like/TiO2 (CIS/TNP) photocatalysts with different CaIn2S4 weight percentages were synthesized using a facile wet-impregnation method. Uniform hierarchical marigold-flower-like CaIn2S4 (CIS) microspheres were synthesized using a hydrothermal method. Field-emission scanning electron microscopy and transmission electron microscopy analyses suggested that the formation and aggregation of nanoparticles, followed by the growth of petals or sheets and their subsequent self-assembly, led to the formation of the uniform hierarchical marigold-flower-like CIS structures. The photocatalytic degradation efficiency of the direct Z-scheme CIS/TNP photocatalysts was evaluated through the degradation of the pharmaceutical compounds isoniazid (ISN) and metronidazole (MTZ). The direct Z-scheme CaIn2S4 marigold-flower-like/TiO2 (1%-CIS/TNP) photocatalyst showed enhanced performance in the ISN (71.9%) and MTZ (86.5%) photocatalytic degradations as compared to composites with different CaIn2S4 contents or the individual TiO2 and CaIn2S4. A possible enhancement mechanism based on the Z-scheme formed between the CIS and TNP for the improved photocatalytic efficiency was also proposed. The recombination rate of the photoinduced charge carriers was significantly suppressed for the direct Z-scheme CIS/TNP photocatalyst, which was confirmed by photoluminescence analysis. Radical-trapping studies revealed that photogenerated holes (h+), •OH, and O2•- are the primary active species, and suggested that the enhanced photocatalytic efficiency of the 1%-CIS/TNP follows the Z-scheme mechanism for transferring the charge carriers. It was further confirmed by hydroxyl (•OH) radical determination via fluorescence techniques revealed that higher concentration of •OH radical were formed over 1%-CIS/TNP than over bare CIS and TNP. The separation of the charge carriers was further confirmed using photocurrent and electron spin resonance measurements. Kinetic and chemical oxygen demand analyses were performed to confirm the ISN and MTZ degradation. The results demonstrated that the direct Z-scheme CIS/TNP photocatalyst shows superior decomposition efficiency for the degradation of these pharmaceuticals under the given reaction conditions.
NASA Astrophysics Data System (ADS)
Tsai, Yi-Pei; Hsieh, Ting-Huan; Lin, Chrong Jung; King, Ya-Chin
2017-09-01
A novel device for monitoring plasma-induced damage in the back-end-of-line (BEOL) process with charge splitting capability is first-time proposed and demonstrated. This novel charge splitting in situ recorder (CSIR) can independently trace the amount and polarity of plasma charging effects during the manufacturing process of advanced fin field-effect transistor (FinFET) circuits. Not only does it reveal the real-time and in situ plasma charging levels on the antennas, but it also separates positive and negative charging effect and provides two independent readings. As CMOS technologies push for finer metal lines in the future, the new charge separation scheme provides a powerful tool for BEOL process optimization and further device reliability improvements.
Absence of ballistic charge transport in the half-filled 1D Hubbard model
NASA Astrophysics Data System (ADS)
Carmelo, J. M. P.; Nemati, S.; Prosen, T.
2018-05-01
Whether in the thermodynamic limit of lattice length L → ∞, hole concentration mηz = - 2 Sηz/L = 1 -ne → 0, nonzero temperature T > 0, and U / t > 0 the charge stiffness of the 1D Hubbard model with first neighbor transfer integral t and on-site repulsion U is finite or vanishes and thus whether there is or there is no ballistic charge transport, respectively, remains an unsolved and controversial issue, as different approaches yield contradictory results. (Here Sηz = - (L -Ne) / 2 is the η-spin projection and ne =Ne / L the electronic density.) In this paper we provide an upper bound on the charge stiffness and show that (similarly as at zero temperature), for T > 0 and U / t > 0 it vanishes for mηz → 0 within the canonical ensemble in the thermodynamic limit L → ∞. Moreover, we show that at high temperature T → ∞ the charge stiffness vanishes as well within the grand-canonical ensemble for L → ∞ and chemical potential μ →μu where (μ -μu) ≥ 0 and 2μu is the Mott-Hubbard gap. The lack of charge ballistic transport indicates that charge transport at finite temperatures is dominated by a diffusive contribution. Our scheme uses a suitable exact representation of the electrons in terms of rotated electrons for which the numbers of singly occupied and doubly occupied lattice sites are good quantum numbers for U / t > 0. In contrast to often less controllable numerical studies, the use of such a representation reveals the carriers that couple to the charge probes and provides useful physical information on the microscopic processes behind the exotic charge transport properties of the 1D electronic correlated system under study.
Energy levels scheme simulation of divalent cobalt doped bismuth germanate
DOE Office of Scientific and Technical Information (OSTI.GOV)
Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com; Petkova, Petya; Avram, Nicolae M.
The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of dopedmore » BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.« less
Jirousková, Zuzana; Vareková, Radka Svobodová; Vanek, Jakub; Koca, Jaroslav
2009-05-01
The electronegativity equalization method (EEM) was developed by Mortier et al. as a semiempirical method based on the density-functional theory. After parameterization, in which EEM parameters A(i), B(i), and adjusting factor kappa are obtained, this approach can be used for calculation of average electronegativity and charge distribution in a molecule. The aim of this work is to perform the EEM parameterization using the Merz-Kollman-Singh (MK) charge distribution scheme obtained from B3LYP/6-31G* and HF/6-31G* calculations. To achieve this goal, we selected a set of 380 organic molecules from the Cambridge Structural Database (CSD) and used the methodology, which was recently successfully applied to EEM parameterization to calculate the HF/STO-3G Mulliken charges on large sets of molecules. In the case of B3LYP/6-31G* MK charges, we have improved the EEM parameters for already parameterized elements, specifically C, H, N, O, and F. Moreover, EEM parameters for S, Br, Cl, and Zn, which have not as yet been parameterized for this level of theory and basis set, we also developed. In the case of HF/6-31G* MK charges, we have developed the EEM parameters for C, H, N, O, S, Br, Cl, F, and Zn that have not been parameterized for this level of theory and basis set so far. The obtained EEM parameters were verified by a previously developed validation procedure and used for the charge calculation on a different set of 116 organic molecules from the CSD. The calculated EEM charges are in a very good agreement with the quantum mechanically obtained ab initio charges. 2008 Wiley Periodicals, Inc.
Meighan, Michelle M; Vasquez, Jared; Dziubcynski, Luke; Hews, Sarah; Hayes, Mark A
2011-01-01
This work presents a technique termed as "electrophoretic exclusion" that is capable of differentiation and concentration of proteins in bulk solution. In this method, a hydrodynamic flow is countered by the electrophoretic velocity to prevent a species from entering into a channel. The separation can be controlled by changing the flow rate or applied electric potential in order to exclude a certain species selectively while allowing others to pass through the capillary. The exclusion of various proteins is investigated using a flow-injection regime of the method. Concentration of myoglobin of up to 1200 times the background concentration in 60 s was demonstrated. Additionally, negatively charged myoglobin was separated from a solution containing negatively charged allophycocyanin. Cationic cytochrome c was also differentiated from a solution with allophycocyanin. The ability to differentially transport species in bulk solution enables parallel and serial separation modes not available with other separations schemes.
Importance biasing scheme implemented in the PRIZMA code
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kandiev, I.Z.; Malyshkin, G.N.
1997-12-31
PRIZMA code is intended for Monte Carlo calculations of linear radiation transport problems. The code has wide capabilities to describe geometry, sources, material composition, and to obtain parameters specified by user. There is a capability to calculate path of particle cascade (including neutrons, photons, electrons, positrons and heavy charged particles) taking into account possible transmutations. Importance biasing scheme was implemented to solve the problems which require calculation of functionals related to small probabilities (for example, problems of protection against radiation, problems of detection, etc.). The scheme enables to adapt trajectory building algorithm to problem peculiarities.
Diesel engine emissions reduction by multiple injections having increasing pressure
Reitz, Rolf D.; Thiel, Matthew P.
2003-01-01
Multiple fuel charges are injected into a diesel engine combustion chamber during a combustion cycle, and each charge after the first has successively greater injection pressure (a higher injection rate) than the prior charge. This injection scheme results in reduced emissions, particularly particulate emissions, and can be implemented by modifying existing injection system hardware. Further enhancements in emissions reduction and engine performance can be obtained by using known measures in conjunction with the invention, such as Exhaust Gas Recirculation (EGR).
Femtosecond activation of magnetoelectricity
NASA Astrophysics Data System (ADS)
Bossini, D.; Konishi, K.; Toyoda, S.; Arima, T.; Yumoto, J.; Kuwata-Gonokami, M.
2018-04-01
In magnetoelectric and multiferroic materials, the magnetic degree of freedom can be controlled by electric field, and vice versa. A significant amount of research has been devoted to exploiting this effect for magnetoelectric data storage and manipulation devices driven by d.c. electric fields1-4. Aiming at ever-faster schemes of magnetoelectric manipulation, a promising alternative approach offers similar control on a femtosecond timescale, relying on laser pulses4-6 to control both the charge7,8 and the magnetic9,10 order of solids. Here we photo-induce magnetoelectricity and multiferroicity in CuB2O4 on a sub-picosecond timescale. This process is triggered by the resonant optical generation of the highest-energy magnetic excitations—magnons with wavevectors near the edges of the Brillouin zone. The most striking consequence of the photo-excitation is that the absorption of light becomes non-reciprocal, which means that the material exhibits a different transparency for two opposite directions of propagation of light. The photo-induced magnetoelectricity does not show any decay on the picosecond timescale. Our findings uncover a path for ultrafast manipulations of the intrinsic coupling between charges and spins in multiferroics4, which may reveal unexplored magnetic configurations and unravel new functionalities in terms of femtosecond optical control of magnetism.
Control of parallel manipulators using force feedback
NASA Technical Reports Server (NTRS)
Nanua, Prabjot
1994-01-01
Two control schemes are compared for parallel robotic mechanisms actuated by hydraulic cylinders. One scheme, the 'rate based scheme', uses the position and rate information only for feedback. The second scheme, the 'force based scheme' feeds back the force information also. The force control scheme is shown to improve the response over the rate control one. It is a simple constant gain control scheme better suited to parallel mechanisms. The force control scheme can be easily modified for the dynamic forces on the end effector. This paper presents the results of a computer simulation of both the rate and force control schemes. The gains in the force based scheme can be individually adjusted in all three directions, whereas the adjustment in just one direction of the rate based scheme directly affects the other two directions.
Numerical Investigation of Two-Phase Flows With Charged Droplets in Electrostatic Field
NASA Technical Reports Server (NTRS)
Kim, Sang-Wook
1996-01-01
A numerical method to solve two-phase turbulent flows with charged droplets in an electrostatic field is presented. The ensemble-averaged Navier-Stokes equations and the electrostatic potential equation are solved using a finite volume method. The transitional turbulence field is described using multiple-time-scale turbulence equations. The equations of motion of droplets are solved using a Lagrangian particle tracking scheme, and the inter-phase momentum exchange is described by the Particle-In-Cell scheme. The electrostatic force caused by an applied electrical potential is calculated using the electrostatic field obtained by solving a Laplacian equation and the force exerted by charged droplets is calculated using the Coulombic force equation. The method is applied to solve electro-hydrodynamic sprays. The calculated droplet velocity distributions for droplet dispersions occurring in a stagnant surrounding are in good agreement with the measured data. For droplet dispersions occurring in a two-phase flow, the droplet trajectories are influenced by aerodynamic forces, the Coulombic force, and the applied electrostatic potential field.
A compact bipolar pulse-forming network-Marx generator based on pulse transformers.
Zhang, Huibo; Yang, Jianhua; Lin, Jiajin; Yang, Xiao
2013-11-01
A compact bipolar pulse-forming network (PFN)-Marx generator based on pulse transformers is presented in this paper. The high-voltage generator consisted of two sets of pulse transformers, 6 stages of PFNs with ceramic capacitors, a switch unit, and a matched load. The design is characterized by the bipolar pulse charging scheme and the compact structure of the PFN-Marx. The scheme of bipolar charging by pulse transformers increased the withstand voltage of the ceramic capacitors in the PFNs and decreased the number of the gas gap switches. The compact structure of the PFN-Marx was aimed at reducing the parasitic inductance in the generator. When the charging voltage on the PFNs was 35 kV, the matched resistive load of 48 Ω could deliver a high-voltage pulse with an amplitude of 100 kV. The full width at half maximum of the load pulse was 173 ns, and its rise time was less than 15 ns.
NASA Astrophysics Data System (ADS)
Yoshida, Minori; Miyaji, Kousuke
2018-04-01
A start-up charge pump circuit for an extremely low input voltage (V IN) is proposed and demonstrated. The proposed circuit uses an inverter level shifter to generate a 2V IN voltage swing to the gate of both main NMOS and PMOS power transistors in a charge pump to reduce the channel resistance. The proposed circuit is fully implemented in a standard 0.18 µm CMOS process, and the measurement result shows that a minimum input voltage of 190 mV is achieved and output power increases by 181% compared with the conventional forward-body-bias scheme at a 300 mV input voltage. The proposed scheme achieves a maximum efficiency of 59.2% when the input voltage is 390 mV and the output current is 320 nA. The proposed circuit is suitable as a start-up circuit in ultralow power energy harvesting power management applications to boost-up from below threshold voltage.
Development of longitudinally excited CO2 laser
NASA Astrophysics Data System (ADS)
Masroon, N. S.; Tanaka, M.; Tei, M.; Uno, K.; Tsuyama, M.; Nakano, H.
2018-05-01
Simple, compact, and affordable discharged-pumped CO2 laser controlled by a fast high voltage solid state switch has been developed. In this study, longitudinal excitation scheme has been adapted for simple configuration. In the longitudinal excitation scheme, the discharge is produced along the direction of the laser axis, and the electrodes are well separated with a small discharge cross-section. Triggered spark gap switch is usually used to switch out the high voltage because of simple and low cost. However, the triggered spark gap operates in the arc mode and suffer from recovery problem causing a short life time and low efficiency for high repetition rate operation. As a result, there is now considerable interest in replacing triggered spark gap switch with solid state switches. Solid state switches have significant advantages compared to triggered spark gap switch which include longer service lifetime, low cost and stable high trigger pulse. We have developed simple and low cost fast high voltage solid state switch that consists of series connected-MOSFETs. It has been installed to the longitudinally excited CO2 laser to realize the gap switch less operation. Characteristics of laser oscillation by varying the discharge length, charging voltage, capacitance and gas pressure have been evaluated. Longer discharge length produce high power of laser oscillation. Optimum charging voltage and gas pressure were existed for longitudinally excited CO2 laser.
Choices for Whom? The Rhetoric and Reality of the Direct Subsidy Scheme in Hong Kong (1988-2006)
ERIC Educational Resources Information Center
Tse, Thomas Kwan-choi
2008-01-01
School choice programs have proliferated around the world since the 1980s. Following this international trend, the Direct Subsidy Scheme (DSS) was launched in 1991 to revitalize Hong Kong's private school sector. DSS schools receive a similar subsidy per student to that received by aided schools, but they may charge fees and have greater control…
Influence and Challenges of the Capitation Grant on Education Delivery in Basic Schools in Ghana
ERIC Educational Resources Information Center
Pajibo, Edison; Tamanja, Emmanuel M. J.
2017-01-01
In Ghana, some children do not attend school, because their parents are unable to afford levies and fees charged by schools. This led to the introduction of the Capitation Grant Scheme in 2005. This study investigates the influence of the Capitation Grant Scheme on education delivery in basic schools in Ghana, through a close study of the Ga West…
Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approach
NASA Astrophysics Data System (ADS)
Beckett, Daniel; Krukau, Aliaksandr; Raghavachari, Krishnan
2017-11-01
The ONIOM hybrid method has found considerable success in QM:QM studies designed to approximate a high level of theory at a significantly reduced cost. This cost reduction is achieved by treating only a small model system with the target level of theory and the rest of the system with a low, inexpensive, level of theory. However, the choice of an appropriate model system is a limiting factor in ONIOM calculations and effects such as charge redistribution across the model system boundary must be considered as a source of error. In an effort to increase the general applicability of the ONIOM model, a method to treat the charge redistribution effect is developed using constrained density functional theory (CDFT) to constrain the charge experienced by the model system in the full calculation to the link atoms in the truncated model system calculations. Two separate CDFT-ONIOM schemes are developed and tested on a set of 20 reactions with eight combinations of levels of theory. It is shown that a scheme using a scaled Lagrange multiplier term obtained from the low-level CDFT model calculation outperforms ONIOM at each combination of levels of theory from 32% to 70%.
Carey, Gemma; Dickinson, Helen
2017-08-17
Internationally there has been a growth in the use of publicly funded service markets as a mechanism to deliver health and social services. This has accompanied the emergence of 'self-directed care' in a number of different policy areas including disability and aged care - often referred to as 'personalisation' (Giaimo and Manow, Comp. Pol Stud 32:967-1000, 1999; Needham, Public Money Manage 30:136-8, 2010; [Hood], [The Idea of Joined-up Government: A Historical Perspective], [2005]; Klijn and Koppenjan, Public Manage 2:437-54, 2000, Greener, Policy Polit 36:93-108, 2008). These reforms are underpinned by an idea that individuals should be placed in control of their own service needs, given funding directly by government and encouraged to exercise choice and control through purchasing their own services. A major challenge for governments in charge of these reforms is determining the best way to structure and govern emerging service markets markets. Given the growing international embrace of market-based reform mechanisms to provide essential services to citizens, finding ways to ensure they promote, and not diminish, people's health and wellbeing is vital. The Australian National Disability Insurance Scheme (NDIS) is Australia's first national approach to the use of personalised budgets. The program of research outlined in this paper brings together streams from a range of different studies in order to investigate the implementation of the NDIS longitudinally across different administrative levels of government, service providers and scheme participants. This programme of research will make a contribution to our understanding of the Australian scheme and how individualised funding operates within this context, but will also generate much needed evidence that will have relevance to other jurisdictions and help fill a gap in the evidence base.
Theoretical proposal for a magnetic resonance study of charge transport in organic semiconductors
NASA Astrophysics Data System (ADS)
Mkhitaryan, Vagharsh
Charge transport in disordered organic semiconductors occurs via carrier incoherent hops in a band of localized states. In the framework of continuous-time random walk the carrier on-site waiting time distribution (WTD) is one of the basic characteristics of diffusion. Besides, WTD is fundamentally related to the density of states (DOS) of localized states, which is a key feature of a material determining the optoelectric properties. However, reliable first-principle calculations of DOS in organic materials are not yet available and experimental characterization of DOS and WTD is desirable. We theoretically study the spin dynamics of hopping carriers and propose measurement schemes directly probing WTD, based on the zero-field spin relaxation and the primary (Hahn) spin echo. The proposed schemes are possible because, as we demonstrate, the long-time behavior of the zero-field relaxation and the primary echo is determined by WTD, both for the hyperfine coupling dominated and the spin-orbit coupling dominated spin dynamics. We also examine the dispersive charge transport, which is a non-Markovian sub-diffusive process characterized by non-stationarity. We show that the proposed schemes unambiguously capture the effects of non-stationarity, e.g., the aging behavior of random walks. This work was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.
Predicting p Ka values from EEM atomic charges
2013-01-01
The acid dissociation constant p Ka is a very important molecular property, and there is a strong interest in the development of reliable and fast methods for p Ka prediction. We have evaluated the p Ka prediction capabilities of QSPR models based on empirical atomic charges calculated by the Electronegativity Equalization Method (EEM). Specifically, we collected 18 EEM parameter sets created for 8 different quantum mechanical (QM) charge calculation schemes. Afterwards, we prepared a training set of 74 substituted phenols. Additionally, for each molecule we generated its dissociated form by removing the phenolic hydrogen. For all the molecules in the training set, we then calculated EEM charges using the 18 parameter sets, and the QM charges using the 8 above mentioned charge calculation schemes. For each type of QM and EEM charges, we created one QSPR model employing charges from the non-dissociated molecules (three descriptor QSPR models), and one QSPR model based on charges from both dissociated and non-dissociated molecules (QSPR models with five descriptors). Afterwards, we calculated the quality criteria and evaluated all the QSPR models obtained. We found that QSPR models employing the EEM charges proved as a good approach for the prediction of p Ka (63% of these models had R2 > 0.9, while the best had R2 = 0.924). As expected, QM QSPR models provided more accurate p Ka predictions than the EEM QSPR models but the differences were not significant. Furthermore, a big advantage of the EEM QSPR models is that their descriptors (i.e., EEM atomic charges) can be calculated markedly faster than the QM charge descriptors. Moreover, we found that the EEM QSPR models are not so strongly influenced by the selection of the charge calculation approach as the QM QSPR models. The robustness of the EEM QSPR models was subsequently confirmed by cross-validation. The applicability of EEM QSPR models for other chemical classes was illustrated by a case study focused on carboxylic acids. In summary, EEM QSPR models constitute a fast and accurate p Ka prediction approach that can be used in virtual screening. PMID:23574978
Silicon based quantum dot hybrid qubits
NASA Astrophysics Data System (ADS)
Kim, Dohun
2015-03-01
The charge and spin degrees of freedom of an electron constitute natural bases for constructing quantum two level systems, or qubits, in semiconductor quantum dots. The quantum dot charge qubit offers a simple architecture and high-speed operation, but generally suffers from fast dephasing due to strong coupling of the environment to the electron's charge. On the other hand, quantum dot spin qubits have demonstrated long coherence times, but their manipulation is often slower than desired for important future applications. This talk will present experimental progress of a `hybrid' qubit, formed by three electrons in a Si/SiGe double quantum dot, which combines desirable characteristics (speed and coherence) in the past found separately in qubits based on either charge or spin degrees of freedom. Using resonant microwaves, we first discuss qubit operations near the `sweet spot' for charge qubit operation. Along with fast (>GHz) manipulation rates for any rotation axis on the Bloch sphere, we implement two independent tomographic characterization schemes in the charge qubit regime: traditional quantum process tomography (QPT) and gate set tomography (GST). We also present resonant qubit operations of the hybrid qubit performed on the same device, DC pulsed gate operations of which were recently demonstrated. We demonstrate three-axis control and the implementation of dynamic decoupling pulse sequences. Performing QPT on the hybrid qubit, we show that AC gating yields π rotation process fidelities higher than 93% for X-axis and 96% for Z-axis rotations, which demonstrates efficient quantum control of semiconductor qubits using resonant microwaves. We discuss a path forward for achieving fidelities better than the threshold for quantum error correction using surface codes. This work was supported in part by ARO (W911NF-12-0607), NSF (PHY-1104660), DOE (DE-FG02-03ER46028), and by the Laboratory Directed Research and Development program at Sandia National Laboratories under contract DE-AC04-94AL85000.
2011-06-24
extensively studied by ultrafast laser spectroscopy. More recently the structures of the LH2 complexes has revealed the nonameric and octameric arrangement of...Scheme 1). 4 Scheme 1. Compartimentalization of light harvesting and charge separation. The antenna complexes( LH2 ,LH1-RC) efficiently...realize various photosynthetic functions using cofactors (BChl a and carotenoid) assembled into the apoproteins (LH1 and LH2 ). The light-harvesting
Explicit construction of BRST charge of noncommutative D-brane system
NASA Astrophysics Data System (ADS)
Hong, Soon-Tae
2006-01-01
In the BRST BFV scheme for noncommutative D-branes with constant NS B-field, introducing ghost degrees of freedom we construct the gauge-fixed Hamiltonian and corresponding effective Lagrangian invariant under nilpotent BRST charge. It is also shown that the presence of auxiliary variables introduced via the improved Dirac formalism plays a crucial role in the construction of the BRST invariant Lagrangian.
Path length differencing and energy conservation of the S[sub N] Boltzmann/Spencer-Lewis equation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Filippone, W.L.; Monahan, S.P.
It is shown that the S[sub N] Boltzmann/Spencer-Lewis equations conserve energy locally if and only if they satisfy particle balance and diamond differencing is used in path length. In contrast, the spatial differencing schemes have no bearing on the energy balance. Energy is conserved globally if it is conserved locally and the multigroup cross sections are energy conserving. Although the coupled electron-photon cross sections generated by CEPXS conserve particles and charge, they do not precisely conserve energy. It is demonstrated that these cross sections can be adjusted such that particles, charge, and energy are conserved. Finally, since a conventional negativemore » flux fixup destroys energy balance when applied to path legend, a modified fixup scheme that does not is presented.« less
Scalar self-force on eccentric geodesics in Schwarzschild spacetime: A time-domain computation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Haas, Roland
2007-06-15
We calculate the self-force acting on a particle with scalar charge moving on a generic geodesic around a Schwarzschild black hole. This calculation requires an accurate computation of the retarded scalar field produced by the moving charge; this is done numerically with the help of a fourth-order convergent finite-difference scheme formulated in the time domain. The calculation also requires a regularization procedure, because the retarded field is singular on the particle's world line; this is handled mode-by-mode via the mode-sum regularization scheme first introduced by Barack and Ori. This paper presents the numerical method, various numerical tests, and a samplemore » of results for mildly eccentric orbits as well as ''zoom-whirl'' orbits.« less
Diffusion of Conserved Charges in Relativistic Heavy Ion Collisions
NASA Astrophysics Data System (ADS)
Greif, Moritz; Fotakis, Jan. A.; Denicol, Gabriel S.; Greiner, Carsten
2018-06-01
We demonstrate that the diffusion currents do not depend only on gradients of their corresponding charge density, but that the different diffusion charge currents are coupled. This happens in such a way that it is possible for density gradients of a given charge to generate dissipative currents of another charge. Within this scheme, the charge diffusion coefficient is best viewed as a matrix, in which the diagonal terms correspond to the usual charge diffusion coefficients, while the off-diagonal terms describe the coupling between the different currents. In this Letter, we calculate for the first time the complete diffusion matrix for hot and dense nuclear matter, including baryon, electric, and strangeness charges. We find that the baryon diffusion current is strongly affected by baryon charge gradients but also by its coupling to gradients in strangeness. The electric charge diffusion current is found to be strongly affected by electric and strangeness gradients, whereas strangeness currents depend mostly on strange and baryon gradients.
Progress in understanding heavy-ion stopping
NASA Astrophysics Data System (ADS)
Sigmund, P.; Schinner, A.
2016-09-01
We report some highlights of our work with heavy-ion stopping in the energy range where Bethe stopping theory breaks down. Main tools are our binary stopping theory (PASS code), the reciprocity principle, and Paul's data base. Comparisons are made between PASS and three alternative theoretical schemes (CasP, HISTOP and SLPA). In addition to equilibrium stopping we discuss frozen-charge stopping, deviations from linear velocity dependence below the Bragg peak, application of the reciprocity principle in low-velocity stopping, modeling of equilibrium charges, and the significance of the so-called effective charge.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Halavanau, A.; Piot, P.
2015-12-01
Cascaded Longitudinal Space Charge Amplifiers (LSCA) have been proposed as a mechanism to generate density modulation over a board spectral range. The scheme has been recently demonstrated in the optical regime and has confirmed the production of broadband optical radiation. In this paper we investigate, via numerical simulations, the performance of a cascaded LSCA beamline at the Fermilab Accelerator Science & Technology (FAST) facility to produce broadband ultraviolet radiation. Our studies are carried out using elegant with included tree-based grid-less space charge algorithm.
Proof of the Feasibility of Coherent and Incoherent Schemes for Pumping a Gamma-Ray Laser
1990-03-01
systems, a dc power supply or a resonantly pulse a laboratory-swcled source of intense pulses of x rays deliv- charged sobirce. The latter configuration...GENERATOR. V 2 X- KRAY POWER tc o f- LM HA Tcs -0-50VOIC L SAYFir, 2. Resonant pulse power supply used TRIGGER to charge (he Blumlean in these expert- UNIT...primary The scaling of x-ray outputs to larger values with in- power supply to the pulse-charged system prevented the ac- creased system size is illustrated
Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values
DOE Office of Scientific and Technical Information (OSTI.GOV)
Schober, Christoph; Reuter, Karsten; Oberhofer, Harald, E-mail: harald.oberhofer@ch.tum.de
2016-02-07
We present a critical analysis of the popular fragment-orbital density-functional theory (FO-DFT) scheme for the calculation of electronic coupling values. We discuss the characteristics of different possible formulations or “flavors” of the scheme which differ by the number of electrons in the calculation of the fragments and the construction of the Hamiltonian. In addition to two previously described variants based on neutral fragments, we present a third version taking a different route to the approximate diabatic state by explicitly considering charged fragments. In applying these FO-DFT flavors to the two molecular test sets HAB7 (electron transfer) and HAB11 (hole transfer),more » we find that our new scheme gives improved electronic couplings for HAB7 (−6.2% decrease in mean relative signed error) and greatly improved electronic couplings for HAB11 (−15.3% decrease in mean relative signed error). A systematic investigation of the influence of exact exchange on the electronic coupling values shows that the use of hybrid functionals in FO-DFT calculations improves the electronic couplings, giving values close to or even better than more sophisticated constrained DFT calculations. Comparing the accuracy and computational cost of each variant, we devise simple rules to choose the best possible flavor depending on the task. For accuracy, our new scheme with charged-fragment calculations performs best, while numerically more efficient at reasonable accuracy is the variant with neutral fragments.« less
NASA Astrophysics Data System (ADS)
Voityuk, Alexander A.; Rösch, Notker
2002-09-01
The purpose of this communication is two-fold. We introduce the fragment charge difference (FCD) method to estimate the electron transfer matrix element HDA between a donor D and an acceptor A, and we apply this method to several aspects of hole transfer electronic couplings in π-stacks of DNA, including systems with several donor-acceptor sites. Within the two-state model, our scheme can be simplified to recover a convenient estimate of the electron transfer matrix element HDA=(1-Δq2)1/2(E2-E1)/2 based on the vertical excitation energy E2-E1 and the charge difference Δq between donor and acceptor. For systems with strong charge separation, Δq≳0.95, one should resort to the FCD method. As favorable feature, we demonstrate the stability of the FCD approach for systems which require an approach beyond the two-state model. On the basis of ab initio calculations of various DNA related systems, we compared three approaches for estimating the electronic coupling: the minimum splitting method, the generalized Mulliken-Hush (GMH) scheme, and the FCD approach. We studied the sensitivity of FCD and GMH couplings to the donor-acceptor energy gap and found both schemes to be quite robust; they are applicable also in cases where donor and acceptor states are off resonance. In the application to π-stacks of DNA, we demonstrated for the Watson-Crick pair dimer [(GC),(GC)] how structural changes considerably affect the coupling strength of electron hole transfer. For models of three Watson-Crick pairs, we showed that the two-state model significantly overestimates the hole transfer coupling whereas simultaneous treatment of several states leads to satisfactory results.
Multiple image encryption scheme based on pixel exchange operation and vector decomposition
NASA Astrophysics Data System (ADS)
Xiong, Y.; Quan, C.; Tay, C. J.
2018-02-01
We propose a new multiple image encryption scheme based on a pixel exchange operation and a basic vector decomposition in Fourier domain. In this algorithm, original images are imported via a pixel exchange operator, from which scrambled images and pixel position matrices are obtained. Scrambled images encrypted into phase information are imported using the proposed algorithm and phase keys are obtained from the difference between scrambled images and synthesized vectors in a charge-coupled device (CCD) plane. The final synthesized vector is used as an input in a random phase encoding (DRPE) scheme. In the proposed encryption scheme, pixel position matrices and phase keys serve as additional private keys to enhance the security of the cryptosystem which is based on a 4-f system. Numerical simulations are presented to demonstrate the feasibility and robustness of the proposed encryption scheme.
Comba, Peter; Martin, Bodo; Sanyal, Avik; Stephan, Holger
2013-08-21
A QSPR scheme for the computation of lipophilicities of ⁶⁴Cu complexes was developed with a training set of 24 tetraazamacrocylic and bispidine-based Cu(II) compounds and their experimentally available 1-octanol-water distribution coefficients. A minimum number of physically meaningful parameters were used in the scheme, and these are primarily based on data available from molecular mechanics calculations, using an established force field for Cu(II) complexes and a recently developed scheme for the calculation of fluctuating atomic charges. The developed model was also applied to an independent validation set and was found to accurately predict distribution coefficients of potential ⁶⁴Cu PET (positron emission tomography) systems. A possible next step would be the development of a QSAR-based biodistribution model to track the uptake of imaging agents in different organs and tissues of the body. It is expected that such simple, empirical models of lipophilicity and biodistribution will be very useful in the design and virtual screening of positron emission tomography (PET) imaging agents.
NASA Astrophysics Data System (ADS)
Poursina, Mohammad; Anderson, Kurt S.
2014-08-01
This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method.
Modeling track access charge to enhance railway industry performance
NASA Astrophysics Data System (ADS)
Berawi, Mohammed Ali; Miraj, Perdana; Berawi, Abdur Rohim Boy; Susantono, Bambang; Leviakangas, Pekka; Radiansyah, Hendra
2017-11-01
Indonesia attempts to improve nation's competitiveness by increasing the quality and the availability of railway network. However, the infrastructure improperly managed by the operator in terms of the technical issue. One of the reasons for this problem is an unbalanced value of infrastructure charge. In 2000's track access charge and infrastructure maintenance and operation for Indonesia railways are equal and despite current formula of the infrastructure charge, issues of transparency and accountability still in question. This research aims to produce an alternative scheme of track access charge by considering marginal cost plus markup (MC+) approach. The research combines qualitative and quantitative method through an in-depth interview and financial analysis. The result will generate alternative formula of infrastructure charge in Indonesia's railway industry. The simulation also conducted to estimate track access charge for the operator and to forecast government support in terms of subsidy. The result is expected to enhance railway industry performance and competitiveness.
Wang, Jiajun; Li, Xiaoting; You, Ya; Xintong, Yang; Wang, Ying; Li, Qunxiang
2018-06-21
Mimicking the natural photosynthesis in green plants, artificial Z-scheme photocatalysis enables more efficient utilization of solar energy for photocatalytic water splitting. Most currently designed g-C3N4-based Z-scheme heterojunctions are usually based on metal-containing semiconductor photocatalysts, thus exploiting metal-free photocatalysts for Z-scheme water splitting is of huge interest. Herein, we propose two metal-free C3N/g-C3N4 heterojunctions with the C3N monolayer covering g-C3N4 sheet (monolayer or bilayer) and systematically explore their electronic structures, charge distributions and photocatalytic properties by performing extensive hybrid density functional calculations. We clearly reveal that the relative strong built-in electric fields around their respective interface regions, caused by the charge transfer from C3N monolayer to g-C3N4 monolayer or bilayer, result in the bands bending, renders the transfer of photogenerated carriers in these two heterojunctions following the Z-scheme instead of the type-II pathway. Moreover, the photogenerated electrons and holes in these two C3N/g-C3N4 heterojunctions not only can be efficiently separated, but also have strong redox abilities for water oxidation and reduction. Compared with the isolated g-C3N4 sheets, the light absorption in visible to near-infrared region are significantly enhanced in these proposed heterojunctions. These theoretical findings suggest that these proposed metal-free C3N/g-C3N4 heterojunctions are promising direct Z-scheme photocatalysts for solar water splitting. © 2018 IOP Publishing Ltd.
Generation of optical vortices with controllable topological charges and polarization patterns
NASA Astrophysics Data System (ADS)
Yang, Ching-Han; Fuh, Andy Ying-Guey
2017-02-01
We present a simple and flexible method of generating various vectorial vortex beams (VVBs) based on the scheme of double modulations from a single liquid crystal spatial light modulator (SLM). In this configuration, a half-wave plate (HWP) placed in front of the SLM is first used to control the weights of linear polarization components of incident light. Then, we respectively encode two orbital angular momentum (OAM) eigenstates displayed on each half of the SLM onto each of the linear components of light. This yields the generation of VVB fields spanned by a pair of linearly polarized OAM eigenstates. In order to convert polarization bases from the linear pair into another orthogonal pair, a quarter-wave plate (QWP) placed behind the SLM is used. This enables us to generate VVBs spanned by any pair of orthogonally polarized OAM eigenstates. Generally, the light states of polarization (SOP) can be presented as a geodesic path located on the plane perpendicular to the axis connecting the pair of bases used on the Poincaré sphere. The light property is adjustable depending on both slow axes of HWP and QWP, as well as via computer generated holograms. To validate generated beams, two measurement procedures are subsequently applied. First, Stokes polarimetry is used to measure the light SOP over the transverse plane. Next, a Shack-Hartmann wavefront sensor is used to measure the OAM charge. Both the simulated and experimental results are shown to be in a good qualitative agreement. In addition, both polarization patterns and OAM charges can be controlled independently using the proposed method.
Non-local electrical spin injection and detection in germanium at room temperature
NASA Astrophysics Data System (ADS)
Rortais, F.; Vergnaud, C.; Marty, A.; Vila, L.; Attané, J.-P.; Widiez, J.; Zucchetti, C.; Bottegoni, F.; Jaffrès, H.; George, J.-M.; Jamet, M.
2017-10-01
Non-local carrier injection/detection schemes lie at the very foundation of information manipulation in integrated systems. This paradigm consists in controlling with an external signal the channel where charge carriers flow between a "source" and a well separated "drain." The next generation electronics may operate on the spin of carriers in addition to their charge and germanium appears as the best hosting material to develop such a platform for its compatibility with mainstream silicon technology and the predicted long electron spin lifetime at room temperature. In this letter, we demonstrate injection of pure spin currents (i.e., with no associated transport of electric charges) in germanium, combined with non-local spin detection at 10 K and room temperature. For this purpose, we used a lateral spin valve with epitaxially grown magnetic tunnel junctions as spin injector and spin detector. The non-local magnetoresistance signal is clearly visible and reaches ≈15 mΩ at room temperature. The electron spin lifetime and diffusion length are 500 ps and 1 μm, respectively, the spin injection efficiency being as high as 27%. This result paves the way for the realization of full germanium spintronic devices at room temperature.
Improving Defect-Based Quantum Emitters in Silicon Carbide via Inorganic Passivation.
Polking, Mark J; Dibos, Alan M; de Leon, Nathalie P; Park, Hongkun
2018-01-01
Defect-based color centers in wide-bandgap crystalline solids are actively being explored for quantum information science, sensing, and imaging. Unfortunately, the luminescent properties of these emitters are frequently degraded by blinking and photobleaching that arise from poorly passivated host crystal surfaces. Here, a new method for stabilizing the photoluminescence and charge state of color centers based on epitaxial growth of an inorganic passivation layer is presented. Specifically, carbon antisite-vacancy pairs (CAV centers) in 4H-SiC, which serve as single-photon emitters at visible wavelengths, are used as a model system to demonstrate the power of this inorganic passivation scheme. Analysis of CAV centers with scanning confocal microscopy indicates a dramatic improvement in photostability and an enhancement in emission after growth of an epitaxial AlN passivation layer. Permanent, spatially selective control of the defect charge state can also be achieved by exploiting the mismatch in spontaneous polarization at the AlN/SiC interface. These results demonstrate that epitaxial inorganic passivation of defect-based quantum emitters provides a new method for enhancing photostability, emission, and charge state stability of these color centers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Control of a Robotic Hand Using a Tongue Control System-A Prosthesis Application.
Johansen, Daniel; Cipriani, Christian; Popovic, Dejan B; Struijk, Lotte N S A
2016-07-01
The aim of this study was to investigate the feasibility of using an inductive tongue control system (ITCS) for controlling robotic/prosthetic hands and arms. This study presents a novel dual modal control scheme for multigrasp robotic hands combining standard electromyogram (EMG) with the ITCS. The performance of the ITCS control scheme was evaluated in a comparative study. Ten healthy subjects used both the ITCS control scheme and a conventional EMG control scheme to complete grasping exercises with the IH1 Azzurra robotic hand implementing five grasps. Time to activate a desired function or grasp was used as the performance metric. Statistically significant differences were found when comparing the performance of the two control schemes. On average, the ITCS control scheme was 1.15 s faster than the EMG control scheme, corresponding to a 35.4% reduction in the activation time. The largest difference was for grasp 5 with a mean AT reduction of 45.3% (2.38 s). The findings indicate that using the ITCS control scheme could allow for faster activation of specific grasps or functions compared with a conventional EMG control scheme. For transhumeral and especially bilateral amputees, the ITCS control scheme could have a significant impact on the prosthesis control. In addition, the ITCS would provide bilateral amputees with the additional advantage of environmental and computer control for which the ITCS was originally developed.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Shaohong L.; Truhlar, Donald G., E-mail: truhlar@umn.edu
2014-09-14
Kohn-Sham (KS) time-dependent density functional theory (TDDFT) with most exchange-correlation functionals is well known to systematically underestimate the excitation energies of Rydberg and charge-transfer excited states of atomic and molecular systems. To improve the description of Rydberg states within the KS TDDFT framework, Gaiduk et al. [Phys. Rev. Lett. 108, 253005 (2012)] proposed a scheme that may be called HOMO depopulation. In this study, we tested this scheme on an extensive dataset of valence and Rydberg excitation energies of various atoms, ions, and molecules. It is also tested on a charge-transfer excitation of NH{sub 3}-F{sub 2} and on the potentialmore » energy curves of NH{sub 3} near a conical intersection. We found that the method can indeed significantly improve the accuracy of predicted Rydberg excitation energies while preserving reasonable accuracy for valence excitation energies. However, it does not appear to improve the description of charge-transfer excitations that are severely underestimated by standard KS TDDFT with conventional exchange-correlation functionals, nor does it perform appreciably better than standard TDDFT for the calculation of potential energy surfaces.« less
Coulomb interactions in charged fluids.
Vernizzi, Graziano; Guerrero-García, Guillermo Iván; de la Cruz, Monica Olvera
2011-07-01
The use of Ewald summation schemes for calculating long-range Coulomb interactions, originally applied to ionic crystalline solids, is a very common practice in molecular simulations of charged fluids at present. Such a choice imposes an artificial periodicity which is generally absent in the liquid state. In this paper we propose a simple analytical O(N(2)) method which is based on Gauss's law for computing exactly the Coulomb interaction between charged particles in a simulation box, when it is averaged over all possible orientations of a surrounding infinite lattice. This method mitigates the periodicity typical of crystalline systems and it is suitable for numerical studies of ionic liquids, charged molecular fluids, and colloidal systems with Monte Carlo and molecular dynamics simulations.
NASA Astrophysics Data System (ADS)
Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul
2016-08-01
Numerical solutions of the hydrodynamical model of semiconductor devices are presented in one and two-space dimension. The model describes the charge transport in semiconductor devices. Mathematically, the models can be written as a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the conservation element and solution element (CE/SE) method for hyperbolic step, and a semi-implicit scheme for the relaxation step. The numerical results of the suggested scheme are compared with the splitting scheme based on Nessyahu-Tadmor (NT) central scheme for convection step and the same semi-implicit scheme for the relaxation step. The effects of various parameters such as low field mobility, device length, lattice temperature and voltages for one-space dimensional hydrodynamic model are explored to further validate the generic applicability of the CE/SE method for the current model equations. A two dimensional simulation is also performed by CE/SE method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.
Stochastic collective dynamics of charged-particle beams in the stability regime
NASA Astrophysics Data System (ADS)
Petroni, Nicola Cufaro; de Martino, Salvatore; de Siena, Silvio; Illuminati, Fabrizio
2001-01-01
We introduce a description of the collective transverse dynamics of charged (proton) beams in the stability regime by suitable classical stochastic fluctuations. In this scheme, the collective beam dynamics is described by time-reversal invariant diffusion processes deduced by stochastic variational principles (Nelson processes). By general arguments, we show that the diffusion coefficient, expressed in units of length, is given by λcN, where N is the number of particles in the beam and λc the Compton wavelength of a single constituent. This diffusion coefficient represents an effective unit of beam emittance. The hydrodynamic equations of the stochastic dynamics can be easily recast in the form of a Schrödinger equation, with the unit of emittance replacing the Planck action constant. This fact provides a natural connection to the so-called ``quantum-like approaches'' to beam dynamics. The transition probabilities associated to Nelson processes can be exploited to model evolutions suitable to control the transverse beam dynamics. In particular we show how to control, in the quadrupole approximation to the beam-field interaction, both the focusing and the transverse oscillations of the beam, either together or independently.
Nonequivalent lanthanide defects: Energy level modeling
NASA Astrophysics Data System (ADS)
Joos, Jonas J.; Poelman, Dirk; Smet, Philippe F.
2016-11-01
Empirical charge-state transition level schemes are popular tools to model the properties of lanthanide-doped materials and their construction has become standard practice. Typically, it is implicitly assumed that all lanthanide ions form isostructural defects. However, in practice, multiple nonequivalent defects related to the same lanthanide can occur or different lanthanides can even incorporate in different ways. The consequences of these complications on the impurity energy levels are discussed in this article. It seems that small structural differences around the lanthanide dopant can give rise to important spectral differences in its emission. These are not always clearly reproduced by the charge-state transition level schemes. Improvements to the existing procedure are suggested and applied to the lanthanide ions in the well-studied host crystals SrAl2O4, Sr2Si5N8 and SrGa2S4.
Three-Triplet Model with Double SU(3) Symmetry
DOE R&D Accomplishments Database
Han, M. Y.; Nambu, Y.
1965-01-01
With a view to avoiding some of the kinematical and dynamical difficulties involved in the single triplet quark model, a model for the low lying baryons and mesons based on three triplets with integral charges is proposed, somewhat similar to the two-triplet model introduced earlier by one of us (Y. N.). It is shown that in a U(3) scheme of triplets with integral charges, one is naturally led to three triplets located symmetrically about the origin of I{sub 3} - Y diagram under the constraint that Nishijima-Gell-Mann relation remains intact. A double SU(3) symmetry scheme is proposed in which the large mass splittings between different representations are ascribed to one of the SU(3), while the other SU(3) is the usual one for the mass splittings within a representation of the first SU(3).
Feedback control of plasma instabilities with charged particle beams and study of plasma turbulence
NASA Technical Reports Server (NTRS)
Tham, Philip Kin-Wah
1994-01-01
A new non-perturbing technique for feedback control of plasma instabilities has been developed in the Columbia Linear Machine (CLM). The feedback control scheme involves the injection of a feedback modulated ion beam as a remote suppressor. The ion beam was obtained from a compact ion beam source which was developed for this purpose. A Langmuir probe was used as the feedback sensor. The feedback controller consisted of a phase-shifter and amplifiers. This technique was demonstrated by stabilizing various plasma instabilities to the background noise level, like the trapped particle instability, the ExB instability and the ion-temperature-gradient (ITG) driven instability. An important feature of this scheme is that the injected ion beam is non-perturbing to the plasma equilibrium parameters. The robustness of this feedback stabilization scheme was also investigated. The principal result is that the scheme is fairly robust, tolerating about 100% variation about the nominal parameter values. Next, this scheme is extended to the unsolved general problem of controlling multimode plasma instabilities simultaneously with a single sensor-suppressor pair. A single sensor-suppressor pair of feedback probes is desirable to reduce the perturbation caused by the probes. Two plasma instabilities the ExB and the ITG modes, were simultaneously stabilized. A simple 'state' feedback type method was used where more state information was generated from the single sensor Langmuir probe by appropriate signal processing, in this case, by differentiation. This proof-of-principle experiment demonstrated for the first time that by designing a more sophisticated electronic feedback controller, many plasma instabilities may be simultaneously controlled. Simple theoretical models showed generally good agreement with the feedback experimental results. On a parallel research front, a better understanding of the saturated state of a plasma instability was sought partly with the help of feedback. A plasma instability is usually observed in its saturated state and appears as a single feature in the frequency spectrum with a single azimuthal and parallel wavenumbers. The physics of the non-zero spectral width was investigated in detail because the finite spectral width can cause "turbulent" transport. One aspect of the "turbulence" was investigated by obtaining the scaling of the linear growth rate of the instabilities with the fluctuation levels. The linear growth rates were measured with the established gated feedback technique. The research showed that the ExB instability evolves into a quasi-coherent state when the fluctuation level is high. The coherent aspects were studied with a bispectral analysis. Moreover, the single spectral feature was discovered to be actually composed of a few radial harmonics. The radial harmonics play a role in the nonlinear saturation of the instability via three-wave coupling.
Domain wall in a quantum anomalous Hall insulator as a magnetoelectric piston
NASA Astrophysics Data System (ADS)
Upadhyaya, Pramey; Tserkovnyak, Yaroslav
2016-07-01
We theoretically study the magnetoelectric coupling in a quantum anomalous Hall insulator state induced by interfacing a dynamic magnetization texture to a topological insulator. In particular, we propose that the quantum anomalous Hall insulator with a magnetic configuration of a domain wall, when contacted by electrical reservoirs, acts as a magnetoelectric piston. A moving domain wall pumps charge current between electrical leads in a closed circuit, while applying an electrical bias induces reciprocal domain-wall motion. This pistonlike action is enabled by a finite reflection of charge carriers via chiral modes imprinted by the domain wall. Moreover, we find that, when compared with the recently discovered spin-orbit torque-induced domain-wall motion in heavy metals, the reflection coefficient plays the role of an effective spin-Hall angle governing the efficiency of the proposed electrical control of domain walls. Quantitatively, this effective spin-Hall angle is found to approach a universal value of 2, providing an efficient scheme to reconfigure the domain-wall chiral interconnects for possible memory and logic applications.
Freezing lines of colloidal Yukawa spheres. II. Local structure and characteristic lengths
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gapinski, Jacek, E-mail: gapinski@amu.edu.pl; Patkowski, Adam; NanoBioMedical Center, A. Mickiewicz University, Umultowska 85, 61-614 Poznań
Using the Rogers-Young (RY) integral equation scheme for the static pair correlation functions combined with the liquid-phase Hansen-Verlet freezing rule, we study the generic behavior of the radial distribution function and static structure factor of monodisperse charge-stabilized suspensions with Yukawa-type repulsive particle interactions at freezing. In a related article, labeled Paper I [J. Gapinski, G. Nägele, and A. Patkowski, J. Chem. Phys. 136, 024507 (2012)], this hybrid method was used to determine two-parameter freezing lines for experimentally controllable parameters, characteristic of suspensions of charged silica spheres in dimethylformamide. A universal scaling of the RY radial distribution function maximum is shownmore » to apply to the liquid-bcc and liquid-fcc segments of the universal freezing line. A thorough analysis is made of the behavior of characteristic distances and wavenumbers, next-neighbor particle coordination numbers, osmotic compressibility factor, and the Ravaché-Mountain-Streett minimum-maximum radial distribution function ratio.« less
Debpuur, Cornelius; Dalaba, Maxwell Ayindenaba; Chatio, Samuel; Adjuik, Martin; Akweongo, Patricia
2015-10-15
The government of Ghana introduced the National Health Insurance Scheme (NHIS) in 2003 through an Act of Parliament (Act 650) as a strategy to improve financial access to quality basic health care services. Although attendance at health facilities has increased since the introduction of the NHIS, there have been media reports of widespread abuse of the NHIS by scheme operators, service providers and insured persons. The aim of the study was to document behaviors and practices of service providers and clients of the NHIS in the Kassena-Nankana District (KND) of Ghana that constitute moral hazards (abuse of the scheme) and identify strategies to minimize such behaviors. Qualitative methods through 14 Focused Group Discussions (FGDs) and 5 individual in-depth interviews were conducted between December 2009 and January 2010. Thematic analysis was performed with the aid of QSR NVivo 8 software. Analysis of FGDs and in-depth interviews showed that community members, health providers and NHIS officers are aware of various behaviors and practices that constitute abuse of the scheme. Behaviors such as frequent and 'frivolous' visits to health facilities, impersonation, feigning sickness to collect drugs for non-insured persons, over charging for services provided to clients, charging clients for services not provided and over prescription were identified. Suggestions on how to minimize abuse of the NHIS offered by respondents included: reduction of premiums and registration fees, premium payments by installment, improvement in the picture quality of the membership cards, critical examination and verification of membership cards at health facilities, some ceiling on the number of times one can seek health care within a specified time period, and general education to change behaviors that abuse the scheme. Attention should be focused on addressing the identified moral hazard behaviors and pursue cost containment strategies to ensure the smooth operation of the scheme and enhance its sustainability.
Luo, Weidong; Franceschetti, Alberto; Varela, Maria; Tao, Jing; Pennycook, Stephen J; Pantelides, Sokrates T
2007-07-20
The structural, electronic, and magnetic properties of mixed-valence compounds are believed to be governed by strong electron correlations. Here we report benchmark density-functional calculations in the spin-polarized generalized-gradient approximation (GGA) for the ground-state properties of doped CaMnO(3). We find excellent agreement with all available data, while inclusion of strong correlations in the GGA+U scheme impairs this agreement. We demonstrate that formal oxidation states reflect only orbital occupancies, not charge transfer, and resolve outstanding controversies about charge ordering.
NASA Astrophysics Data System (ADS)
Luo, Weidong; Franceschetti, Alberto; Varela, Maria; Tao, Jing; Pennycook, Stephen J.; Pantelides, Sokrates T.
2007-07-01
The structural, electronic, and magnetic properties of mixed-valence compounds are believed to be governed by strong electron correlations. Here we report benchmark density-functional calculations in the spin-polarized generalized-gradient approximation (GGA) for the ground-state properties of doped CaMnO3. We find excellent agreement with all available data, while inclusion of strong correlations in the GGA+U scheme impairs this agreement. We demonstrate that formal oxidation states reflect only orbital occupancies, not charge transfer, and resolve outstanding controversies about charge ordering.
Density functional theory for d- and f-electron materials and compounds
Mattson, Ann E.; Wills, John M.
2016-02-12
Here, the fundamental requirements for a computationally tractable Density Functional Theory-based method for relativistic f- and (nonrelativistic) d-electron materials and compounds are presented. The need for basing the Kohn–Sham equations on the Dirac equation is discussed. The full Dirac scheme needs exchange-correlation functionals in terms of four-currents, but ordinary functionals, using charge density and spin-magnetization, can be used in an approximate Dirac treatment. The construction of a functional that includes the additional confinement physics needed for these materials is illustrated using the subsystem-functional scheme. If future studies show that a full Dirac, four-current based, exchange-correlation functional is needed, the subsystemmore » functional scheme is one of the few schemes that can still be used for constructing functional approximations.« less
Kubař, Tomáš; Elstner, Marcus
2013-04-28
In this work, a fragment-orbital density functional theory-based method is combined with two different non-adiabatic schemes for the propagation of the electronic degrees of freedom. This allows us to perform unbiased simulations of electron transfer processes in complex media, and the computational scheme is applied to the transfer of a hole in solvated DNA. It turns out that the mean-field approach, where the wave function of the hole is driven into a superposition of adiabatic states, leads to over-delocalization of the hole charge. This problem is avoided using a surface hopping scheme, resulting in a smaller rate of hole transfer. The method is highly efficient due to the on-the-fly computation of the coarse-grained DFT Hamiltonian for the nucleobases, which is coupled to the environment using a QM/MM approach. The computational efficiency and partial parallel character of the methodology make it possible to simulate electron transfer in systems of relevant biochemical size on a nanosecond time scale. Since standard non-polarizable force fields are applied in the molecular-mechanics part of the calculation, a simple scaling scheme was introduced into the electrostatic potential in order to simulate the effect of electronic polarization. It is shown that electronic polarization has an important effect on the features of charge transfer. The methodology is applied to two kinds of DNA sequences, illustrating the features of transfer along a flat energy landscape as well as over an energy barrier. The performance and relative merit of the mean-field scheme and the surface hopping for this application are discussed.
Terrorist Precursor Crimes: Issues and Options for Congress
2007-05-24
iterated by the purported comments of Abu Bakar Bashir, spiritual leader of the al Qaeda-linked Jemaah Islamiyah (JI), an Islamist group in Indonesia ...and law enforcement in recent years.61 In August 2006, Abdel-Ilah Elmardoudi was convicted for operating a phone card “shoulder surfing ” scheme in...identification fraud charges and the fourth defendant was cleared of all charges.64 Beyond calling card surfing , there has been increasing concern
Research to Assembly Scheme for Satellite Deck Based on Robot Flexibility Control Principle
NASA Astrophysics Data System (ADS)
Guo, Tao; Hu, Ruiqin; Xiao, Zhengyi; Zhao, Jingjing; Fang, Zhikai
2018-03-01
Deck assembly is critical quality control point in final satellite assembly process, and cable extrusion and structure collision problems in assembly process will affect development quality and progress of satellite directly. Aimed at problems existing in deck assembly process, assembly project scheme for satellite deck based on robot flexibility control principle is proposed in this paper. Scheme is introduced firstly; secondly, key technologies on end force perception and flexible docking control in the scheme are studied; then, implementation process of assembly scheme for satellite deck is described in detail; finally, actual application case of assembly scheme is given. Result shows that compared with traditional assembly scheme, assembly scheme for satellite deck based on robot flexibility control principle has obvious advantages in work efficiency, reliability and universality aspects etc.
Double Z-scheme ZnO/ZnS/g-C3N4 ternary structure for efficient photocatalytic H2 production
NASA Astrophysics Data System (ADS)
Dong, Zhifang; Wu, Yan; Thirugnanam, Natarajan; Li, Gonglin
2018-02-01
In the present work, a novel ZnO/ZnS/g-C3N4 ternary nanocomposite with double Z-scheme heterojunction has been designed via a two-step facile chemical conversion route. The spherical ZnS nanoparticles were uniformly loaded onto ZnO nanoflowers surface. And then the ZnO/ZnS nanocomposite was further hybridized with g-C3N4 nanosheets. Ternary ZnO/ZnS/g-C3N4 nanocomposite displays the largest specific surface area (about 76.2 m2/g), which provides plentiful activated sites for photocatalytic reaction. Furthermore, the ternary material exhibits the highest methylene blue photodegradation rate of about 0.0218 min-1 and the optimum photocatalytic H2 production (1205 μmol/g) over water splitting at 4 h under solar light irradiation. Moreover, it showed the highest photocurrent effect and the minimum charge-transfer resistance. These results implied that the higher photoactivity of ZnO/ZnS/g-C3N4 nanocomposite could be attributed to the multi-steps charge transfer and effective electron-hole separation in the double Z-scheme system.
Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability
NASA Astrophysics Data System (ADS)
Nagai, Ryo; Akashi, Ryosuke; Sasaki, Shu; Tsuneyuki, Shinji
2018-06-01
We incorporate in the Kohn-Sham self-consistent equation a trained neural-network projection from the charge density distribution to the Hartree-exchange-correlation potential n → VHxc for a possible numerical approach to the exact Kohn-Sham scheme. The potential trained through a newly developed scheme enables us to evaluate the total energy without explicitly treating the formula of the exchange-correlation energy. With a case study of a simple model, we show that the well-trained neural-network VHxc achieves accuracy for the charge density and total energy out of the model parameter range used for the training, indicating that the property of the elusive ideal functional form of VHxc can approximately be encapsulated by the machine-learning construction. We also exemplify a factor that crucially limits the transferability—the boundary in the model parameter space where the number of the one-particle bound states changes—and see that this is cured by setting the training parameter range across that boundary. The training scheme and insights from the model study apply to more general systems, opening a novel path to numerically efficient Kohn-Sham potential.
Li, Huashan; Lin, Zhibin; Lusk, Mark T; Wu, Zhigang
2014-10-21
The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.
Nonlinear Road Pricing : [Summary
DOT National Transportation Integrated Search
2012-01-01
Nonlinear pricing is an unfamiliar term for a familiar idea. Linear pricing charges all consumers the same price for the same quantity of goods or services; in nonlinear schemes, the price varies, depending, for example, on quantity purchased or a co...
Image analysis for microelectronic retinal prosthesis.
Hallum, L E; Cloherty, S L; Lovell, N H
2008-01-01
By way of extracellular, stimulating electrodes, a microelectronic retinal prosthesis aims to render discrete, luminous spots-so-called phosphenes-in the visual field, thereby providing a phosphene image (PI) as a rudimentary remediation of profound blindness. As part thereof, a digital camera, or some other photosensitive array, captures frames, frames are analyzed, and phosphenes are actuated accordingly by way of modulated charge injections. Here, we present a method that allows the assessment of image analysis schemes for integration with a prosthetic device, that is, the means of converting the captured image (high resolution) to modulated charge injections (low resolution). We use the mutual-information function to quantify the amount of information conveyed to the PI observer (device implantee), while accounting for the statistics of visual stimuli. We demonstrate an effective scheme involving overlapping, Gaussian kernels, and discuss extensions of the method to account for shortterm visual memory in observers, and their perceptual errors of omission and commission.
NASA Astrophysics Data System (ADS)
Chen, Guangye; Chacón, Luis; CoCoMans Team
2014-10-01
For decades, the Vlasov-Darwin model has been recognized to be attractive for PIC simulations (to avoid radiative noise issues) in non-radiative electromagnetic regimes. However, the Darwin model results in elliptic field equations that renders explicit time integration unconditionally unstable. Improving on linearly implicit schemes, fully implicit PIC algorithms for both electrostatic and electromagnetic regimes, with exact discrete energy and charge conservation properties, have been recently developed in 1D. This study builds on these recent algorithms to develop an implicit, orbit-averaged, time-space-centered finite difference scheme for the particle-field equations in multiple dimensions. The algorithm conserves energy, charge, and canonical-momentum exactly, even with grid packing. A simple fluid preconditioner allows efficient use of large timesteps, O (√{mi/me}c/veT) larger than the explicit CFL. We demonstrate the accuracy and efficiency properties of the of the algorithm with various numerical experiments in 2D3V.
Communication: Charge-population based dispersion interactions for molecules and materials
DOE Office of Scientific and Technical Information (OSTI.GOV)
Stöhr, Martin; Department Chemie, Technische Universität München, Lichtenbergstr. 4, D-85748 Garching; Michelitsch, Georg S.
2016-04-21
We introduce a system-independent method to derive effective atomic C{sub 6} coefficients and polarizabilities in molecules and materials purely from charge population analysis. This enables the use of dispersion-correction schemes in electronic structure calculations without recourse to electron-density partitioning schemes and expands their applicability to semi-empirical methods and tight-binding Hamiltonians. We show that the accuracy of our method is en par with established electron-density partitioning based approaches in describing intermolecular C{sub 6} coefficients as well as dispersion energies of weakly bound molecular dimers, organic crystals, and supramolecular complexes. We showcase the utility of our approach by incorporation of the recentlymore » developed many-body dispersion method [Tkatchenko et al., Phys. Rev. Lett. 108, 236402 (2012)] into the semi-empirical density functional tight-binding method and propose the latter as a viable technique to study hybrid organic-inorganic interfaces.« less
Nuclear electromagnetic charge and current operators in Chiral EFT
DOE Office of Scientific and Technical Information (OSTI.GOV)
Girlanda, Luca; Marcucci, Laura Elisa; Pastore, Saori
2013-08-01
We describe our method for deriving the nuclear electromagnetic charge and current operators in chiral perturbation theory, based on time-ordered perturbation theory. We then discuss possible strategies for fixing the relevant low-energy constants, from the magnetic moments of the deuteron and of the trinucleons, and from the radiative np capture cross sections, and identify a scheme which, partly relying on {Delta} resonance saturation, leads to a reasonable pattern of convergence of the chiral expansion.
Finite Element in Angle Unit Sphere Meshing for Charged Particle Transport.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ortega, Mario Ivan; Drumm, Clifton R.
Finite element in angle formulations of the charged particle transport equation require the discretization of the unit sphere. In Sceptre, a three-dimensional surface mesh of a sphere is transformed into a two-dimensional mesh. Projection of a sphere onto a two-dimensional surface is well studied with map makers spending the last few centuries attempting to create maps that preserve proportion and area. Using these techniques, various meshing schemes for the unit sphere were investigated.
Development of Tailorable Electrically Conductive Thermal Control Material Systems
NASA Technical Reports Server (NTRS)
Deshpande, M. S.; Harada, Y.
1997-01-01
The optical characteristics of surfaces on spacecraft are fundamental parameters in controlling its temperature. Passive thermal control coatings with designed solar absorptance and infrared emittance properties have been developed and have been in use for some time. In this total space environment, the coating must be stable and maintain its desired optical properties as well as mechanical properties for the course of the mission lifetime. The mission lifetimes are increasing and in our quest to save weight, newer substrates are being integrated which limit electrical grounding schemes. All of this has added to already existing concerns about spacecraft charging and related spacecraft failures or operational failures. The concern is even greater for thermal control surfaces that are very large. One way of alleviating such concerns is to design new thermal control material systems (TCMS) that can help to mitigate charging via providing charge leakage paths. The objective of this program was to develop two types of passive electrically conductive TCMS. The first was a highly absorbing/emitting black surface and the second was a low (alpha(sub s)/epsilon(sub N)) type white surface. The surface resistance goals for the black absorber was 10(exp 4) to 10(exp 9) Omega/square, and for the white surfaces it was 10(exp 6) to 10(exp 10) Omega/square. Several material system concepts were suggested and evaluated for space environment stability and electrical performance characterization. Our efforts in designing and evaluating these material systems have resulted in several developments. New concepts, pigments and binders have been developed to provide new engineering quality TCMS. Some of these have already found application on space hardware, some are waiting to be recognized by thermal designers, and some require further detailed studies to become state-of-the-art for future space hardware and space structures. Our studies on baseline state-of-the-art materials and conductive concepts have resulted in several important findings that are of interest to all thermal designers and systems integrators.
Selective growth of n-type nanoparticles on p-type semiconductors for Z-scheme photocatalysis.
Miyauchi, Masahiro; Nukui, Yuuya; Atarashi, Daiki; Sakai, Etsuo
2013-10-09
Nanoparticles of an n-type WO3 semiconductor were segregated on the surface of p-type CaFe2O4 particles by a heterogeneous nucleation process under controlled hydrothermal conditions. By use of this approach, WO3 nanoparticles were selectively deposited on the surface of CaFe2O4, resulting in a significant increase in the photocatalytic reaction rate of the WO3/CaFe2O4 composite for the decomposition of gaseous acetaldehyde under visible-light irradiation. The high visible-light activity of the WO3/CaFe2O4 composite was due to efficient charge recombination through the junctions that formed between the two semiconductors.
Nagata, Yuki; Lennartz, Christian
2008-07-21
The atomistic simulation of charge transfer process for an amorphous Alq(3) system is reported. By employing electrostatic potential charges, we calculate site energies and find that the standard deviation of site energy distribution is about twice as large as predicted in previous research. The charge mobility is calculated via the Miller-Abrahams formalism and the master equation approach. We find that the wide site energy distribution governs Poole-Frenkel-type behavior of charge mobility against electric field, while the spatially correlated site energy is not a dominant mechanism of Poole-Frenkel behavior in the range from 2x10(5) to 1.4x10(6) V/cm. Also we reveal that randomly meshed connectivities are, in principle, required to account for the Poole-Frenkel mechanism. Charge carriers find a zigzag pathway at low electric field, while they find a straight pathway along electric field when a high electric field is applied. In the space-charge-limited current scheme, the charge-carrier density increases with electric field strength so that the nonlinear behavior of charge mobility is enhanced through the strong charge-carrier density dependence of charge mobility.
New method to improve dynamic stiffness of electro-hydraulic servo systems
NASA Astrophysics Data System (ADS)
Bai, Yanhong; Quan, Long
2013-09-01
Most current researches working on improving stiffness focus on the application of control theories. But controller in closed-loop hydraulic control system takes effect only after the controlled position is deviated, so the control action is lagged. Thus dynamic performance against force disturbance and dynamic load stiffness can’t be improved evidently by advanced control algorithms. In this paper, the elementary principle of maintaining piston position unchanged under sudden external force load change by charging additional oil is analyzed. On this basis, the conception of raising dynamic stiffness of electro hydraulic position servo system by flow feedforward compensation is put forward. And a scheme using double servo valves to realize flow feedforward compensation is presented, in which another fast response servo valve is added to the regular electro hydraulic servo system and specially utilized to compensate the compressed oil volume caused by load impact in time. The two valves are arranged in parallel to control the cylinder jointly. Furthermore, the model of flow compensation is derived, by which the product of the amplitude and width of the valve’s pulse command signal can be calculated. And determination rules of the amplitude and width of pulse signal are concluded by analysis and simulations. Using the proposed scheme, simulations and experiments at different positions with different force changes are conducted. The simulation and experimental results show that the system dynamic performance against load force impact is largely improved with decreased maximal dynamic position deviation and shortened settling time. That is, system dynamic load stiffness is evidently raised. This paper proposes a new method which can effectively improve the dynamic stiffness of electro-hydraulic servo systems.
Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids.
Aradi, Bálint; Niklasson, Anders M N; Frauenheim, Thomas
2015-07-14
A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born-Oppenheimer molecular dynamics. For systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can be applied to a broad range of problems in materials science, chemistry, and biology.
NASA Astrophysics Data System (ADS)
El Sachat, Alexandros; Meristoudi, Anastasia; Markos, Christos; Pispas, Stergios; Riziotis, Christos
2014-03-01
A low cost and low complexity optical detection method of proteins is presented by employing a detection scheme based on electrostatic interactions, and implemented by sensitization of a polymer optical fibers' (POF) surface by thin overlayers of properly designed sensitive copolymer materials with predesigned charges. This method enables the fast detection of proteins having opposite charge to the overlayer, and also the effective discrimination of differently charged proteins like lysozyme (LYS) and bovine serum albumin (BSA). As sensitive materials the block and the random copolymers of the same monomers were employed, namely the block copolymer poly(styrene-b-2vinylpyridine) (PS-b- P2VP) and the corresponding random copolymer poly(styrene-r-2vinylpyridine) (PS-r-P2VP), of similar composition and molecular weights. Results show systematically different response between the block and the random copolymers, although of the same order of magnitude, drawing thus important conclusions on their applications' techno-economic aspects given that they have significantly different associated manufacturing method and costs. The use of the POF platform, in combination with those adaptable copolymer sensing materials could lead to efficient low cost bio-detection schemes.
Electrochemical force microscopy
Kalinin, Sergei V.; Jesse, Stephen; Collins, Liam F.; Rodriguez, Brian J.
2017-01-10
A system and method for electrochemical force microscopy are provided. The system and method are based on a multidimensional detection scheme that is sensitive to forces experienced by a biased electrode in a solution. The multidimensional approach allows separation of fast processes, such as double layer charging, and charge relaxation, and slow processes, such as diffusion and faradaic reactions, as well as capturing the bias dependence of the response. The time-resolved and bias measurements can also allow probing both linear (small bias range) and non-linear (large bias range) electrochemical regimes and potentially the de-convolution of charge dynamics and diffusion processes from steric effects and electrochemical reactivity.
Algorithms for adaptive stochastic control for a class of linear systems
NASA Technical Reports Server (NTRS)
Toda, M.; Patel, R. V.
1977-01-01
Control of linear, discrete time, stochastic systems with unknown control gain parameters is discussed. Two suboptimal adaptive control schemes are derived: one is based on underestimating future control and the other is based on overestimating future control. Both schemes require little on-line computation and incorporate in their control laws some information on estimation errors. The performance of these laws is studied by Monte Carlo simulations on a computer. Two single input, third order systems are considered, one stable and the other unstable, and the performance of the two adaptive control schemes is compared with that of the scheme based on enforced certainty equivalence and the scheme where the control gain parameters are known.
A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma
Ku, S.; Hager, R.; Chang, C. S.; ...
2016-04-01
In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles providemore » scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. In conclusion, the numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Podgorsak, A; Bednarek, D; Rudin, S
2016-06-15
Purpose: To successfully implement and operate a photon counting scheme on an electron multiplying charged-coupled device (EMCCD) based micro-CT system. Methods: We built an EMCCD based micro-CT system and implemented a photon counting scheme. EMCCD detectors use avalanche transfer registries to multiply the input signal far above the readout noise floor. Due to intrinsic differences in the pixel array, using a global threshold for photon counting is not optimal. To address this shortcoming, we generated a threshold array based on sixty dark fields (no x-ray exposure). We calculated an average matrix and a variance matrix of the dark field sequence.more » The average matrix was used for the offset correction while the variance matrix was used to set individual pixel thresholds for the photon counting scheme. Three hundred photon counting frames were added for each projection and 360 projections were acquired for each object. The system was used to scan various objects followed by reconstruction using an FDK algorithm. Results: Examination of the projection images and reconstructed slices of the objects indicated clear interior detail free of beam hardening artifacts. This suggests successful implementation of the photon counting scheme on our EMCCD based micro-CT system. Conclusion: This work indicates that it is possible to implement and operate a photon counting scheme on an EMCCD based micro-CT system, suggesting that these devices might be able to operate at very low x-ray exposures in a photon counting mode. Such devices could have future implications in clinical CT protocols. NIH Grant R01EB002873; Toshiba Medical Systems Corp.« less
A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ku, S.; Hager, R.; Chang, C. S.
In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles providemore » scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. In conclusion, the numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.« less
A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ku, S., E-mail: sku@pppl.gov; Hager, R.; Chang, C.S.
In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles providemore » scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.« less
Jiang, Deli; Ma, Wanxia; Xiao, Peng; Shao, Leqiang; Li, Di; Chen, Min
2018-02-15
All-solid-state Z-scheme heterojunction has attracted much attention in photocatalytic field because of its strong ability in charge separation and transfer. In the present study, all-solid-state ternary Z-scheme heterojunction constructed by graphitic carbon nitride (CN) nanosheet, carbon nanotube (CNT), and Bi 2 WO 6 (BWO) nanosheet, in which CNT was employed as the electron mediator. The CN/CNT/BWO ternary Z-scheme heterojunction shows the enhanced photocatalytic activity towards the degradation of tetracycline hydrochloride (TC) as compared to the pristine g-C 3 N 4 , Bi 2 WO 6 , CNT/BWO, CNT/CN, and CN/BWO. The significantly improved photocatalytic activity can be mainly ascribed to the formed CNT-mediated Z-scheme heterojunction, which facilitates the separation and transfer of photogenerated electron-hole pairs. Our work provides a rational design of all-solid-state Z-scheme heterojunction with CNT as the electron mediator for highly efficient photocatalysis. Copyright © 2017 Elsevier Inc. All rights reserved.
Nonvolatile memory with Co-SiO2 core-shell nanocrystals as charge storage nodes in floating gate
NASA Astrophysics Data System (ADS)
Liu, Hai; Ferrer, Domingo A.; Ferdousi, Fahmida; Banerjee, Sanjay K.
2009-11-01
In this letter, we reported nanocrystal floating gate memory with Co-SiO2 core-shell nanocrystal charge storage nodes. By using a water-in-oil microemulsion scheme, Co-SiO2 core-shell nanocrystals were synthesized and closely packed to achieve high density matrix in the floating gate without aggregation. The insulator shell also can help to increase the thermal stability of the nanocrystal metal core during the fabrication process to improve memory performance.
Calculation of longitudinal and transverse wake-field effects in dielectric structures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gai, W.
1989-01-01
The electro-magnetic radiation of a charged particle passing through a dielectric structure has many applications to accelerator physics. Recently a new acceleration scheme, called the dielectric wake field accelerator, has been proposed. It also can be used as a pick up system for a storage ring because of its slow wave characteristics. In order to study these effects in detail, in this paper we will calculate the wake field effects produced in a dielectric structure by a charged particle. 8 refs., 2 figs.
The strange sea density and charm production in deep inelastic charged current processes
NASA Astrophysics Data System (ADS)
Glück, M.; Kretzer, S.; Reya, E.
1996-02-01
Charm production as related to the determination of the strange sea density in deep inelastic charged current processes is studied predominantly in the framework of the overlineMS fixed flavor factorization scheme. Perturbative stability within this formalism is demonstrated. The compatibility of recent next-to-leading order strange quark distributions with the available dimuon and F2νN data is investigated. It is shown that final conclusions concerning these distributions afford further analyses of presently available and/or forthcoming neutrino data.
A script to highlight hydrophobicity and charge on protein surfaces
Hagemans, Dominique; van Belzen, Ianthe A. E. M.; Morán Luengo, Tania; Rüdiger, Stefan G. D.
2015-01-01
The composition of protein surfaces determines both affinity and specificity of protein-protein interactions. Matching of hydrophobic contacts and charged groups on both sites of the interface are crucial to ensure specificity. Here, we propose a highlighting scheme, YRB, which highlights both hydrophobicity and charge in protein structures. YRB highlighting visualizes hydrophobicity by highlighting all carbon atoms that are not bound to nitrogen and oxygen atoms. The charged oxygens of glutamate and aspartate are highlighted red and the charged nitrogens of arginine and lysine are highlighted blue. For a set of representative examples, we demonstrate that YRB highlighting intuitively visualizes segments on protein surfaces that contribute to specificity in protein-protein interfaces, including Hsp90/co-chaperone complexes, the SNARE complex and a transmembrane domain. We provide YRB highlighting in form of a script that runs using the software PyMOL. PMID:26528483
Intercalation of Li Ions into a Graphite Anode Material: Molecular Dynamics Simulations
NASA Astrophysics Data System (ADS)
Abou Hamad, Ibrahim; Novotny, Mark
2008-03-01
Large-scale molecular dynamics simulations of the anode half-cell of a lithium-ion battery are presented. The model system is composed of an anode represented by a stack of graphite sheets, an electrolyte of ethylene carbonate and propylene carbonate molecules, and lithium and hexafluorophosphate ions. The simulations are done in the NVT ensemble and at room temperature. One charging scheme explored is normal charging in which intercalation is enhanced by electric charges on the graphitic sheets. The second charging mechanism has an external applied oscillatory electric field of amplitude A and frequency f. The simulations were performed on 2.6 GHz Opteron processors, using 160 processors at a time. Our simulation results show an improvement in the intercalation time of the lithium ions for the second charging mechanism. The dependence of the intercalation time on A and f will be discussed.
Electron dynamics inside a vacuum tube diode through linear differential equations
NASA Astrophysics Data System (ADS)
González, Gabriel; Orozco, Fco. Javier González; Orozco
2014-04-01
In this paper we analyze the motion of charged particles in a vacuum tube diode by solving linear differential equations. Our analysis is based on expressing the volume charge density as a function of the current density and coordinates only, i.e. ρ=ρ(J,z), while in the usual scheme the volume charge density is expressed as a function of the current density and electrostatic potential, i.e. ρ=ρ(J,V). We show that, in the case of slow varying charge density, the space-charge-limited current is reduced up to 50%. Our approach gives the well-known behavior of the classical current density proportional to the three-halves power of the bias potential and inversely proportional to the square of the gap distance between electrodes, and does not require the solution of the nonlinear differential equation normally associated with the Child-Langmuir formulation.
Absolute charge calibration of scintillating screens for relativistic electron detection
NASA Astrophysics Data System (ADS)
Buck, A.; Zeil, K.; Popp, A.; Schmid, K.; Jochmann, A.; Kraft, S. D.; Hidding, B.; Kudyakov, T.; Sears, C. M. S.; Veisz, L.; Karsch, S.; Pawelke, J.; Sauerbrey, R.; Cowan, T.; Krausz, F.; Schramm, U.
2010-03-01
We report on new charge calibrations and linearity tests with high-dynamic range for eight different scintillating screens typically used for the detection of relativistic electrons from laser-plasma based acceleration schemes. The absolute charge calibration was done with picosecond electron bunches at the ELBE linear accelerator in Dresden. The lower detection limit in our setup for the most sensitive scintillating screen (KODAK Biomax MS) was 10 fC/mm2. The screens showed a linear photon-to-charge dependency over several orders of magnitude. An onset of saturation effects starting around 10-100 pC/mm2 was found for some of the screens. Additionally, a constant light source was employed as a luminosity reference to simplify the transfer of a one-time absolute calibration to different experimental setups.
Laser acceleration of electrons to giga-electron-volt energies using highly charged ions.
Hu, S X; Starace, Anthony F
2006-06-01
The recent proposal to use highly charged ions as sources of electrons for laser acceleration [S. X. Hu and A. F. Starace, Phys. Rev. Lett. 88, 245003 (2002)] is investigated here in detail by means of three-dimensional, relativistic Monte Carlo simulations for a variety of system parameters, such as laser pulse duration, ionic charge state, and laser focusing spot size. Realistic laser focusing effects--e.g., the existence of longitudinal laser field components-are taken into account. Results of spatial averaging over the laser focus are also presented. These numerical simulations show that the proposed scheme for laser acceleration of electrons from highly charged ions is feasible with current or near-future experimental conditions and that electrons with GeV energies can be obtained in such experiments.
An effective and secure key-management scheme for hierarchical access control in E-medicine system.
Odelu, Vanga; Das, Ashok Kumar; Goswami, Adrijit
2013-04-01
Recently several hierarchical access control schemes are proposed in the literature to provide security of e-medicine systems. However, most of them are either insecure against 'man-in-the-middle attack' or they require high storage and computational overheads. Wu and Chen proposed a key management method to solve dynamic access control problems in a user hierarchy based on hybrid cryptosystem. Though their scheme improves computational efficiency over Nikooghadam et al.'s approach, it suffers from large storage space for public parameters in public domain and computational inefficiency due to costly elliptic curve point multiplication. Recently, Nikooghadam and Zakerolhosseini showed that Wu-Chen's scheme is vulnerable to man-in-the-middle attack. In order to remedy this security weakness in Wu-Chen's scheme, they proposed a secure scheme which is again based on ECC (elliptic curve cryptography) and efficient one-way hash function. However, their scheme incurs huge computational cost for providing verification of public information in the public domain as their scheme uses ECC digital signature which is costly when compared to symmetric-key cryptosystem. In this paper, we propose an effective access control scheme in user hierarchy which is only based on symmetric-key cryptosystem and efficient one-way hash function. We show that our scheme reduces significantly the storage space for both public and private domains, and computational complexity when compared to Wu-Chen's scheme, Nikooghadam-Zakerolhosseini's scheme, and other related schemes. Through the informal and formal security analysis, we further show that our scheme is secure against different attacks and also man-in-the-middle attack. Moreover, dynamic access control problems in our scheme are also solved efficiently compared to other related schemes, making our scheme is much suitable for practical applications of e-medicine systems.
Efficient self-consistency for magnetic tight binding
NASA Astrophysics Data System (ADS)
Soin, Preetma; Horsfield, A. P.; Nguyen-Manh, D.
2011-06-01
Tight binding can be extended to magnetic systems by including an exchange interaction on an atomic site that favours net spin polarisation. We have used a published model, extended to include long-ranged Coulomb interactions, to study defects in iron. We have found that achieving self-consistency using conventional techniques was either unstable or very slow. By formulating the problem of achieving charge and spin self-consistency as a search for stationary points of a Harris-Foulkes functional, extended to include spin, we have derived a much more efficient scheme based on a Newton-Raphson procedure. We demonstrate the capabilities of our method by looking at vacancies and self-interstitials in iron. Self-consistency can indeed be achieved in a more efficient and stable manner, but care needs to be taken to manage this. The algorithm is implemented in the code PLATO. Program summaryProgram title:PLATO Catalogue identifier: AEFC_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFC_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 228 747 No. of bytes in distributed program, including test data, etc.: 1 880 369 Distribution format: tar.gz Programming language: C and PERL Computer: Apple Macintosh, PC, Unix machines Operating system: Unix, Linux, Mac OS X, Windows XP Has the code been vectorised or parallelised?: Yes. Up to 256 processors tested RAM: Up to 2 Gbytes per processor Classification: 7.3 External routines: LAPACK, BLAS and optionally ScaLAPACK, BLACS, PBLAS, FFTW Catalogue identifier of previous version: AEFC_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 2616 Does the new version supersede the previous version?: Yes Nature of problem: Achieving charge and spin self-consistency in magnetic tight binding can be very difficult. Our existing schemes failed altogether, or were very slow. Solution method: A new scheme for achieving self-consistency in orthogonal tight binding has been introduced that explicitly evaluates the first and second derivatives of the energy with respect to input charge and spin, and then uses these to search for stationary values of the energy. Reasons for new version: Bug fixes and new functionality. Summary of revisions: New charge and spin mixing scheme for orthogonal tight binding. Numerous small bug fixes. Restrictions: The new mixing scheme scales poorly with system size. In particular the memory usage scales as number of atoms to the power 4. It is restricted to systems with about 200 atoms or less. Running time: Test cases will run in a few minutes, large calculations may run for several days.
Gyroaveraging operations using adaptive matrix operators
NASA Astrophysics Data System (ADS)
Dominski, Julien; Ku, Seung-Hoe; Chang, Choong-Seock
2018-05-01
A new adaptive scheme to be used in particle-in-cell codes for carrying out gyroaveraging operations with matrices is presented. This new scheme uses an intermediate velocity grid whose resolution is adapted to the local thermal Larmor radius. The charge density is computed by projecting marker weights in a field-line following manner while preserving the adiabatic magnetic moment μ. These choices permit to improve the accuracy of the gyroaveraging operations performed with matrices even when strong spatial variation of temperature and magnetic field is present. Accuracy of the scheme in different geometries from simple 2D slab geometry to realistic 3D toroidal equilibrium has been studied. A successful implementation in the gyrokinetic code XGC is presented in the delta-f limit.
Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids
DOE Office of Scientific and Technical Information (OSTI.GOV)
Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas
A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less
Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids
Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas
2015-06-26
A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less
HPAM: Hirshfeld Partitioned Atomic Multipoles
Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.
2011-01-01
An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank lmax on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from lmax = 0 (atomic charges) to lmax = 4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank lmax are shown to exactly reproduce ab initio molecular multipole moments of rank L for L ≤ lmax. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only (lmax = 0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. PMID:22140274
Magnetically coupled resonance wireless charging technology principles and transfer mechanisms
NASA Astrophysics Data System (ADS)
Zhou, Jiehua; Wan, Jian; Ma, Yinping
2017-05-01
With the tenure of Electric-Vehicle rising around the world, the charging methods have been paid more and more attention, the current charging mode mainly has the charging posts and battery swapping station. The construction of the charging pile or battery swapping station not only require lots of manpower, material costs but the bare conductor is also easy to generate electric spark hidden safety problems, still occupies large space. Compared with the wired charging, wireless charging mode is flexible, unlimited space and location factors and charging for vehicle safety and quickly. It complements the traditional charging methods in adaptability and the independent charge deficiencies. So the researching the wireless charging system have an important practical significance and application value. In this paper, wireless charging system designed is divided into three parts: the primary side, secondary side and resonant coupling. The main function of the primary side is to generate high-frequency alternating current, so selecting CLASS-E amplifier inverter structure through the research on full bridge, half-bridge and power amplification circuit. Addition, the wireless charging system is susceptible to outside interference, frequency drift phenomenon. Combined with the wireless energy transmission characteristics, resonant parts adopt resonant coupling energy transmission scheme and the Series-Series coupling compensation structure. For the electric vehicle charging power and voltage requirements, the main circuit is a full bridge inverter and Boost circuit used as the secondary side.
Raul, Pramod R; Pagilla, Prabhakar R
2015-05-01
In this paper, two adaptive Proportional-Integral (PI) control schemes are designed and discussed for control of web tension in Roll-to-Roll (R2R) manufacturing systems. R2R systems are used to transport continuous materials (called webs) on rollers from the unwind roll to the rewind roll. Maintaining web tension at the desired value is critical to many R2R processes such as printing, coating, lamination, etc. Existing fixed gain PI tension control schemes currently used in industrial practice require extensive tuning and do not provide the desired performance for changing operating conditions and material properties. The first adaptive PI scheme utilizes the model reference approach where the controller gains are estimated based on matching of the actual closed-loop tension control systems with an appropriately chosen reference model. The second adaptive PI scheme utilizes the indirect adaptive control approach together with relay feedback technique to automatically initialize the adaptive PI gains. These adaptive tension control schemes can be implemented on any R2R manufacturing system. The key features of the two adaptive schemes is that their designs are simple for practicing engineers, easy to implement in real-time, and automate the tuning process. Extensive experiments are conducted on a large experimental R2R machine which mimics many features of an industrial R2R machine. These experiments include trials with two different polymer webs and a variety of operating conditions. Implementation guidelines are provided for both adaptive schemes. Experimental results comparing the two adaptive schemes and a fixed gain PI tension control scheme used in industrial practice are provided and discussed. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.
Event-triggered attitude control of spacecraft
NASA Astrophysics Data System (ADS)
Wu, Baolin; Shen, Qiang; Cao, Xibin
2018-02-01
The problem of spacecraft attitude stabilization control system with limited communication and external disturbances is investigated based on an event-triggered control scheme. In the proposed scheme, information of attitude and control torque only need to be transmitted at some discrete triggered times when a defined measurement error exceeds a state-dependent threshold. The proposed control scheme not only guarantees that spacecraft attitude control errors converge toward a small invariant set containing the origin, but also ensures that there is no accumulation of triggering instants. The performance of the proposed control scheme is demonstrated through numerical simulation.
Ultrafast quantum control of ionization dynamics in krypton.
Hütten, Konrad; Mittermair, Michael; Stock, Sebastian O; Beerwerth, Randolf; Shirvanyan, Vahe; Riemensberger, Johann; Duensing, Andreas; Heider, Rupert; Wagner, Martin S; Guggenmos, Alexander; Fritzsche, Stephan; Kabachnik, Nikolay M; Kienberger, Reinhard; Bernhardt, Birgitta
2018-02-19
Ultrafast spectroscopy with attosecond resolution has enabled the real time observation of ultrafast electron dynamics in atoms, molecules and solids. These experiments employ attosecond pulses or pulse trains and explore dynamical processes in a pump-probe scheme that is selectively sensitive to electronic state of matter via photoelectron or XUV absorption spectroscopy or that includes changes of the ionic state detected via photo-ion mass spectrometry. Here, we demonstrate how the implementation of combined photo-ion and absorption spectroscopy with attosecond resolution enables tracking the complex multidimensional excitation and decay cascade of an Auger auto-ionization process of a few femtoseconds in highly excited krypton. In tandem with theory, our study reveals the role of intermediate electronic states in the formation of multiply charged ions. Amplitude tuning of a dressing laser field addresses different groups of decay channels and allows exerting temporal and quantitative control over the ionization dynamics in rare gas atoms.
Multidimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations
NASA Astrophysics Data System (ADS)
Chacon, Luis
2015-09-01
We discuss a new, conservative, fully implicit 2D-3V particle-in-cell algorithm for non-radiative, electromagnetic kinetic plasma simulations, based on the Vlasov-Darwin model. Unlike earlier linearly implicit PIC schemes and standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. This has been demonstrated in 1D electrostatic and electromagnetic contexts. In this study, we build on these recent algorithms to develop an implicit, orbit-averaged, time-space-centered finite difference scheme for the Darwin field and particle orbit equations for multiple species in multiple dimensions. The Vlasov-Darwin model is very attractive for PIC simulations because it avoids radiative noise issues in non-radiative electromagnetic regimes. The algorithm conserves global energy, local charge, and particle canonical-momentum exactly, even with grid packing. The nonlinear iteration is effectively accelerated with a fluid preconditioner, which allows efficient use of large timesteps, O(√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D and 2D. Support from the LANL LDRD program and the DOE-SC ASCR office.
NASA Astrophysics Data System (ADS)
Chu, Hsu-hsin; Wang, Jyhpyng
2018-05-01
Nonlinear optics in the extreme-ultraviolet (EUV) has been limited by lack of transparent media and small conversion efficiency. To overcome this problem we explore the advantage of using multiply charged ion plasmas as the interacting media between EUV and intense near-infrared (NIR) pulses. Such media are transparent to EUV and can withstand intense NIR driving pulses without damage. We calculate the third-order nonlinear polarizabilities of Ar2 + and Ar3 + ions for EUV and NIR four-wave mixing by using the well-proven Cowan code and find that the EUV-to-EUV conversion efficiency as high as 26% can be expected for practical experimental configurations using multi-terawatt NIR lasers. Such a high efficiency is possible because the driving pulse intensity can be scaled up to several orders of magnitude higher than in conventional nonlinear media, and the group-velocity and phase mismatch are insignificant at the experimental plasma densities. This effective scheme of wave mixing can be utilized for ultrafast EUV waveform measurement and control as well as wavelength conversion.
Spinor Structure and Internal Symmetries
NASA Astrophysics Data System (ADS)
Varlamov, V. V.
2015-10-01
Spinor structure and internal symmetries are considered within one theoretical framework based on the generalized spin and abstract Hilbert space. Complex momentum is understood as a generating kernel of the underlying spinor structure. It is shown that tensor products of biquaternion algebras are associated with the each irreducible representation of the Lorentz group. Space-time discrete symmetries P, T and their combination PT are generated by the fundamental automorphisms of this algebraic background (Clifford algebras). Charge conjugation C is presented by a pseudoautomorphism of the complex Clifford algebra. This description of the operation C allows one to distinguish charged and neutral particles including particle-antiparticle interchange and truly neutral particles. Spin and charge multiplets, based on the interlocking representations of the Lorentz group, are introduced. A central point of the work is a correspondence between Wigner definition of elementary particle as an irreducible representation of the Poincaré group and SU(3)-description (quark scheme) of the particle as a vector of the supermultiplet (irreducible representation of SU(3)). This correspondence is realized on the ground of a spin-charge Hilbert space. Basic hadron supermultiplets of SU(3)-theory (baryon octet and two meson octets) are studied in this framework. It is shown that quark phenomenologies are naturally incorporated into presented scheme. The relationship between mass and spin is established. The introduced spin-mass formula and its combination with Gell-Mann-Okubo mass formula allows one to take a new look at the problem of mass spectrum of elementary particles.
Moving charged particles in lattice Boltzmann-based electrokinetics
NASA Astrophysics Data System (ADS)
Kuron, Michael; Rempfer, Georg; Schornbaum, Florian; Bauer, Martin; Godenschwager, Christian; Holm, Christian; de Graaf, Joost
2016-12-01
The motion of ionic solutes and charged particles under the influence of an electric field and the ensuing hydrodynamic flow of the underlying solvent is ubiquitous in aqueous colloidal suspensions. The physics of such systems is described by a coupled set of differential equations, along with boundary conditions, collectively referred to as the electrokinetic equations. Capuani et al. [J. Chem. Phys. 121, 973 (2004)] introduced a lattice-based method for solving this system of equations, which builds upon the lattice Boltzmann algorithm for the simulation of hydrodynamic flow and exploits computational locality. However, thus far, a description of how to incorporate moving boundary conditions into the Capuani scheme has been lacking. Moving boundary conditions are needed to simulate multiple arbitrarily moving colloids. In this paper, we detail how to introduce such a particle coupling scheme, based on an analogue to the moving boundary method for the pure lattice Boltzmann solver. The key ingredients in our method are mass and charge conservation for the solute species and a partial-volume smoothing of the solute fluxes to minimize discretization artifacts. We demonstrate our algorithm's effectiveness by simulating the electrophoresis of charged spheres in an external field; for a single sphere we compare to the equivalent electro-osmotic (co-moving) problem. Our method's efficiency and ease of implementation should prove beneficial to future simulations of the dynamics in a wide range of complex nanoscopic and colloidal systems that were previously inaccessible to lattice-based continuum algorithms.
Boll, Rebecca; Erk, Benjamin; Coffee, Ryan; Trippel, Sebastian; Kierspel, Thomas; Bomme, Cédric; Bozek, John D.; Burkett, Mitchell; Carron, Sebastian; Ferguson, Ken R.; Foucar, Lutz; Küpper, Jochen; Marchenko, Tatiana; Miron, Catalin; Patanen, Minna; Osipov, Timur; Schorb, Sebastian; Simon, Marc; Swiggers, Michelle; Techert, Simone; Ueda, Kiyoshi; Bostedt, Christoph; Rolles, Daniel; Rudenko, Artem
2016-01-01
Ultrafast electron transfer in dissociating iodomethane and fluoromethane molecules was studied at the Linac Coherent Light Source free-electron laser using an ultraviolet-pump, X-ray-probe scheme. The results for both molecules are discussed with respect to the nature of their UV excitation and different chemical properties. Signatures of long-distance intramolecular charge transfer are observed for both species, and a quantitative analysis of its distance dependence in iodomethane is carried out for charge states up to I21+. The reconstructed critical distances for electron transfer are in good agreement with a classical over-the-barrier model and with an earlier experiment employing a near-infrared pump pulse. PMID:27051675
CoFFEE: Corrections For Formation Energy and Eigenvalues for charged defect simulations
NASA Astrophysics Data System (ADS)
Naik, Mit H.; Jain, Manish
2018-05-01
Charged point defects in materials are widely studied using Density Functional Theory (DFT) packages with periodic boundary conditions. The formation energy and defect level computed from these simulations need to be corrected to remove the contributions from the spurious long-range interaction between the defect and its periodic images. To this effect, the CoFFEE code implements the Freysoldt-Neugebauer-Van de Walle (FNV) correction scheme. The corrections can be applied to charged defects in a complete range of material shapes and size: bulk, slab (or two-dimensional), wires and nanoribbons. The code is written in Python and features MPI parallelization and optimizations using the Cython package for slow steps.
NASA Technical Reports Server (NTRS)
Kim, Won S.
1992-01-01
Two schemes of force reflecting control, position-error based force reflection and low-pass-filtered force reflection, both combined with shared compliance control, were developed for dissimilar master-slave arms. These schemes enabled high force reflection gains, which were not possible with a conventional scheme when the slave arm was much stiffer than the master arm. The experimental results with a peg-in-hole task indicated that the newly force reflecting control schemes combined with compliance control resulted in best task performances. As a related application, a simulated force reflection/shared compliance control teleoperation trainer was developed that provided the operator with the feel of kinesthetic force virtual reality.
An architecture for rapid prototyping of control schemes for artificial ventricles.
Ficola, Antonio; Pagnottelli, Stefano; Valigi, Paolo; Zoppitelli, Maurizio
2004-01-01
This paper presents an experimental system aimed at rapid prototyping of feedback control schemes for ventricular assist devices, and artificial ventricles in general. The system comprises a classical mock circulatory system, an actuated bellow-based ventricle chamber, and a software architecture for control schemes implementation and experimental data acquisition, visualization and storing. Several experiments have been carried out, showing good performance of ventricular pressure tracking control schemes.
Hu, Wenfeng; Liu, Lu; Feng, Gang
2016-09-02
This paper addresses the output consensus problem of heterogeneous linear multi-agent systems. We first propose a novel distributed event-triggered control scheme. It is shown that, with the proposed control scheme, the output consensus problem can be solved if two matrix equations are satisfied. Then, we further propose a novel self-triggered control scheme, with which continuous monitoring is avoided. By introducing a fixed timer into both event- and self-triggered control schemes, Zeno behavior can be ruled out for each agent. The effectiveness of the event- and self-triggered control schemes is illustrated by an example.
NASA Astrophysics Data System (ADS)
Na, Dong-Yeop; Omelchenko, Yuri A.; Moon, Haksu; Borges, Ben-Hur V.; Teixeira, Fernando L.
2017-10-01
We present a charge-conservative electromagnetic particle-in-cell (EM-PIC) algorithm optimized for the analysis of vacuum electronic devices (VEDs) with cylindrical symmetry (axisymmetry). We exploit the axisymmetry present in the device geometry, fields, and sources to reduce the dimensionality of the problem from 3D to 2D. Further, we employ 'transformation optics' principles to map the original problem in polar coordinates with metric tensor diag (1 ,ρ2 , 1) to an equivalent problem on a Cartesian metric tensor diag (1 , 1 , 1) with an effective (artificial) inhomogeneous medium introduced. The resulting problem in the meridian (ρz) plane is discretized using an unstructured 2D mesh considering TEϕ-polarized fields. Electromagnetic field and source (node-based charges and edge-based currents) variables are expressed as differential forms of various degrees, and discretized using Whitney forms. Using leapfrog time integration, we obtain a mixed E - B finite-element time-domain scheme for the full-discrete Maxwell's equations. We achieve a local and explicit time update for the field equations by employing the sparse approximate inverse (SPAI) algorithm. Interpolating field values to particles' positions for solving Newton-Lorentz equations of motion is also done via Whitney forms. Particles are advanced using the Boris algorithm with relativistic correction. A recently introduced charge-conserving scatter scheme tailored for 2D unstructured grids is used in the scatter step. The algorithm is validated considering cylindrical cavity and space-charge-limited cylindrical diode problems. We use the algorithm to investigate the physical performance of VEDs designed to harness particle bunching effects arising from the coherent (resonance) Cerenkov electron beam interactions within micro-machined slow wave structures.
Miniaturization of the atmospheric laser communication APT system
NASA Astrophysics Data System (ADS)
Sun, Wei; Ai, Yong; Yang, Jinling; Huang, Haibo
2003-09-01
The paper presents a scheme of the miniaturization of APT system and the design of the system based on the investigation of status in quo. It deals with the infrared image of the other terminal's beacon from the Charge Coupled Device (CCD) by the Complex Programmable Logic Device (CPLD). The result of the transaction is delivered to Single Chip Microcomputer (SCM), which controls the micro-servomotor. Subsequently, the precision drive system drives the optical system that uses only one light axis for signal beam and beacon to finish the acquisition, pointing, and tracking of the communication terminals. The anlayses of the APT system's error indicate that the tracking error limits in 70uRad with the weight of the system lighter than 8-kilogram.
A modular solid state detector for measuring high energy heavy ion fragmentation near the beam axis
NASA Technical Reports Server (NTRS)
Zeitlin, C. J.; Frankel, K. A.; Gong, W.; Heilbronn, L.; Lampo, E. J.; Leres, R.; Miller, J.; Schimmerling, W.
1994-01-01
A multi-element solid state detector has been designed to measure fluences of fragments produced near the beam axis by high energy heavy ion beams in thick targets. The detector is compact and modular, so as to be readily reconfigured according to the range of fragment charges and energies to be measured. Preamplifier gain settings and detector calibrations are adjustable remotely under computer control. We describe the central detector, its associated detectors and electronics, triggering scheme, data acquisition and particle identification techniques, illustrated by data taken with 600 MeV/u 56Fe beams and thick polyethylene targets at the LBL Bevalac. The applications of this work to space radiation protection are discussed.
Complementary spin transistor using a quantum well channel.
Park, Youn Ho; Choi, Jun Woo; Kim, Hyung-Jun; Chang, Joonyeon; Han, Suk Hee; Choi, Heon-Jin; Koo, Hyun Cheol
2017-04-20
In order to utilize the spin field effect transistor in logic applications, the development of two types of complementary transistors, which play roles of the n- and p-type conventional charge transistors, is an essential prerequisite. In this research, we demonstrate complementary spin transistors consisting of two types of devices, namely parallel and antiparallel spin transistors using InAs based quantum well channels and exchange-biased ferromagnetic electrodes. In these spin transistors, the magnetization directions of the source and drain electrodes are parallel or antiparallel, respectively, depending on the exchange bias field direction. Using this scheme, we also realize a complementary logic operation purely with spin transistors controlled by the gate voltage, without any additional n- or p-channel transistor.
Vacuum-induced quantum memory in an opto-electromechanical system
NASA Astrophysics Data System (ADS)
Qin, Li-Guo; Wang, Zhong-Yang; Wu, Shi-Chao; Gong, Shang-Qing; Ma, Hong-Yang; Jing, Jun
2018-03-01
We propose a scheme to implement electrically controlled quantum memory based on vacuum-induced transparency (VIT) in a high-Q tunable cavity, which is capacitively coupled to a mechanically variable capacitor by a charged mechanical cavity mirror as an interface. We analyze the changes of the cavity photons arising from vacuum-induced-Raman process and discuss VIT in an atomic ensemble trapped in the cavity. By slowly adjusting the voltage on the capacitor, the VIT can be adiabatically switched on or off, meanwhile, the transfer between the probe photon state and the atomic spin state can be electrically and adiabatically modulated. Therefore, we demonstrate a vacuum-induced quantum memory by electrically manipulating the mechanical mirror of the cavity based on electromagnetically induced transparency mechanism.
Fast packet switching algorithms for dynamic resource control over ATM networks
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tsang, R.P.; Keattihananant, P.; Chang, T.
1996-12-01
Real-time continuous media traffic, such as digital video and audio, is expected to comprise a large percentage of the network load on future high speed packet switch networks such as ATM. A major feature which distinguishes high speed networks from traditional slower speed networks is the large amount of data the network must process very quickly. For efficient network usage, traffic control mechanisms are essential. Currently, most mechanisms for traffic control (such as flow control) have centered on the support of Available Bit Rate (ABR), i.e., non real-time, traffic. With regard to ATM, for ABR traffic, two major types ofmore » schemes which have been proposed are rate- control and credit-control schemes. Neither of these schemes are directly applicable to Real-time Variable Bit Rate (VBR) traffic such as continuous media traffic. Traffic control for continuous media traffic is an inherently difficult problem due to the time- sensitive nature of the traffic and its unpredictable burstiness. In this study, we present a scheme which controls traffic by dynamically allocating/de- allocating resources among competing VCs based upon their real-time requirements. This scheme incorporates a form of rate- control, real-time burst-level scheduling and link-link flow control. We show analytically potential performance improvements of our rate- control scheme and present a scheme for buffer dimensioning. We also present simulation results of our schemes and discuss the tradeoffs inherent in maintaining high network utilization and statistically guaranteeing many users` Quality of Service.« less
Laser acceleration of electrons to giga-electron-volt energies using highly charged ions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hu, S. X.; Starace, Anthony F.
2006-06-15
The recent proposal to use highly charged ions as sources of electrons for laser acceleration [S. X. Hu and A. F. Starace, Phys. Rev. Lett. 88, 245003 (2002)] is investigated here in detail by means of three-dimensional, relativistic Monte Carlo simulations for a variety of system parameters, such as laser pulse duration, ionic charge state, and laser focusing spot size. Realistic laser focusing effects--e.g., the existence of longitudinal laser field components--are taken into account. Results of spatial averaging over the laser focus are also presented. These numerical simulations show that the proposed scheme for laser acceleration of electrons from highlymore » charged ions is feasible with current or near-future experimental conditions and that electrons with GeV energies can be obtained in such experiments.« less
Pricing Models and Payment Schemes for Library Collections.
ERIC Educational Resources Information Center
Stern, David
2002-01-01
Discusses new pricing and payment options for libraries in light of online products. Topics include alternative cost models rather than traditional subscriptions; use-based pricing; changes in scholarly communication due to information technology; methods to determine appropriate charges for different organizations; consortial plans; funding; and…
A shared position/force control methodology for teleoperation
NASA Technical Reports Server (NTRS)
Lee, Jin S.
1987-01-01
A flexible and computationally efficient shared position/force control concept and its implementation in the Robot Control C Library (RCCL) are presented form the point of teleoperation. This methodology enables certain degrees of freedom to be position-controlled through real time manual inputs and the remaining degrees of freedom to be force-controlled by computer. Functionally, it is a hybrid control scheme in that certain degrees of freedom are designated to be under position control, and the remaining degrees of freedom to be under force control. However, the methodology is also a shared control scheme because some degrees of freedom can be put under manual control and the other degrees of freedom put under computer control. Unlike other hybrid control schemes, which process position and force commands independently, this scheme provides a force control loop built on top of a position control inner loop. This feature minimizes the computational burden and increases disturbance rejection. A simple implementation is achieved partly because the joint control servos that are part of most robots can be used to provide the position control inner loop. Along with this control scheme, several menus were implemented for the convenience of the user. The implemented control scheme was successfully demonstrated for the tasks of hinged-panel opening and peg-in-hole insertion.
NASA Astrophysics Data System (ADS)
Gogonea, Valentin; Merz, Kenneth M.
2000-02-01
This paper presents a theoretical model for the investigation of charge transfer between ions and a solvent treated as a dielectric continuum media. The method is a combination of a semiempirical effective Hamiltonian with a modified Poisson-Boltzmann equation which includes charge transfer in the form of a surface charge density positioned at the dielectric interface. The new Poisson-Boltzmann equation together with new boundary conditions results in a new set of equations for the electrostatic potential (or polarization charge densities). Charge transfer adds a new free energy component to the solvation free energy term, which accounts for all interactions between the transferred charge at the dielectric interface, the solute wave function and the solvent polarization charges. Practical calculations on a set of 19 anions and 17 cations demonstrate that charge exchange with a dielectric is present and it is in the range of 0.06-0.4 eu. Furthermore, the pattern of the magnitudes of charge transfer can be related to the acid-base properties of the ions in many cases, but exceptions are also found. Finally, we show that the method leads to an energy decomposition scheme of the total electrostatic energy, which can be used in mechanistic studies on protein and DNA interaction with water.
Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals
NASA Astrophysics Data System (ADS)
Ge, Qinghui; Mao, Yuezhi; Head-Gordon, Martin
2018-02-01
An energy decomposition analysis (EDA) scheme is developed for understanding the intermolecular interaction involving molecules in their excited states. The EDA utilizes absolutely localized molecular orbitals to define intermediate states and is compatible with excited state methods based on linear response theory such as configuration interaction singles and time-dependent density functional theory. The shift in excitation energy when an excited molecule interacts with the environment is decomposed into frozen, polarization, and charge transfer contributions, and the frozen term can be further separated into Pauli repulsion and electrostatics. These terms can be added to their counterparts obtained from the ground state EDA to form a decomposition of the total interaction energy. The EDA scheme is applied to study a variety of systems, including some model systems to demonstrate the correct behavior of all the proposed energy components as well as more realistic systems such as hydrogen-bonding complexes (e.g., formamide-water, pyridine/pyrimidine-water) and halide (F-, Cl-)-water clusters that involve charge-transfer-to-solvent excitations.
Vanpool trip planning based on evolutionary multiple objective optimization
NASA Astrophysics Data System (ADS)
Zhao, Ming; Yang, Disheng; Feng, Shibing; Liu, Hengchang
2017-08-01
Carpool and vanpool draw a lot of researchers’ attention, which is the emphasis of this paper. A concrete vanpool operation definition is given, based on the given definition, this paper tackles vanpool operation optimization using user experience decline index(UEDI). This paper is focused on making each user having identical UEDI and the system having minimum sum of all users’ UEDI. Three contributions are made, the first contribution is a vanpool operation scheme diagram, each component of the scheme is explained in detail. The second contribution is getting all customer’s UEDI as a set, standard deviation and sum of all users’ UEDI set are used as objectives in multiple objective optimization to decide trip start address, trip start time and trip destination address. The third contribution is a trip planning algorithm, which tries to minimize the sum of all users’ UEDI. Geographical distribution of the charging stations and utilization rate of the charging stations are considered in the trip planning process.
Sankar, Punnaivanam; Aghila, Gnanasekaran
2007-01-01
The mechanism models for primary organic reactions encoding the structural fragments undergoing substitution, addition, elimination, and rearrangements are developed. In the proposed models, each and every structural component of mechanistic pathways is represented with flexible and fragment based markup technique in XML syntax. A significant feature of the system is the encoding of the electron movements along with the other components like charges, partial charges, half bonded species, lone pair electrons, free radicals, reaction arrows, etc. needed for a complete representation of reaction mechanism. The rendering of reaction schemes described with the proposed methodology is achieved with a concise XML extension language interoperating with the structure markup. The reaction scheme is visualized as 2D graphics in a browser by converting them into SVG documents enabling the desired layouts normally perceived by the chemists conventionally. An automatic representation of the complex patterns of the reaction mechanism is achieved by reusing the knowledge in chemical ontologies and developing artificial intelligence components in terms of axioms.
NASA Astrophysics Data System (ADS)
Csanak, G.; Fontes, C. J.; Kilcrease, D. P.; Hakel, P.; Inal, M. K.
2017-05-01
The rate equations used to model plasma kinetics and spectroscopy are typically obtained from intuitive considerations. A few years ago, the authors (Csanak et al 2011 J. Phys. B: At. Mol. Opt. Phys. 44 215701) have shown that the population-alignment collisional-radiative (CR) model and the magnetic sublevel to magnetic sublevel rate-equation scheme can be obtained from the Fano-Ben-Reuven quantum impact approximation (QIA). Here we provide a formal derivation of the rate-equation schemes for modeling hydrogenic plasmas and highly charged ionic plasmas with cylindrical symmetry using the QIA under certain approximations. In the case of hydrogenic plasmas the ‘accidental degeneracy’ (if present) leads to some coherences among the excited states of the atom (or ion) that have to be taken into account when constructing the rate equations. In the case of highly charged plasmas the Coulomb potential can be taken into account (as suggested originally by Baranger) in defining the ‘bath particles’, which leads to a derivation of the kinetic equations where no singularity occurs. For the case of spherically symmetric plasmas, this method also provides a derivation of the standard CR equations that have been implemented in many codes to successfully model the kinetics and spectra of highly charged ions.
NASA Astrophysics Data System (ADS)
Gaudreau, Louis; Bogan, Alex; Korkusinski, Marek; Studenikin, Sergei; Austing, D. Guy; Sachrajda, Andrew S.
2017-09-01
Long distance entanglement distribution is an important problem for quantum information technologies to solve. Current optical schemes are known to have fundamental limitations. A coherent photon-to-spin interface built with quantum dots (QDs) in a direct bandgap semiconductor can provide a solution for efficient entanglement distribution. QD circuits offer integrated spin processing for full Bell state measurement (BSM) analysis and spin quantum memory. Crucially the photo-generated spins can be heralded by non-destructive charge detection techniques. We review current schemes to transfer a polarization-encoded state or a time-bin-encoded state of a photon to the state of a spin in a QD. The spin may be that of an electron or that of a hole. We describe adaptations of the original schemes to employ heavy holes which have a number of attractive properties including a g-factor that is tunable to zero for QDs in an appropriately oriented external magnetic field. We also introduce simple throughput scaling models to demonstrate the potential performance advantage of full BSM capability in a QD scheme, even when the quantum memory is imperfect, over optical schemes relying on linear optical elements and ensemble quantum memories.
Development of advanced control schemes for telerobot manipulators
NASA Technical Reports Server (NTRS)
Nguyen, Charles C.; Zhou, Zhen-Lei
1991-01-01
To study space applications of telerobotics, Goddard Space Flight Center (NASA) has recently built a testbed composed mainly of a pair of redundant slave arms having seven degrees of freedom and a master hand controller system. The mathematical developments required for the computerized simulation study and motion control of the slave arms are presented. The slave arm forward kinematic transformation is presented which is derived using the D-H notation and is then reduced to its most simplified form suitable for real-time control applications. The vector cross product method is then applied to obtain the slave arm Jacobian matrix. Using the developed forward kinematic transformation and quaternions representation of the slave arm end-effector orientation, computer simulation is conducted to evaluate the efficiency of the Jacobian in converting joint velocities into Cartesian velocities and to investigate the accuracy of the Jacobian pseudo-inverse for various sampling times. In addition, the equivalence between Cartesian velocities and quaternion is also verified using computer simulation. The motion control of the slave arm is examined. Three control schemes, the joint-space adaptive control scheme, the Cartesian adaptive control scheme, and the hybrid position/force control scheme are proposed for controlling the motion of the slave arm end-effector. Development of the Cartesian adaptive control scheme is presented and some preliminary results of the remaining control schemes are presented and discussed.
Patsahan, O; Ciach, A
2012-09-01
Effects of size and charge asymmetry between oppositely charged ions or particles on spatial inhomogeneities are studied for a large range of charge and size ratios. We perform a stability analysis of the primitive model of ionic systems with respect to periodic ordering using the collective variables-based theory. We extend previous studies [Ciach et al., Phys. Rev. E 75, 051505 (2007)] in several ways. First, we employ a nonlocal approximation for the reference hard-sphere fluid which leads to the Percus-Yevick pair direct correlation functions for the uniform case. Second, we use the Weeks-Chandler-Anderson regularization scheme for the Coulomb potential inside the hard core. We determine the relevant order parameter connected with the periodic ordering and analyze the character of the dominant fluctuations along the λ lines. We show that the above-mentioned modifications produce large quantitative and partly qualitative changes in the phase diagrams obtained previously. We discuss possible scenarios of the periodic ordering for the whole range of size and charge ratios of the two ionic species, covering electrolytes, ionic liquids, charged globular proteins or nanoparticles in aqueous solutions, and charge-stabilized colloids.
Daud, Muhamad Zalani; Mohamed, Azah; Hannan, M. A.
2014-01-01
This paper presents an evaluation of an optimal DC bus voltage regulation strategy for grid-connected photovoltaic (PV) system with battery energy storage (BES). The BES is connected to the PV system DC bus using a DC/DC buck-boost converter. The converter facilitates the BES power charge/discharge to compensate for the DC bus voltage deviation during severe disturbance conditions. In this way, the regulation of DC bus voltage of the PV/BES system can be enhanced as compared to the conventional regulation that is solely based on the voltage-sourced converter (VSC). For the grid side VSC (G-VSC), two control methods, namely, the voltage-mode and current-mode controls, are applied. For control parameter optimization, the simplex optimization technique is applied for the G-VSC voltage- and current-mode controls, including the BES DC/DC buck-boost converter controllers. A new set of optimized parameters are obtained for each of the power converters for comparison purposes. The PSCAD/EMTDC-based simulation case studies are presented to evaluate the performance of the proposed optimized control scheme in comparison to the conventional methods. PMID:24883374
Daud, Muhamad Zalani; Mohamed, Azah; Hannan, M A
2014-01-01
This paper presents an evaluation of an optimal DC bus voltage regulation strategy for grid-connected photovoltaic (PV) system with battery energy storage (BES). The BES is connected to the PV system DC bus using a DC/DC buck-boost converter. The converter facilitates the BES power charge/discharge to compensate for the DC bus voltage deviation during severe disturbance conditions. In this way, the regulation of DC bus voltage of the PV/BES system can be enhanced as compared to the conventional regulation that is solely based on the voltage-sourced converter (VSC). For the grid side VSC (G-VSC), two control methods, namely, the voltage-mode and current-mode controls, are applied. For control parameter optimization, the simplex optimization technique is applied for the G-VSC voltage- and current-mode controls, including the BES DC/DC buck-boost converter controllers. A new set of optimized parameters are obtained for each of the power converters for comparison purposes. The PSCAD/EMTDC-based simulation case studies are presented to evaluate the performance of the proposed optimized control scheme in comparison to the conventional methods.
1997-08-22
A former Pinellas County, FL public health worker, [name removed], is charged with using a government AIDS surveillance database for his own personal dating scheme. He kept the county health department records on his own laptop computer and used the information to screen potential dates for himself and his friends. [Name removed] filed a pretrial free speech argument contending that his First Amendment rights were being violated. The Pinellas County judge dismissed that argument, clearing the way for a September trial. [Name removed] could face a year in prison on a first-degree misdemeanor charge.
NASA Astrophysics Data System (ADS)
Meng, Aiyun; Zhu, Bicheng; Zhong, Bo; Zhang, Liuyang; Cheng, Bei
2017-11-01
Photocatalytic H2 evolution, which utilizes solar energy via water splitting, is a promising route to deal with concerns about energy and environment. Herein, a direct Z-scheme TiO2/CdS binary hierarchical photocatalyst was fabricated via a successive ionic layer adsorption and reaction (SILAR) technique, and photocatalytic H2 production was measured afterwards. The as-prepared TiO2/CdS hybrid photocatalyst exhibited noticeably promoted photocatalytic H2-production activity of 51.4 μmol h-1. The enhancement of photocatalytic activity was ascribed to the hierarchical structure, as well as the efficient charge separation and migration from TiO2 nanosheets to CdS nanoparticles (NPs) at their tight contact interfaces. Moreover, the direct Z-scheme photocatalytic reaction mechanism was demonstrated to elucidate the improved photocatalytic performance of TiO2/CdS composite photocatalyst. The photoluminescence (PL) analysis of hydroxyl radicals were conducted to provide clues for the direct Z-scheme mechanism. This work provides a facile route for the construction of redox mediator-free Z-scheme photocatalytic system for photocatalytic water splitting.
Economic considerations and decision support tool for wastewater reuse scheme planning.
Hochstrat, R; Joksimovic, D; Wintgens, T; Melin, T; Savic, D
2007-01-01
The reuse of upgraded wastewater for beneficial uses is increasingly adopted and accepted as a tool in water management. However, funding of schemes is still a critical issue. The focus of this paper is on economic considerations of water reuse planning. A survey of pricing mechanisms for reclaimed water revealed that most schemes are subsidised to a great extent. In order to minimise these state contributions to the implementation and operation of reuse projects, their planning should identify a least cost design option. This also has to take into account the established pricing structure for conventional water resources and the possibility of gaining revenues from reclaimed water pricing. The paper presents a case study which takes into account these aspects. It evaluates different scheme designs with regard to their Net Present Value (NPV). It could be demonstrated that for the same charging level, quite different amounts of reclaimed water can be delivered while still producing an overall positive NPV. Moreover, the economic feasibility and competitiveness of a reuse scheme is highly determined by the cost structure of the conventional water market.
Obermann, Konrad; Chanturidze, Tata; Glazinski, Bernd; Dobberschuetz, Karin; Steinhauer, Heiko; Schmidt, Jean-Olivier
2018-02-20
Managers and administrators in charge of social protection and health financing, service purchasing and provision play a crucial role in harnessing the potential advantage of prudent organization, management and purchasing of health services, thereby supporting the attainment of Universal Health Coverage. However, very little is known about the needed quantity and quality of such staff, in particular when it comes to those institutions managing mandatory health insurance schemes and purchasing services. As many health care systems in low- and middle-income countries move towards independent institutions (both purchasers and providers) there is a clear need to have good data on staff and administrative cost in different social health protection schemes as a basis for investing in the development of a cadre of health managers and administrators for such schemes. We report on a systematic literature review of human resources in health management and administration in social protection schemes and suggest some aspects in moving research, practical applications and the policy debate forward.
Electronic properties of Fe3O4: LCAO calculations and Compton spectroscopy
NASA Astrophysics Data System (ADS)
Panwar, Kalpana; Tiwari, Shailja; Heda, N. L.
2018-04-01
We report the Compton profile (CP) measurements of Fe3O4 using 100 mCi241Am Compton spectrometer at momentum resolution of 0.55 a.u. The experimental CP has been compared with the linear combination of atomic orbitals (LCAO) data within density functional theory (DFT). The local density and generalized gradient approximation (LDA and GGA, respectively) have been used under the framework of DFT scheme. It is found that the DFT-GGA scheme gives the better agreement than to DFT-LDA. In addition, we have also computed the M ulliken's population (M P) and density of states (DOS) using the DFT scheme. M P data predicts the charge transfer from Fe to O atoms while DOS have confirmed the half metallic character of the compound.
Gyroaveraging operations using adaptive matrix operators
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dominski, Julien; Ku, Seung -Hoe; Chang, Choong -Seock
A new adaptive scheme to be used in particle-in-cell codes for carrying out gyroaveraging operations with matrices is presented. This new scheme uses an intermediate velocity grid whose resolution is adapted to the local thermal Larmor radius. The charge density is computed by projecting marker weights in a field-line following manner while preserving the adiabatic magnetic moment μ. These choices permit to improve the accuracy of the gyroaveraging operations performed with matrices even when strong spatial variation of temperature and magnetic field is present. Accuracy of the scheme in different geometries from simple 2D slab geometry to realistic 3D toroidalmore » equilibrium has been studied. As a result, a successful implementation in the gyrokinetic code XGC is presented in the delta-f limit.« less
Gyroaveraging operations using adaptive matrix operators
Dominski, Julien; Ku, Seung -Hoe; Chang, Choong -Seock
2018-05-17
A new adaptive scheme to be used in particle-in-cell codes for carrying out gyroaveraging operations with matrices is presented. This new scheme uses an intermediate velocity grid whose resolution is adapted to the local thermal Larmor radius. The charge density is computed by projecting marker weights in a field-line following manner while preserving the adiabatic magnetic moment μ. These choices permit to improve the accuracy of the gyroaveraging operations performed with matrices even when strong spatial variation of temperature and magnetic field is present. Accuracy of the scheme in different geometries from simple 2D slab geometry to realistic 3D toroidalmore » equilibrium has been studied. As a result, a successful implementation in the gyrokinetic code XGC is presented in the delta-f limit.« less
NASA Astrophysics Data System (ADS)
Ison, Mark; Artemiadis, Panagiotis
2014-10-01
Myoelectric control is filled with potential to significantly change human-robot interaction due to the ability to non-invasively measure human motion intent. However, current control schemes have struggled to achieve the robust performance that is necessary for use in commercial applications. As demands in myoelectric control trend toward simultaneous multifunctional control, multi-muscle coordinations, or synergies, play larger roles in the success of the control scheme. Detecting and refining patterns in muscle activations robust to the high variance and transient changes associated with surface electromyography is essential for efficient, user-friendly control. This article reviews the role of muscle synergies in myoelectric control schemes by dissecting each component of the scheme with respect to associated challenges for achieving robust simultaneous control of myoelectric interfaces. Electromyography recording details, signal feature extraction, pattern recognition and motor learning based control schemes are considered, and future directions are proposed as steps toward fulfilling the potential of myoelectric control in clinically and commercially viable applications.
A cascaded coding scheme for error control
NASA Technical Reports Server (NTRS)
Shu, L.; Kasami, T.
1985-01-01
A cascade coding scheme for error control is investigated. The scheme employs a combination of hard and soft decisions in decoding. Error performance is analyzed. If the inner and outer codes are chosen properly, extremely high reliability can be attained even for a high channel bit-error-rate. Some example schemes are evaluated. They seem to be quite suitable for satellite down-link error control.
A cascaded coding scheme for error control
NASA Technical Reports Server (NTRS)
Kasami, T.; Lin, S.
1985-01-01
A cascaded coding scheme for error control was investigated. The scheme employs a combination of hard and soft decisions in decoding. Error performance is analyzed. If the inner and outer codes are chosen properly, extremely high reliability can be attained even for a high channel bit-error-rate. Some example schemes are studied which seem to be quite suitable for satellite down-link error control.
NASA Astrophysics Data System (ADS)
Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul
In this article, one and two-dimensional hydrodynamical models of semiconductor devices are numerically investigated. The models treat the propagation of electrons in a semiconductor device as the flow of a charged compressible fluid. It plays an important role in predicting the behavior of electron flow in semiconductor devices. Mathematically, the governing equations form a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the kinetic flux-vector splitting (KFVS) method for the hyperbolic step, and a semi-implicit Runge-Kutta method for the relaxation step. The KFVS method is based on the direct splitting of macroscopic flux functions of the system on the cell interfaces. The second order accuracy of the scheme is achieved by using MUSCL-type initial reconstruction and Runge-Kutta time stepping method. Several case studies are considered. For validation, the results of current scheme are compared with those obtained from the splitting scheme based on the NT central scheme. The effects of various parameters such as low field mobility, device length, lattice temperature and voltage are analyzed. The accuracy, efficiency and simplicity of the proposed KFVS scheme validates its generic applicability to the given model equations. A two dimensional simulation is also performed by KFVS method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.
Unified Approach To Control Of Motions Of Mobile Robots
NASA Technical Reports Server (NTRS)
Seraji, Homayoun
1995-01-01
Improved computationally efficient scheme developed for on-line coordinated control of both manipulation and mobility of robots that include manipulator arms mounted on mobile bases. Present scheme similar to one described in "Coordinated Control of Mobile Robotic Manipulators" (NPO-19109). Both schemes based on configuration-control formalism. Present one incorporates explicit distinction between holonomic and nonholonomic constraints. Several other prior articles in NASA Tech Briefs discussed aspects of configuration-control formalism. These include "Increasing the Dexterity of Redundant Robots" (NPO-17801), "Redundant Robot Can Avoid Obstacles" (NPO-17852), "Configuration-Control Scheme Copes with Singularities" (NPO-18556), "More Uses for Configuration Control of Robots" (NPO-18607/NPO-18608).
Controlled quantum perfect teleportation of multiple arbitrary multi-qubit states
NASA Astrophysics Data System (ADS)
Shi, Runhua; Huang, Liusheng; Yang, Wei; Zhong, Hong
2011-12-01
We present an efficient controlled quantum perfect teleportation scheme. In our scheme, multiple senders can teleport multiple arbitrary unknown multi-qubit states to a single receiver via a previously shared entanglement state with the help of one or more controllers. Furthermore, our scheme has a very good performance in the measurement and operation complexity, since it only needs to perform Bell state and single-particle measurements and to apply Controlled-Not gate and other single-particle unitary operations. In addition, compared with traditional schemes, our scheme needs less qubits as the quantum resources and exchanges less classical information, and thus obtains higher communication efficiency.
Ghadiri, Elham; Zakeeruddin, Shaik M.; Hagfeldt, Anders; Grätzel, Michael; Moser, Jacques-E.
2016-01-01
Efficient dye-sensitized solar cells are based on highly diffusive mesoscopic layers that render these devices opaque and unsuitable for ultrafast transient absorption spectroscopy measurements in transmission mode. We developed a novel sub-200 femtosecond time-resolved diffuse reflectance spectroscopy scheme combined with potentiostatic control to study various solar cells in fully operational condition. We studied performance optimized devices based on liquid redox electrolytes and opaque TiO2 films, as well as other morphologies, such as TiO2 fibers and nanotubes. Charge injection from the Z907 dye in all TiO2 morphologies was observed to take place in the sub-200 fs time scale. The kinetics of electron-hole back recombination has features in the picosecond to nanosecond time scale. This observation is significantly different from what was reported in the literature where the electron-hole back recombination for transparent films of small particles is generally accepted to occur on a longer time scale of microseconds. The kinetics of the ultrafast electron injection remained unchanged for voltages between +500 mV and –690 mV, where the injection yield eventually drops steeply. The primary charge separation in Y123 organic dye based devices was clearly slower occurring in two picoseconds and no kinetic component on the shorter femtosecond time scale was recorded. PMID:27095505
Bruns, F J; Seddon, P; Saul, M; Zeidel, M L
1998-05-01
The costs of care for end-stage renal disease patients continue to rise because of increased numbers of patients. Efforts to contain these costs have focused on the development of capitated payment schemes, in which all costs for the care of these patients are covered in a single payment. To determine the effect of a capitated reimbursement scheme on care of dialysis patients (both hemodialysis [HD] and peritoneal dialysis [PD]), complete financial records (all reimbursements for inpatient and outpatient care, as well as physician collections) of dialysis patients at a single medical center over 1 year were analyzed. For the period from July 1994 to July 1995, annualized cost per dialysis patient-year averaged $63,340, or 9.8% higher than the corrected estimate from the U.S. Renal Data Service (USRDS; $57,660). The "most expensive" 25% of patients engendered 44 to 48% of the total costs, and inpatient costs accounted for 37 to 40% of total costs. Nearly half of the inpatient costs resulted from only two categories (room charges and inpatient dialysis), whereas other categories each made up a small fraction of the inpatient costs. PD patients were far less expensive to care for than HD patients, due to reduced hospital days and lower cost of outpatient dialysis. Care for a university-based dialysis population was only slightly more expensive than estimates predicted from the USRDS. These results validate the USRDS spending data and suggest that they can be used effectively for setting capitated rates. Efforts to control costs without sacrificing quality of care must center on reducing inpatient costs, particularly room charges and the cost of inpatient dialysis.
Christidis, G.E.; Blum, A.E.; Eberl, D.D.
2006-01-01
The influence of layer charge and charge distribution of dioctahedral smectites on the rheological and swelling properties of bentonites is examined. Layer charge and charge distribution were determined by XRD using the LayerCharge program [Christidis, G.E., Eberl, D.D., 2003. Determination of layer charge characteristics of smectites. Clays Clay Miner. 51, 644-655.]. The rheological properties were determined, after sodium exchange using the optimum amount of Na2CO3, from free swelling tests. Rheological properties were determined using 6.42% suspensions according to industrial practice. In smectites with layer charges of - 0.425 to - 0.470 per half formula unit (phfu), layer charge is inversely correlated with free swelling, viscosity, gel strength, yield strength and thixotropic behaviour. In these smectites, the rheological properties are directly associated with the proportion of low charge layers. By contrast, in low charge and high charge smectites there is no systematic relation between layer charge or the proportion of low charge layers and rheological properties. However, low charge smectites yield more viscous suspensions and swell more than high charge smectites. The rheological properties of bentonites also are affected by the proportion of tetrahedral charge (i.e. beidellitic charge), by the existence of fine-grained minerals having clay size, such as opal-CT and to a lesser degree by the ionic strength and the pH of the suspension. A new method for classification of smectites according to the layer charge based on the XRD characteristics of smecites is proposed, that also is consistent with variations in rheological properties. In this classification scheme the term smectites with intermediate layer charge is proposed. ?? 2006 Elsevier B.V. All rights reserved.
Azbel-Jackson, Lena; Heffernan, Claire; Gunn, George; Brownlie, Joe
2018-01-01
The article describes the influence of a disease control scheme (the Norfolk-Suffolk Bovine Viral Diarrhoea Disease (BVD) Eradication scheme) on farmers' bio-security attitudes and behaviours. In 2010, a survey of 100 cattle farmers (53 scheme members vs. 47 out of scheme farmers) was undertaken among cattle farmers residing in Norfolk and Suffolk counties in the UK. A cross-sectional independent measures design was employed. The main analytical tool was content analysis. The following variables at the farmer-level were explored: the specific BVD control measures adopted, livestock disease priorities, motivation for scheme membership, wider knowledge acquisition, biosecurity behaviours employed and training course attendance. The findings suggest that participation in the BVD scheme improved farmers' perception of the scheme benefits and participation in training courses. However, no association was found between the taking part in the BVD scheme and livestock disease priorities or motivation for scheme participation, or knowledge about BVD bio-security measures employed. Equally importantly, scheme membership did appear to influence the importance accorded specific bio-security measures. Yet such ranking did not appear to reflect the actual behaviours undertaken. As such, disease control efforts alone while necessary, are insufficient. Rather, to enhance farmer bio-security behaviours significant effort must be made to address underlying attitudes to the specific disease threat involved.
Azbel-Jackson, Lena; Heffernan, Claire; Gunn, George; Brownlie, Joe
2018-01-01
The article describes the influence of a disease control scheme (the Norfolk-Suffolk Bovine Viral Diarrhoea Disease (BVD) Eradication scheme) on farmers' bio-security attitudes and behaviours. In 2010, a survey of 100 cattle farmers (53 scheme members vs. 47 out of scheme farmers) was undertaken among cattle farmers residing in Norfolk and Suffolk counties in the UK. A cross-sectional independent measures design was employed. The main analytical tool was content analysis. The following variables at the farmer-level were explored: the specific BVD control measures adopted, livestock disease priorities, motivation for scheme membership, wider knowledge acquisition, biosecurity behaviours employed and training course attendance. The findings suggest that participation in the BVD scheme improved farmers' perception of the scheme benefits and participation in training courses. However, no association was found between the taking part in the BVD scheme and livestock disease priorities or motivation for scheme participation, or knowledge about BVD bio-security measures employed. Equally importantly, scheme membership did appear to influence the importance accorded specific bio-security measures. Yet such ranking did not appear to reflect the actual behaviours undertaken. As such, disease control efforts alone while necessary, are insufficient. Rather, to enhance farmer bio-security behaviours significant effort must be made to address underlying attitudes to the specific disease threat involved. PMID:29432435
Network based management for multiplexed electric vehicle charging
Gadh, Rajit; Chung, Ching Yen; Qui, Li
2017-04-11
A system for multiplexing charging of electric vehicles, comprising a server coupled to a plurality of charging control modules over a network. Each of said charging modules being connected to a voltage source such that each charging control module is configured to regulate distribution of voltage from the voltage source to an electric vehicle coupled to the charging control module. Data collection and control software is provided on the server for identifying a plurality of electric vehicles coupled to the plurality of charging control modules and selectively distributing charging of the plurality of charging control modules to multiplex distribution of voltage to the plurality of electric vehicles.
Abnormal Multiple Charge Memory States in Exfoliated Few-Layer WSe2 Transistors.
Chen, Mikai; Wang, Yifan; Shepherd, Nathan; Huard, Chad; Zhou, Jiantao; Guo, L J; Lu, Wei; Liang, Xiaogan
2017-01-24
To construct reliable nanoelectronic devices based on emerging 2D layered semiconductors, we need to understand the charge-trapping processes in such devices. Additionally, the identified charge-trapping schemes in such layered materials could be further exploited to make multibit (or highly desirable analog-tunable) memory devices. Here, we present a study on the abnormal charge-trapping or memory characteristics of few-layer WSe 2 transistors. This work shows that multiple charge-trapping states with large extrema spacing, long retention time, and analog tunability can be excited in the transistors made from mechanically exfoliated few-layer WSe 2 flakes, whereas they cannot be generated in widely studied few-layer MoS 2 transistors. Such charge-trapping characteristics of WSe 2 transistors are attributed to the exfoliation-induced interlayer deformation on the cleaved surfaces of few-layer WSe 2 flakes, which can spontaneously form ambipolar charge-trapping sites. Our additional results from surface characterization, charge-retention characterization at different temperatures, and density functional theory computation strongly support this explanation. Furthermore, our research also demonstrates that the charge-trapping states excited in multiple transistors can be calibrated into consistent multibit data storage levels. This work advances the understanding of the charge memory mechanisms in layered semiconductors, and the observed charge-trapping states could be further studied for enabling ultralow-cost multibit analog memory devices.
NASA Astrophysics Data System (ADS)
Zhang, Zhan-Jun
2006-03-01
I present a scheme which allows an arbitrary 2-qubit quantum state teleportation between two remote parties with control of many agents in a network. Comparisons between the present scheme and the existing scheme proposed recently [F.G. Deng, et al., Phys. Rev. A 72 (2005) 022338] are made. It seems that the present scheme is much simpler and more economic. Then I generalize the scheme to teleport an arbitrary n-qubit quantum state between two remote parties with control of agents in a network.
NASA Astrophysics Data System (ADS)
Liu, Jiansheng; Wang, Wentao; Li, Wentao; Qi, Rong; Zhang, Zhijun; Yu, Changhai; Wang, Cheng; Liu, Jiaqi; Qing, Zhiyong; Ming, Fang; Xu, Yi; Leng, Yuxin; Li, Ruxin; Xu, Zhizhan
2017-05-01
One of the major goals of developing laser wakefiled accelerators (LWFAs) is to produce compact high-energy electron beam (e-beam) sources, which are expected to be applied in developing compact x-ray free-electron lasers and monoenergetic gamma-ray sources. Although LWFAs have been demonstrated to generate multi-GeV e-beams, to date they are still failed to produce high quality e beams with several essential properties (narrow energy spread, small transverse emittance and high beam charge) achieved simultaneously. Here we report on the demonstration of a high-quality cascaded LWFA experimentally via manipulating electron injection, seeding in different periods of the wakefield, as well as controlling energy chirp for the compression of energy spread. The cascaded LWFA was powered by a 1-Hz 200-TW femtosecond laser facility at SIOM. High-brightness e beams with peak energies in the range of 200-600 MeV, 0.4-1.2% rms energy spread, 10-80 pC charge, and 0.2 mrad rms divergence are experimentally obtained. Unprecedentedly high 6-dimensional (6-D) brightness B6D,n in units of A/m2/0.1% was estimated at the level of 1015-16, which is very close to the typical brightness of e beams from state-of-the-art linac drivers and several-fold higher than those of previously reported LWFAs. Furthermore, we propose a scheme to minimize the energy spread of an e beam in a cascaded LWFA to the one-thousandth-level by inserting a stage to compress its longitudinal spatial distribution via velocity bunching. In this scheme, three-segment plasma stages are designed for electron injection, e-beam length compression, and e-beam acceleration, respectively. A one-dimensional theory and two-dimensional particle-in-cell simulations have demonstrated this scheme and an e beam with 0.2% rms energy spread and low transverse emittance could be generated without loss of charge. Based on the high-quality e beams generated in the LWFA, we have experimentally realized a new scheme to enhance the betatron radiation via manipulating the e-beam transverse oscillation in the wakefield. Very brilliant quasi-monochromatic betatron x-rays in tens of keV with significant enhancement both in photon yield and peak energy have been generated. Besides, by employing a self-synchronized all-optical Compton scattering scheme, in which the electron beam collided with the intense driving laser pulse via the reflection of a plasma mirror, we produced tunable quasi-monochromatic MeV γ-rays ( 33% full-width at half-maximum) with a peak brilliance of 3.1×1022 photons s-1 mm-2 mrad-2 0.1% BW at 1 MeV, which is one order of magnitude higher than ever reported value in MeV regime to the best of our knowledge. 1. J. S. Liu, et al., Phys. Rev. Lett. 107, 035001 (2011). 2. X. Wang, et al., Nat. Commun. 4, 1988 (2013). 3. W. P. Leemans, et al., Phys. Rev. Lett. 113, 245002 (2014) 4. W. T. Wang et al., Phys. Rev. Lett. 117, 124801 (2016). 5. Z. J. Zhang et al., Phys. Plasmas 23, 053106 (2016). 6. C. H. Yu et al., Sci. Rep. 6, 29518 (2016).
Hu, Lingling; He, Huanjunwa; Xia, Dehua; Huang, Yajing; Xu, Jiarong; Li, Haoyue; He, Chun; Yang, Wenjing; Shu, Dong; Wong, Po Keung
2018-06-06
A self-stabilized Z-scheme porous g-C 3 N 4 /I 3- -containing BiOI ultrathin nanosheets (g-C 3 N 4 /I 3- -BiOI) heterojunction photocatalyst with I 3 - /I - redox mediator was successfully synthesized by a facile solvothermal method coupling with light illumination. The structure and optical properties of g-C 3 N 4 /I 3- -BiOI composites were systematically characterized by means of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared, X-ray photoelectron spectroscopy, N 2 adsorption/desorption, UV-vis diffuse reflectance spectrum, and photoluminescence. The g-C 3 N 4 /I 3- -BiOI composites, with a heterojunction between porous g-C 3 N 4 and BiOI ultrathin nanosheets, were first applied for the photocatalytic elimination of ppm-leveled CH 3 SH under light-emitting diode visible light illumination. The g-C 3 N 4 /I 3- -BiOI heterojunction with 10% g-C 3 N 4 showed a dramatically enhanced photocatalytic activity in the removal of CH 3 SH compared with pure BiOI and g-C 3 N 4 due to its effective interfacial charge transfer and separation. The adsorption and photocatalytic oxidation of CH 3 SH over g-C 3 N 4 /I 3- -BiOI were deeply explored by in situ diffuse reflectance infrared Fourier transform spectroscopy, and the intermediates and conversion pathways were elucidated and compared. Furthermore, on the basis of reactive species trapping, electron spin resonance and Mott-Schottky experiments, it was revealed that the responsible reactive species for catalytic CH 3 SH composition were h + , • O 2 - , and 1 O 2 ; thus, the g-C 3 N 4 /I 3- -BiOI heterojunction followed an indirect all-solid state Z-scheme charge-transfer mode with self-stabilized I 3 - /I - pairs as redox mediator, which could accelerate the separation of photogenerated charge and enhance the redox reaction power of charged carriers simultaneously.
Defining reactive sites on hydrated mineral surfaces: Rhombohedral carbonate minerals
NASA Astrophysics Data System (ADS)
Villegas-Jiménez, Adrián; Mucci, Alfonso; Pokrovsky, Oleg S.; Schott, Jacques
2009-08-01
Despite the success of surface complexation models (SCMs) to interpret the adsorptive properties of mineral surfaces, their construct is sometimes incompatible with fundamental chemical and/or physical constraints, and thus, casts doubts on the physical-chemical significance of the derived model parameters. In this paper, we address the definition of primary surface sites (i.e., adsorption units) at hydrated carbonate mineral surfaces and discuss its implications to the formulation and calibration of surface equilibria for these minerals. Given the abundance of experimental and theoretical information on the structural properties of the hydrated (10.4) cleavage calcite surface, this mineral was chosen for a detailed theoretical analysis of critical issues relevant to the definition of primary surface sites. Accordingly, a single, generic charge-neutral surface site ( tbnd CaCO 3·H 2O 0) is defined for this mineral whereupon mass-action expressions describing adsorption equilibria were formulated. The one-site scheme, analogous to previously postulated descriptions of metal oxide surfaces, allows for a simple, yet realistic, molecular representation of surface reactions and provides a generalized reference state suitable for the calculation of sorption equilibria for rhombohedral carbonate minerals via Law of Mass Action (LMA) and Gibbs Energy Minimization (GEM) approaches. The one-site scheme is extended to other rhombohedral carbonate minerals and tested against published experimental data for magnesite and dolomite in aqueous solutions. A simplified SCM based on this scheme can successfully reproduce surface charge, reasonably simulate the electrokinetic behavior of these minerals, and predict surface speciation agreeing with available spectroscopic data. According to this model, a truly amphoteric behavior is displayed by these surfaces across the pH scale but at circum-neutral pH (5.8-8.2) and relatively high ΣCO 2 (⩾1 mM), proton/bicarbonate co-adsorption becomes important and leads to the formation of a charge-neutral H 2CO 3-like surface species which may largely account for the surface charge-buffering behavior and the relatively wide range of pH values of isoelectric points (pH iep) reported in the literature for these minerals.
A comparison of two multi-variable integrator windup protection schemes
NASA Technical Reports Server (NTRS)
Mattern, Duane
1993-01-01
Two methods are examined for limit and integrator wind-up protection for multi-input, multi-output linear controllers subject to actuator constraints. The methods begin with an existing linear controller that satisfies the specifications for the nominal, small perturbation, linear model of the plant. The controllers are formulated to include an additional contribution to the state derivative calculations. The first method to be examined is the multi-variable version of the single-input, single-output, high gain, Conventional Anti-Windup (CAW) scheme. Except for the actuator limits, the CAW scheme is linear. The second scheme to be examined, denoted the Modified Anti-Windup (MAW) scheme, uses a scalar to modify the magnitude of the controller output vector while maintaining the vector direction. The calculation of the scalar modifier is a nonlinear function of the controller outputs and the actuator limits. In both cases the constrained actuator is tracked. These two integrator windup protection methods are demonstrated on a turbofan engine control system with five measurements, four control variables, and four actuators. The closed-loop responses of the two schemes are compared and contrasted during limit operation. The issue of maintaining the direction of the controller output vector using the Modified Anti-Windup scheme is discussed and the advantages and disadvantages of both of the IWP methods are presented.
Khelashvili, George; Weinstein, Harel; Harries, Daniel
2008-01-01
As charged macromolecules adsorb and diffuse on cell membranes in a large variety of cell signaling processes, they can attract or repel oppositely charged lipids. This results in lateral membrane rearrangement and affects the dynamics of protein function. To address such processes quantitatively we introduce a dynamic mean-field scheme that allows self-consistent calculations of the equilibrium state of membrane-protein complexes after such lateral reorganization of the membrane components, and serves to probe kinetic details of the process. Applicable to membranes with heterogeneous compositions containing several types of lipids, this comprehensive method accounts for mobile salt ions and charged macromolecules in three dimensions, as well as for lateral demixing of charged and net-neutral lipids in the membrane plane. In our model, the mobility of membrane components is governed by the diffusion-like Cahn-Hilliard equation, while the local electrochemical potential is based on nonlinear Poisson-Boltzmann theory. We illustrate the method by applying it to the adsorption of the anionic polypeptide poly-Lysine on negatively charged lipid membranes composed of binary mixtures of neutral and monovalent lipids, or onto ternary mixtures of neutral, monovalent, and multivalent lipids. Consistent with previous calculations and experiments, our results show that at steady-state multivalent lipids (such as PIP2), but not monovalent lipid (such as phosphatidylserine), will segregate near the adsorbing macromolecules. To address the corresponding diffusion of the adsorbing protein in the membrane plane, we couple lipid mobility with the propagation of the adsorbing protein through a dynamic Monte Carlo scheme. We find that due to their higher mobility dictated by the electrochemical potential, multivalent lipids such as PIP2 more quickly segregate near oppositely charged proteins than do monovalent lipids, even though their diffusion constants may be similar. The segregation, in turn, slows protein diffusion, as lipids introduce an effective drag on the motion of the adsorbate. In contrast, monovalent lipids such as phosphatidylserine only weakly segregate, and the diffusions of protein and lipid remain largely uncorrelated. PMID:18065451
Third-order 2N-storage Runge-Kutta schemes with error control
NASA Technical Reports Server (NTRS)
Carpenter, Mark H.; Kennedy, Christopher A.
1994-01-01
A family of four-stage third-order explicit Runge-Kutta schemes is derived that requires only two storage locations and has desirable stability characteristics. Error control is achieved by embedding a second-order scheme within the four-stage procedure. Certain schemes are identified that are as efficient and accurate as conventional embedded schemes of comparable order and require fewer storage locations.
31 CFR 592.301 - Controlled through the Kimberley Process Certification Scheme.
Code of Federal Regulations, 2011 CFR
2011-07-01
... Process Certification Scheme. 592.301 Section 592.301 Money and Finance: Treasury Regulations Relating to... Certification Scheme. (a) Except as otherwise provided in paragraph (b) of this section, the term controlled through the Kimberley Process Certification Scheme refers to the following requirements that apply, as...
31 CFR 592.301 - Controlled through the Kimberley Process Certification Scheme.
Code of Federal Regulations, 2013 CFR
2013-07-01
... Process Certification Scheme. 592.301 Section 592.301 Money and Finance: Treasury Regulations Relating to... Certification Scheme. (a) Except as otherwise provided in paragraph (b) of this section, the term controlled through the Kimberley Process Certification Scheme refers to the following requirements that apply, as...
31 CFR 592.301 - Controlled through the Kimberley Process Certification Scheme.
Code of Federal Regulations, 2014 CFR
2014-07-01
... Process Certification Scheme. 592.301 Section 592.301 Money and Finance: Treasury Regulations Relating to... Certification Scheme. (a) Except as otherwise provided in paragraph (b) of this section, the term controlled through the Kimberley Process Certification Scheme refers to the following requirements that apply, as...
31 CFR 592.301 - Controlled through the Kimberley Process Certification Scheme.
Code of Federal Regulations, 2010 CFR
2010-07-01
... Process Certification Scheme. 592.301 Section 592.301 Money and Finance: Treasury Regulations Relating to... Certification Scheme. (a) Except as otherwise provided in paragraph (b) of this section, the term controlled through the Kimberley Process Certification Scheme refers to the following requirements that apply, as...
31 CFR 592.301 - Controlled through the Kimberley Process Certification Scheme.
Code of Federal Regulations, 2012 CFR
2012-07-01
... Process Certification Scheme. 592.301 Section 592.301 Money and Finance: Treasury Regulations Relating to... Certification Scheme. (a) Except as otherwise provided in paragraph (b) of this section, the term controlled through the Kimberley Process Certification Scheme refers to the following requirements that apply, as...
NASA Astrophysics Data System (ADS)
Carnevale, V.; Raugei, S.
2009-12-01
Lysine acetylation is a post-translational modification, which modulates the affinity of protein-protein and/or protein-DNA complexes. Its crucial role as a switch in signaling pathways highlights the relevance of charged chemical groups in determining the interactions between water and biomolecules. A great effort has been recently devoted to assess the reliability of classical molecular dynamics simulations in describing the solvation properties of charged moieties. In the spirit of these investigations, we performed classical and Car-Parrinello molecular dynamics simulations on lysine and acetylated-lysine in aqueous solution. A comparative analysis between the two computational schemes is presented with a focus on the first solvation shell of the charged groups. An accurate structural analysis unveils subtle, yet statistically significant, differences which are discussed in connection to the significant electronic density charge transfer occurring between the solute and the surrounding water molecules.
NASA Astrophysics Data System (ADS)
Martin-Bragado, I.; Castrillo, P.; Jaraiz, M.; Pinacho, R.; Rubio, J. E.; Barbolla, J.; Moroz, V.
2005-09-01
Atomistic process simulation is expected to play an important role for the development of next generations of integrated circuits. This work describes an approach for modeling electric charge effects in a three-dimensional atomistic kinetic Monte Carlo process simulator. The proposed model has been applied to the diffusion of electrically active boron and arsenic atoms in silicon. Several key aspects of the underlying physical mechanisms are discussed: (i) the use of the local Debye length to smooth out the atomistic point-charge distribution, (ii) algorithms to correctly update the charge state in a physically accurate and computationally efficient way, and (iii) an efficient implementation of the drift of charged particles in an electric field. High-concentration effects such as band-gap narrowing and degenerate statistics are also taken into account. The efficiency, accuracy, and relevance of the model are discussed.
NASA Astrophysics Data System (ADS)
Steiger, J.; Beck, B. R.; Gruber, L.; Church, D. A.; Holder, J. P.; Schneider, D.
1999-01-01
Storage rings and Penning traps are being used to study ions in their highest charge states. Both devices must have the capability for ion cooling in order to perform high precision measurements such as mass spectrometry and laser spectroscopy. This is accomplished in storage rings in a merged beam arrangement where a cold electron beam moves at the speed of the ions. In RETRAP, a Penning trap located at Lawrence Livermore National Laboratory, a sympathetic laser/ion cooling scheme has been implemented. In a first step, singly charged beryllium ions are cooled electronically by a tuned circuit and optically by a laser. Then hot, highly charged ions are merged into the cold Be plasma. By collisions, their kinetic energy is reduced to the temperature of the Be plasma. First experiments indicate that the highly charged ions form a strongly coupled plasma with a Coulomb coupling parameter exceeding 1000.
Wang, Kai; Zhang, Gaoke; Li, Jun; Li, Yuan; Wu, Xiaoyong
2017-12-20
Constructing 0D/2D Z-scheme photocatalysts is a great promising path to improve photocatalytic activity by efficiently enhancing charge separation. Herein, we fabricated a visible-light-responsive Bi 3 TaO 7 quantum dots (QDs)/g-C 3 N 4 nanosheets (NSs) 0D/2D Z-scheme composite via a facile ultrasound method, and Bi 3 TaO 7 QDs could be interspersed on the surface of g-C 3 N 4 NSs uniformly. Furthermore, the strong interaction between Bi 3 TaO 7 QDs and g-C 3 N 4 NSs disturbed the CN heterocycles by forming C═O bonds between C atoms of the N-(C) 3 group and O atoms of the Ta-O bond. The optimum composite with 20 wt % g-C 3 N 4 NSs showed the superior photocatalytic activity for degradation of ciprofloxacin (CIP) over the composites prepared by mechanical mixing and solid-state methods, the photocatalytic efficiency of which were 4 and 12.2 times higher than those of bare Bi 3 TaO 7 and g-C 3 N 4 . Photoluminescence (PL), time-resolved transient PL decay spectra, and photocurrent together verify that the photogenerated hole-electron pairs in this 0D/2D Z-scheme composite have been effectively separated. The enhanced photocatalytic activity of as-synthesized photocatalysts could be attributed to the synergistic effect of efficient Z-scheme charge separation, highly dispersed 0D Bi 3 TaO 7 nanocrystals, coordinating sites of 2D g-C 3 N 4 NSs and the strong coupling between them. This study might pave the way toward designing novel visible-light-induced 0D/2D photocatalyst systems for highly efficient degradation of antibiotics.
Tamayao, Mili-Ann M; Michalek, Jeremy J; Hendrickson, Chris; Azevedo, Inês M L
2015-07-21
We characterize regionally specific life cycle CO2 emissions per mile traveled for plug-in hybrid electric vehicles (PHEVs) and battery electric vehicles (BEVs) across the United States under alternative assumptions for regional electricity emission factors, regional boundaries, and charging schemes. We find that estimates based on marginal vs average grid emission factors differ by as much as 50% (using National Electricity Reliability Commission (NERC) regional boundaries). Use of state boundaries versus NERC region boundaries results in estimates that differ by as much as 120% for the same location (using average emission factors). We argue that consumption-based marginal emission factors are conceptually appropriate for evaluating the emissions implications of policies that increase electric vehicle sales or use in a region. We also examine generation-based marginal emission factors to assess robustness. Using these two estimates of NERC region marginal emission factors, we find the following: (1) delayed charging (i.e., starting at midnight) leads to higher emissions in most cases due largely to increased coal in the marginal generation mix at night; (2) the Chevrolet Volt has higher expected life cycle emissions than the Toyota Prius hybrid electric vehicle (the most efficient U.S. gasoline vehicle) across the U.S. in nearly all scenarios; (3) the Nissan Leaf BEV has lower life cycle emissions than the Prius in the western U.S. and in Texas, but the Prius has lower emissions in the northern Midwest regardless of assumed charging scheme and marginal emissions estimation method; (4) in other regions the lowest emitting vehicle depends on charge timing and emission factor estimation assumptions.
Federal Register 2010, 2011, 2012, 2013, 2014
2013-04-09
...: Allocation of State Land Regional Incentive Scheme: Interest Support OIZ: Waste Water Charges [[Page 21109... customs purposes, the written description of the merchandise is dispositive. Methodology The Department... regarding specificity. For a full description of the methodology underlying our conclusions, please see...
Production of Ar{sup q+} ions with a tandem linear Paul trap
DOE Office of Scientific and Technical Information (OSTI.GOV)
Higaki, H., E-mail: hhigaki@hiroshima-u.ac.jp; Nagayasu, K.; Iwai, T.
A tandem linear Paul trap was used to create highly charged Argon ions by electron impact ionizations. By improving the operation scheme, the production of Ar{sup 4+} ions was confirmed. Possible improvements for the future experiments with laser cooled Ca{sup +} ions are suggested.
THE IMPACT OF THE CONGESTION CHARGING SCHEME ON AIR QUALITY IN LONDON
The modeling studies predicted small changes in both emissions and ambient concentrations of NOx, NO2, and PM10 across London that could be related to the implementation of the CCS, although the effects within the CCZ were projected to be more pronounced than elsewhere. The...
Dual-stage periodic event-triggered output-feedback control for linear systems.
Ruan, Zhen; Chen, Wu-Hua; Lu, Xiaomei
2018-05-01
This paper proposes an event-triggered control framework, called dual-stage periodic event-triggered control (DSPETC), which unifies periodic event-triggered control (PETC) and switching event-triggered control (SETC). Specifically, two period parameters h 1 and h 2 are introduced to characterize the new event-triggering rule, where h 1 denotes the sampling period, while h 2 denotes the monitoring period. By choosing some specified values of h 2 , the proposed control scheme can reduce to PETC or SETC scheme. In the DSPETC framework, the controlled system is represented as a switched system model and its stability is analyzed via a switching-time-dependent Lyapunov functional. Both the cases with/without network-induced delays are investigated. Simulation and experimental results show that the DSPETC scheme is superior to the PETC scheme and the SETC scheme. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.
A novel high-speed CMOS circuit based on a gang of capacitors
NASA Astrophysics Data System (ADS)
Sharroush, Sherif M.
2017-08-01
There is no doubt that complementary metal-oxide semiconductor (CMOS) circuits with wide fan-in suffers from the relatively sluggish operation. In this paper, a circuit that contains a gang of capacitors sharing their charge with each other is proposed as an alternative to long N-channel MOS and P-channel MOS stacks. The proposed scheme is investigated quantitatively and verified by simulation using the 45-nm CMOS technology with VDD = 1 V. The time delay, area and power consumption of the proposed scheme are investigated and compared with the conventional static CMOS logic circuit. It is verified that the proposed scheme achieves 52% saving in the average propagation delay for eight inputs and that it has a smaller area compared to the conventional CMOS logic when the number of inputs exceeds three and a smaller power consumption for a number of inputs exceeding two. The impacts of process variations, component mismatches and technology scaling on the proposed scheme are also investigated.
Pbar Beam Stacking in the Recycler by Longitudinal Phase-space Coating
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bhat, C. M.
2013-08-06
Barrier rf buckets have brought about new challenges in longitudinal beam dynamics of charged particle beams in synchrotrons and at the same time led to many new remarkable prospects in beam handling. In this paper, I describe a novel beam stacking scheme for synchrotrons using barrier buckets without any emittance dilution to the beam. First I discuss the general principle of the method, called longitudinal phase-space coating. Multi-particle beam dynamics simulations of the scheme applied to the Recycler, convincingly validates the concepts and feasibility of the method. Then I demonstrate the technique experimentally in the Recycler and also use itmore » in operation. A spin-off of this scheme is its usefulness in mapping the incoherent synchrotron tune spectrum of the beam particles in barrier buckets and producing a clean hollow beam in longitudinal phase space. Both of which are described here in detail with illustrations. The beam stacking scheme presented here is the first of its kind.« less
Some implementational issues of convection schemes for finite volume formulations
NASA Technical Reports Server (NTRS)
Thakur, Siddharth; Shyy, Wei
1993-01-01
Two higher-order upwind schemes - second-order upwind and QUICK - are examined in terms of their interpretation, implementation as well as performance for a recirculating flow in a lid-driven cavity, in the context of a control volume formulation using the SIMPLE algorithm. The present formulation of these schemes is based on a unified framework wherein the first-order upwind scheme is chosen as the basis, with the remaining terms being assigned to the source term. The performance of these schemes is contrasted with the first-order upwind and second-order central difference schemes. Also addressed in this study is the issue of boundary treatment associated with these higher-order upwind schemes. Two different boundary treatments - one that uses a two-point scheme consistently within a given control volume at the boundary, and the other that maintains consistency of flux across the interior face between the adjacent control volumes - are formulated and evaluated.
Some implementational issues of convection schemes for finite-volume formulations
NASA Technical Reports Server (NTRS)
Thakur, Siddharth; Shyy, Wei
1993-01-01
Two higher-order upwind schemes - second-order upwind and QUICK - are examined in terms of their interpretation, implementations, as well as performance for a recirculating flow in a lid-driven cavity, in the context of a control-volume formulation using the SIMPLE algorithm. The present formulation of these schemes is based on a unified framework wherein the first-order upwind scheme is chosen as the basis, with the remaining terms being assigned to the source term. The performance of these schemes is contrasted with the first-order upwind and second-order central difference schemes. Also addressed in this study is the issue of boundary treatment associated with these higher-order upwind schemes. Two different boundary treatments - one that uses a two-point scheme consistently within a given control volume at the boundary, and the other that maintains consistency of flux across the interior face between the adjacent control volumes - are formulated and evaluated.
Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme
NASA Astrophysics Data System (ADS)
Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm
2018-03-01
The Green function plays an essential role in the Korringa-Kohn-Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). The pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. By using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.
Excitonic couplings between molecular crystal pairs by a multistate approximation
NASA Astrophysics Data System (ADS)
Aragó, Juan; Troisi, Alessandro
2015-04-01
In this paper, we present a diabatization scheme to compute the excitonic couplings between an arbitrary number of states in molecular pairs. The method is based on an algebraic procedure to find the diabatic states with a desired property as close as possible to that of some reference states. In common with other diabatization schemes, this method captures the physics of the important short-range contributions (exchange, overlap, and charge-transfer mediated terms) but it becomes particularly suitable in presence of more than two states of interest. The method is formulated to be usable with any level of electronic structure calculations and to diabatize different types of states by selecting different molecular properties. These features make the diabatization scheme presented here especially appropriate in the context of organic crystals, where several excitons localized on the same molecular pair may be found close in energy. In this paper, the method is validated on the tetracene crystal dimer, a well characterized case where the charge transfer (CT) states are closer in energy to the Frenkel excitons (FE). The test system was studied as a function of an external electric field (to explore the effect of changing the relative energy of the CT excited state) and as a function of different intermolecular distances (to probe the strength of the coupling between FE and CT states). Additionally, we illustrate how the approximation can be used to include the environment polarization effect.
Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, Xianglin; Wang, Yang; Eisenbach, Markus
The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less
Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme
Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...
2017-10-28
The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less
Case studies in configuration control for redundant robots
NASA Technical Reports Server (NTRS)
Seraji, H.; Lee, T.; Colbaugh, R.; Glass, K.
1989-01-01
A simple approach to configuration control of redundant robots is presented. The redundancy is utilized to control the robot configuration directly in task space, where the task will be performed. A number of task-related kinematic functions are defined and combined with the end-effector coordinates to form a set of configuration variables. An adaptive control scheme is then utilized to ensure that the configuration variables track the desired reference trajectories as closely as possible. Simulation results are presented to illustrate the control scheme. The scheme has also been implemented for direct online control of a PUMA industrial robot, and experimental results are presented. The simulation and experimental results validate the configuration control scheme for performing various realistic tasks.
A robust control scheme for flexible arms with friction in the joints
NASA Technical Reports Server (NTRS)
Rattan, Kuldip S.; Feliu, Vicente; Brown, H. Benjamin, Jr.
1988-01-01
A general control scheme to control flexible arms with friction in the joints is proposed in this paper. This scheme presents the advantage of being robust in the sense that it minimizes the effects of the Coulomb friction existing in the motor and the effects of changes in the dynamic friction coefficient. A justification of the robustness properties of the scheme is given in terms of the sensitivity analysis.
NASA Astrophysics Data System (ADS)
Weinkauf, Rainer; Lehrer, Florian
1998-12-01
Molecules consisting of a flexible tail and an aromatic chromophore are used as model systems to understand the situation of a single chromophore in a small peptide. Their S0-S1 resonant multiphoton ionization (REMPI) spectra show, that in neutral molecules the tail-chromophore interaction is weak and electronic excitation is localized at the chromophore. For molecules, where the ionization energy of the tail is considerable higher than that of the chromophore, by high resolution REMPI photoelectron spectroscopy we find the charge to be localized on the aromatic chromophore. This scheme also in suitable peptides allows local ionization at the aromatic chromophore. An estimate for various charge positions in peptide chains, however, shows, that for most of the amino acids electron hole positions in the nitrogen and oxygen "lone pair" orbitals of the peptide bond are nearly degenerate. REMPI photoelectron spectra of phenylethylamine, which as a model system contains such two degenerate charge positions, show small energetic shift of the ionization energy but strong geometry changes upon electron removal. This result is interpreted as direct ionization into a mixed charge delocalized state. Consequences for the charge transfer mechanism in peptides are discussed.
Assessment of the Electrification of the Road Transport Sector on Net System Emissions
NASA Astrophysics Data System (ADS)
Miller, James
As worldwide environmental consciousness grows, electric vehicles (EVs) are becoming more common and despite the incredible potential for emissions reduction, the net emissions of the power system supply side plus the transportation system are dependent on the generation matrix. Current EV charging patterns tend to correspond directly with the peak consumption hours and have the potential to increase demand sharply allowing for only a small penetration of Electric Vehicles. Using the National Household Travel Survey (NHTS) data a model is created for vehicle travel patterns using trip chaining. Charging schemes are modeled to include uncontrolled residential, uncontrolled residential/industrial charging, optimized charging and optimized charging with vehicle to grid discharging. A charging profile is then determined based upon the assumption that electric vehicles would directly replace a percentage of standard petroleum-fueled vehicles in a known system. Using the generation profile for the specified region, a unit commitment model is created to establish not only the generation dispatch, but also the net CO2 profile for variable EV penetrations and charging profiles. This model is then used to assess the impact of the electrification of the road transport sector on the system net emissions.
Reduced-Order Models for Load Management in the Power Grid
NASA Astrophysics Data System (ADS)
Alizadeh, Mahnoosh
In recent years, considerable research efforts have been directed towards designing control schemes that can leverage the inherent flexibility of electricity demand that is not tapped into in today's electricity markets. It is expected that these control schemes will be carried out by for-profit entities referred to as aggregators that operate at the edge of the power grid network. While the aggregator control problem is receiving much attention, more high-level questions of how these aggregators should plan their market participation, interact with the main grid and with each other, remain rather understudied. Answering these questions requires a large-scale model for the aggregate flexibility that can be harnessed from the a population of customers, particularly for residences and small businesses. The contribution of this thesis towards this goal is divided into three parts: In Chapter 3, a reduced-order model for a large population of heterogeneous appliances is provided by clustering load profiles that share similar degrees of freedom together. The use of such reduced-order model for system planning and optimal market decision making requires a foresighted approximation of the number of appliances that will join each cluster. Thus, Chapter 4 provides a systematic framework to generate such forecasts for the case of Electric Vehicles, based on real-world battery charging data. While these two chapters set aside the economic side that is naturally involved with participation in demand response programs and mainly focus on the control problem, Chapter 5 is dedicated to the study of optimal pricing mechanisms in order to recruit heterogeneous customers in a demand response program in which an aggregator can directly manage their appliances' load under their specified preferences. Prices are proportional to the wholesale market savings that can result from each recruitment event.
LISA technology development using the UF precision torsion pendulum
NASA Astrophysics Data System (ADS)
Apple, Stephen; Chilton, Andrew; Olatunde, Taiwo; Ciani, Giacomo; Mueller, Guido; Conklin, John
2015-04-01
LISA will directly observe low-frequency gravitational waves emitted by sources ranging from super-massive black hole mergers to compact galactic binaries. A laser interferometer will measure picometer changes in the distances between free falling test masses separated by millions of kilometers. A test mass and its associated sensing, actuation, charge control and caging subsystems are referred to as a gravitational reference sensor (GRS). The demanding acceleration noise requirement for the LISA GRS has motivated a rigorous testing campaign in Europe and a dedicated technology mission, LISA Pathfinder, scheduled for launch in the fall of 2015. At the University of Florida we are developing a nearly thermally noise limited torsion pendulum for testing GRS technology enhancements that may improve the performance and/or reduce the cost of the LISA GRS. This experimental facility is based on the design of a similar facility at the University of Trento, and consists of a vacuum enclosed torsion pendulum that suspends mock-ups of the LISA test masses, surrounded by electrode housings. Some of the technologies that will be demonstrated by this facility include a novel TM charge control scheme based on ultraviolet LEDs, an all-optical TM position and attitude sensor, and drift mode operation. This presentation will describe the design of the torsion pendulum facility, its current acceleration noise performance, and the status of the GRS technologies under development.
Implementation of a Cross-Layer Sensing Medium-Access Control Scheme.
Su, Yishan; Fu, Xiaomei; Han, Guangyao; Xu, Naishen; Jin, Zhigang
2017-04-10
In this paper, compressed sensing (CS) theory is utilized in a medium-access control (MAC) scheme for wireless sensor networks (WSNs). We propose a new, cross-layer compressed sensing medium-access control (CL CS-MAC) scheme, combining the physical layer and data link layer, where the wireless transmission in physical layer is considered as a compress process of requested packets in a data link layer according to compressed sensing (CS) theory. We first introduced using compressive complex requests to identify the exact active sensor nodes, which makes the scheme more efficient. Moreover, because the reconstruction process is executed in a complex field of a physical layer, where no bit and frame synchronizations are needed, the asynchronous and random requests scheme can be implemented without synchronization payload. We set up a testbed based on software-defined radio (SDR) to implement the proposed CL CS-MAC scheme practically and to demonstrate the validation. For large-scale WSNs, the simulation results show that the proposed CL CS-MAC scheme provides higher throughput and robustness than the carrier sense multiple access (CSMA) and compressed sensing medium-access control (CS-MAC) schemes.
NASA Astrophysics Data System (ADS)
Wei, Hai-Rui; Long, Gui Lu
2015-03-01
We propose two compact, economic, and scalable schemes for implementing optical controlled-phase-flip and controlled-controlled-phase-flip gates by using the input-output process of a single-sided cavity strongly coupled to a single nitrogen-vacancy-center defect in diamond. Additional photonic qubits, necessary for procedures based on the parity-check measurement or controlled-path and merging gates, are not employed in our schemes. In the controlled-path gate, the paths of the target photon are conditionally controlled by the control photon, and these two paths can be merged back into one by using a merging gate. Only one half-wave plate is employed in our scheme for the controlled-phase-flip gate. Compared with the conventional synthesis procedures for constructing a controlled-controlled-phase-flip gate, the cost of which is two controlled-path gates and two merging gates, or six controlled-not gates, our scheme is more compact and simpler. Our schemes could be performed with a high fidelity and high efficiency with current achievable experimental techniques.
A continually online-trained neural network controller for brushless DC motor drives
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rubaai, A.; Kotaru, R.; Kankam, M.D.
2000-04-01
In this paper, a high-performance controller with simultaneous online identification and control is designed for brushless dc motor drives. The dynamics of the motor/load are modeled online, and controlled using two different neural network based identification and control schemes, as the system is in operation. In the first scheme, an attempt is made to control the rotor angular speed, utilizing a single three-hidden-layer network. The second scheme attempts to control the stator currents, using a predetermined control law as a function of the estimated states. This schemes incorporates three multilayered feedforward neural networks that are online trained, using the Levenburg-Marquadtmore » training algorithm. The control of the direct and quadrature components of the stator current successfully tracked a wide variety of trajectories after relatively short online training periods. The control strategy adapts to the uncertainties of the motor/load dynamics and, in addition, learns their inherent nonlinearities. Simulation results illustrated that a neurocontroller used in conjunction with adaptive control schemes can result in a flexible control device which may be utilized in a wide range of environments.« less
NASA Astrophysics Data System (ADS)
Katsumata, Hisatoshi; Konishi, Keiji; Hara, Naoyuki
2018-04-01
The present paper proposes a scheme for controlling wave segments in excitable media. This scheme consists of two phases: in the first phase, a simple mathematical model for wave segments is derived using only the time series data of input and output signals for the media; in the second phase, the model derived in the first phase is used in an advanced control technique. We demonstrate with numerical simulations of the Oregonator model that this scheme performs better than a conventional control scheme.
Pattern manipulation via on-chip phase modulation between orbital angular momentum beams
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Huanlu; School of Engineering, University of Glasgow, Rankine Building, Oakfield Avenue, Glasgow G12 8LP; Strain, Michael J.
2015-08-03
An integrated approach to thermal modulation of relative phase between two optical vortices with opposite chirality has been demonstrated on a silicon-on-insulator substrate. The device consists of a silicon-integrated optical vortex emitter and a phase controlled 3 dB coupler. The relative phase between two optical vortices can be actively modulated on chip by applying a voltage on the integrated heater. The phase shift is shown to be linearly proportional to applied electrical power, and the rotation angle of the interference pattern is observed to be inversely proportional to topological charge. This scheme can be used in lab-on-chip, communications and sensing applications.more » It can be intentionally implemented with other modulation elements to achieve more complicated applications.« less
Change control microcomputer device for vehicle
DOE Office of Scientific and Technical Information (OSTI.GOV)
Morishita, M.; Kouge, S.
1986-08-19
A charge control microcomputer device for a vehicle is described which consists of: a clutch device for transmitting the rotary output of an engine; a charging generator driven by the clutch device; a battery charged by an output of the charging generator; a voltage regulator for controlling an output voltage of the charging generator to a predetermined value; an engine controlling microcomputer for receiving engine data, to control the engine; and a charge control microcomputer for processing the engine data from the engine controlling microcomputer and charge system data including terminal voltage data from the battery and generated voltage datamore » from the charging generator, to determine a reference voltage for the voltage regulator in accordance with the engine data and the charge system data, and for processing an engine rotation signal to generate and apply an operating instruction to the clutch device in accordance with the engine data and the charge system data, such that the charging generator is driven within a predetermined range of revolutions per minute at all times.« less
Distributed plug-and-play optimal generator and load control for power system frequency regulation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhao, Changhong; Mallada, Enrique; Low, Steven H.
A distributed control scheme, which can be implemented on generators and controllable loads in a plug-and-play manner, is proposed for power system frequency regulation. The proposed scheme is based on local measurements, local computation, and neighborhood information exchanges over a communication network with an arbitrary (but connected) topology. In the event of a sudden change in generation or load, the proposed scheme can restore the nominal frequency and the reference inter-area power flows, while minimizing the total cost of control for participating generators and loads. Power network stability under the proposed control is proved with a relatively realistic model whichmore » includes nonlinear power flow and a generic (potentially nonlinear or high-order) turbine-governor model, and further with first- and second-order turbine-governor models as special cases. Finally, in simulations, the proposed control scheme shows a comparable performance to the existing automatic generation control (AGC) when implemented only on the generator side, and demonstrates better dynamic characteristics than AGC when each scheme is implemented on both generators and controllable loads. Simulation results also show robustness of the proposed scheme to communication link failure.« less
Distributed plug-and-play optimal generator and load control for power system frequency regulation
Zhao, Changhong; Mallada, Enrique; Low, Steven H.; ...
2018-03-14
A distributed control scheme, which can be implemented on generators and controllable loads in a plug-and-play manner, is proposed for power system frequency regulation. The proposed scheme is based on local measurements, local computation, and neighborhood information exchanges over a communication network with an arbitrary (but connected) topology. In the event of a sudden change in generation or load, the proposed scheme can restore the nominal frequency and the reference inter-area power flows, while minimizing the total cost of control for participating generators and loads. Power network stability under the proposed control is proved with a relatively realistic model whichmore » includes nonlinear power flow and a generic (potentially nonlinear or high-order) turbine-governor model, and further with first- and second-order turbine-governor models as special cases. Finally, in simulations, the proposed control scheme shows a comparable performance to the existing automatic generation control (AGC) when implemented only on the generator side, and demonstrates better dynamic characteristics than AGC when each scheme is implemented on both generators and controllable loads. Simulation results also show robustness of the proposed scheme to communication link failure.« less
A rapid boundary integral equation technique for protein electrostatics
NASA Astrophysics Data System (ADS)
Grandison, Scott; Penfold, Robert; Vanden-Broeck, Jean-Marc
2007-06-01
A new boundary integral formulation is proposed for the solution of electrostatic field problems involving piecewise uniform dielectric continua. Direct Coulomb contributions to the total potential are treated exactly and Green's theorem is applied only to the residual reaction field generated by surface polarisation charge induced at dielectric boundaries. The implementation shows significantly improved numerical stability over alternative schemes involving the total field or its surface normal derivatives. Although strictly respecting the electrostatic boundary conditions, the partitioned scheme does introduce a jump artefact at the interface. Comparison against analytic results in canonical geometries, however, demonstrates that simple interpolation near the boundary is a cheap and effective way to circumvent this characteristic in typical applications. The new scheme is tested in a naive model to successfully predict the ground state orientation of biomolecular aggregates comprising the soybean storage protein, glycinin.
NASA Astrophysics Data System (ADS)
Zhou, Yuzhi; Wang, Han; Liu, Yu; Gao, Xingyu; Song, Haifeng
2018-03-01
The Kerker preconditioner, based on the dielectric function of homogeneous electron gas, is designed to accelerate the self-consistent field (SCF) iteration in the density functional theory calculations. However, a question still remains regarding its applicability to the inhomogeneous systems. We develop a modified Kerker preconditioning scheme which captures the long-range screening behavior of inhomogeneous systems and thus improves the SCF convergence. The effectiveness and efficiency is shown by the tests on long-z slabs of metals, insulators, and metal-insulator contacts. For situations without a priori knowledge of the system, we design the a posteriori indicator to monitor if the preconditioner has suppressed charge sloshing during the iterations. Based on the a posteriori indicator, we demonstrate two schemes of the self-adaptive configuration for the SCF iteration.
Numerical simulation of electrophoresis separation processes
NASA Technical Reports Server (NTRS)
Ganjoo, D. K.; Tezduyar, T. E.
1986-01-01
A new Petrov-Galerkin finite element formulation has been proposed for transient convection-diffusion problems. Most Petrov-Galerkin formulations take into account the spatial discretization, and the weighting functions so developed give satisfactory solutions for steady state problems. Though these schemes can be used for transient problems, there is scope for improvement. The schemes proposed here, which consider temporal as well as spatial discretization, provide improved solutions. Electrophoresis, which involves the motion of charged entities under the influence of an applied electric field, is governed by equations similiar to those encountered in fluid flow problems, i.e., transient convection-diffusion equations. Test problems are solved in electrophoresis and fluid flow. The results obtained are satisfactory. It is also expected that these schemes, suitably adapted, will improve the numerical solutions of the compressible Euler and the Navier-Stokes equations.
An adaptive Cartesian control scheme for manipulators
NASA Technical Reports Server (NTRS)
Seraji, H.
1987-01-01
A adaptive control scheme for direct control of manipulator end-effectors to achieve trajectory tracking in Cartesian space is developed. The control structure is obtained from linear multivariable theory and is composed of simple feedforward and feedback controllers and an auxiliary input. The direct adaptation laws are derived from model reference adaptive control theory and are not based on parameter estimation of the robot model. The utilization of feedforward control and the inclusion of auxiliary input are novel features of the present scheme and result in improved dynamic performance over existing adaptive control schemes. The adaptive controller does not require the complex mathematical model of the robot dynamics or any knowledge of the robot parameters or the payload, and is computationally fast for online implementation with high sampling rates.
An adaptive actuator failure compensation scheme for two linked 2WD mobile robots
NASA Astrophysics Data System (ADS)
Ma, Yajie; Al-Dujaili, Ayad; Cocquempot, Vincent; El Badaoui El Najjar, Maan
2017-01-01
This paper develops a new adaptive compensation control scheme for two linked mobile robots with actuator failurs. A configuration with two linked two-wheel drive (2WD) mobile robots is proposed, and the modelling of its kinematics and dynamics are given. An adaptive failure compensation scheme is developed to compensate actuator failures, consisting of a kinematic controller and a multi-design integration based dynamic controller. The kinematic controller is a virtual one, and based on which, multiple adaptive dynamic control signals are designed which covers all possible failure cases. By combing these dynamic control signals, the dynamic controller is designed, which ensures system stability and asymptotic tracking properties. Simulation results verify the effectiveness of the proposed adaptive failure compensation scheme.
Hubble Space Telescope NiH2 six battery test
NASA Technical Reports Server (NTRS)
Whitt, Thomas H.; Lanier, J. Roy
1991-01-01
The primary objectives of the test are: (1) to get a better understanding of the operating characteristics of the NiH2 batteries in the Hubble Space Telescope (HST) Electric Power Subsystem (EPS) by simulating every aspect of the expected operating environment; (2) to determine the optimum charge level and charge scheme for the NiH2 batteries in the HST EPS; (3) to predict the performance of the actual HST EPS; (4) to observe the aging characteristics of the batteries; and (5) to test different EPS anomalies before experiencing the anomalies on the actual HST.
NASA Astrophysics Data System (ADS)
Ye, Yu; Xiao, Jun; Wang, Hailong; Ye, Ziliang; Zhu, Hanyu; Zhao, Mervin; Wang, Yuan; Zhao, Jianhua; Yin, Xiaobo; Zhang, Xiang
2016-07-01
Electrically controlling the flow of charge carriers is the foundation of modern electronics. By accessing the extra spin degree of freedom (DOF) in electronics, spintronics allows for information processes such as magnetoresistive random-access memory. Recently, atomic membranes of transition metal dichalcogenides (TMDCs) were found to support unequal and distinguishable carrier distribution in different crystal momentum valleys. This valley polarization of carriers enables a new DOF for information processing. A variety of valleytronic devices such as valley filters and valves have been proposed, and optical valley excitation has been observed. However, to realize its potential in electronics it is necessary to electrically control the valley DOF, which has so far remained a significant challenge. Here, we experimentally demonstrate the electrical generation and control of valley polarization. This is achieved through spin injection via a diluted ferromagnetic semiconductor and measured through the helicity of the electroluminescence due to the spin-valley locking in TMDC monolayers. We also report a new scheme of electronic devices that combine both the spin and valley DOFs. Such direct electrical generation and control of valley carriers opens up new dimensions in utilizing both the spin and valley DOFs for next-generation electronics and computing.
Control of spin defects in wide-bandgap semiconductors for quantum technologies
Heremans, F. Joseph; Yale, Christopher G.; Awschalom, David D.
2016-05-24
Deep-level defects are usually considered undesirable in semiconductors as they typically interfere with the performance of present-day electronic and optoelectronic devices. However, the electronic spin states of certain atomic-scale defects have recently been shown to be promising quantum bits for quantum information processing as well as exquisite nanoscale sensors due to their local environmental sensitivity. In this review, we will discuss recent advances in quantum control protocols of several of these spin defects, the negatively charged nitrogen-vacancy (NV -) center in diamond and a variety of forms of the neutral divacancy (VV 0) complex in silicon carbide (SiC). These defectsmore » exhibit a spin-triplet ground state that can be controlled through a variety of techniques, several of which allow for room temperature operation. Microwave control has enabled sophisticated decoupling schemes to extend coherence times as well as nanoscale sensing of temperature along with magnetic and electric fields. On the other hand, photonic control of these spin states has provided initial steps toward integration into quantum networks, including entanglement, quantum state teleportation, and all-optical control. Electrical and mechanical control also suggest pathways to develop quantum transducers and quantum hybrid systems. In conclusion, the versatility of the control mechanisms demonstrated should facilitate the development of quantum technologies based on these spin defects.« less
Heffernan, Claire; Azbel-Jackson, Lena; Brownlie, Joe; Gunn, George
2016-01-01
The eradication of BVD in the UK is technically possible but appears to be socially untenable. The following study explored farmer attitudes to BVD control schemes in relation to advice networks and information sharing, shared aims and goals, motivation and benefits of membership, notions of BVD as a priority disease and attitudes toward regulation. Two concepts from the organisational management literature framed the study: citizenship behaviour where actions of individuals support the collective good (but are not explicitly recognised as such) and peer to peer monitoring (where individuals evaluate other's behaviour). Farmers from two BVD control schemes in the UK participated in the study: Orkney Livestock Association BVD Eradication Scheme and Norfolk and Suffolk Cattle Breeders Association BVD Eradication Scheme. In total 162 farmers participated in the research (109 in-scheme and 53 out of scheme). The findings revealed that group helping and information sharing among scheme members was low with a positive BVD status subject to social censure. Peer monitoring in the form of gossip with regard to the animal health status of other farms was high. Interestingly, farmers across both schemes supported greater regulation with regard to animal health, largely due to the mistrust of fellow farmers following voluntary disease control measures. While group cohesiveness varied across the two schemes, without continued financial inducements, longer-term sustainability is questionable.
Tuffner, Francis K [Richland, WA; Kintner-Meyer, Michael C. W. [Richland, WA; Hammerstrom, Donald J [West Richland, WA; Pratt, Richard M [Richland, WA
2012-05-22
Battery charging control methods, electric vehicle charging methods, battery charging apparatuses and rechargeable battery systems. According to one aspect, a battery charging control method includes accessing information regarding a presence of at least one of a surplus and a deficiency of electrical energy upon an electrical power distribution system at a plurality of different moments in time, and using the information, controlling an adjustment of an amount of the electrical energy provided from the electrical power distribution system to a rechargeable battery to charge the rechargeable battery.
Event-shape-engineering study of charge separation in heavy-ion collisions
NASA Astrophysics Data System (ADS)
Wen, Fufang; Bryon, Jacob; Wen, Liwen; Wang, Gang
2018-01-01
Recent measurements of charge-dependent azimuthal correlations in high-energy heavy-ion collisions have indicated charge-separation signals perpendicular to the reaction plane, and have been related to the chiral magnetic effect (CME). However, the correlation signal is contaminated with the background caused by the collective motion (flow) of the collision system, and an effective approach is needed to remove the flow background from the correlation. We present a method study with simplified Monte Carlo simulations and a multi-phase transport model, and develop a scheme to reveal the true CME signal via event-shape engineering with the flow vector of the particles of interest. Supported by a grant (DE-FG02-88ER40424) from U.S. Department of Energy, Office of Nuclear Physics
Inductive Measurement of Plasma Jet Electrical Conductivity
NASA Technical Reports Server (NTRS)
Turner, Matthew W.; Hawk, Clark W.; Litchford, Ron J.
2005-01-01
An inductive probing scheme, originally developed for shock tube studies, has been adapted to measure explosive plasma jet conductivities. In this method, the perturbation of an applied magnetic field by a plasma jet induces a voltage in a search coil, which, in turn, can be used to infer electrical conductivity through the inversion of a Fredholm integral equation of the first kind. A 1-inch diameter probe was designed and constructed, and calibration was accomplished by firing an aluminum slug through the probe using a light-gas gun. Exploratory laboratory experiments were carried out using plasma jets expelled from 15-gram high explosive shaped charges. Measured conductivities were in the range of 3 kS/m for unseeded octol charges and 20 kS/m for seeded octol charges containing 2% potassium carbonate by mass.
Li, Hao; Zhang, Gaofei; Ma, Rui; You, Zheng
2014-01-01
An effective multisource energy harvesting system is presented as power supply for wireless sensor nodes (WSNs). The advanced system contains not only an expandable power management module including control of the charging and discharging process of the lithium polymer battery but also an energy harvesting system using the maximum power point tracking (MPPT) circuit with analog driving scheme for the collection of both solar and vibration energy sources. Since the MPPT and the power management module are utilized, the system is able to effectively achieve a low power consumption. Furthermore, a super capacitor is integrated in the system so that current fluctuations of the lithium polymer battery during the charging and discharging processes can be properly reduced. In addition, through a simple analog switch circuit with low power consumption, the proposed system can successfully switch the power supply path according to the ambient energy sources and load power automatically. A practical WSNs platform shows that efficiency of the energy harvesting system can reach about 75-85% through the 24-hour environmental test, which confirms that the proposed system can be used as a long-term continuous power supply for WSNs.
Unified Electromagnetic-Electronic Design of Light Trapping Silicon Solar Cells
Boroumand, Javaneh; Das, Sonali; Vázquez-Guardado, Abraham; Franklin, Daniel; Chanda, Debashis
2016-01-01
A three-dimensional unified electromagnetic-electronic model is developed in conjunction with a light trapping scheme in order to predict and maximize combined electron-photon harvesting in ultrathin crystalline silicon solar cells. The comparison between a bare and light trapping cell shows significant enhancement in photon absorption and electron collection. The model further demonstrates that in order to achieve high energy conversion efficiency, charge separation must be optimized through control of the doping profile and surface passivation. Despite having a larger number of surface defect states caused by the surface patterning in light trapping cells, we show that the higher charge carrier generation and collection in this design compensates the absorption and recombination losses and ultimately results in an increase in energy conversion efficiency. The fundamental physics behind this specific design approach is validated through its application to a 3 μm thick functional light trapping solar cell which shows 192% efficiency enhancement with respect to the bare cell of same thickness. Such a unified design approach will pave the path towards achieving the well-known Shockley-Queisser (SQ) limit for c-Si in thin-film (<30 μm) geometries. PMID:27499446
Li, Hao; Zhang, Gaofei; Ma, Rui; You, Zheng
2014-01-01
An effective multisource energy harvesting system is presented as power supply for wireless sensor nodes (WSNs). The advanced system contains not only an expandable power management module including control of the charging and discharging process of the lithium polymer battery but also an energy harvesting system using the maximum power point tracking (MPPT) circuit with analog driving scheme for the collection of both solar and vibration energy sources. Since the MPPT and the power management module are utilized, the system is able to effectively achieve a low power consumption. Furthermore, a super capacitor is integrated in the system so that current fluctuations of the lithium polymer battery during the charging and discharging processes can be properly reduced. In addition, through a simple analog switch circuit with low power consumption, the proposed system can successfully switch the power supply path according to the ambient energy sources and load power automatically. A practical WSNs platform shows that efficiency of the energy harvesting system can reach about 75–85% through the 24-hour environmental test, which confirms that the proposed system can be used as a long-term continuous power supply for WSNs. PMID:25032233
Neural adaptive control for vibration suppression in composite fin-tip of aircraft.
Suresh, S; Kannan, N; Sundararajan, N; Saratchandran, P
2008-06-01
In this paper, we present a neural adaptive control scheme for active vibration suppression of a composite aircraft fin tip. The mathematical model of a composite aircraft fin tip is derived using the finite element approach. The finite element model is updated experimentally to reflect the natural frequencies and mode shapes very accurately. Piezo-electric actuators and sensors are placed at optimal locations such that the vibration suppression is a maximum. Model-reference direct adaptive neural network control scheme is proposed to force the vibration level within the minimum acceptable limit. In this scheme, Gaussian neural network with linear filters is used to approximate the inverse dynamics of the system and the parameters of the neural controller are estimated using Lyapunov based update law. In order to reduce the computational burden, which is critical for real-time applications, the number of hidden neurons is also estimated in the proposed scheme. The global asymptotic stability of the overall system is ensured using the principles of Lyapunov approach. Simulation studies are carried-out using sinusoidal force functions of varying frequency. Experimental results show that the proposed neural adaptive control scheme is capable of providing significant vibration suppression in the multiple bending modes of interest. The performance of the proposed scheme is better than the H(infinity) control scheme.
Adaptive control of a Stewart platform-based manipulator
NASA Technical Reports Server (NTRS)
Nguyen, Charles C.; Antrazi, Sami S.; Zhou, Zhen-Lei; Campbell, Charles E., Jr.
1993-01-01
A joint-space adaptive control scheme for controlling noncompliant motion of a Stewart platform-based manipulator (SPBM) was implemented in the Hardware Real-Time Emulator at Goddard Space Flight Center. The six-degrees of freedom SPBM uses two platforms and six linear actuators driven by dc motors. The adaptive control scheme is based on proportional-derivative controllers whose gains are adjusted by an adaptation law based on model reference adaptive control and Liapunov direct method. It is concluded that the adaptive control scheme provides superior tracking capability as compared to fixed-gain controllers.
NASA Astrophysics Data System (ADS)
Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen
2017-10-01
We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter-Gummel scheme to non-Boltzmann (e.g. Fermi-Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.
Universal block diagram based modeling and simulation schemes for fractional-order control systems.
Bai, Lu; Xue, Dingyü
2017-05-08
Universal block diagram based schemes are proposed for modeling and simulating the fractional-order control systems in this paper. A fractional operator block in Simulink is designed to evaluate the fractional-order derivative and integral. Based on the block, the fractional-order control systems with zero initial conditions can be modeled conveniently. For modeling the system with nonzero initial conditions, the auxiliary signal is constructed in the compensation scheme. Since the compensation scheme is very complicated, therefore the integrator chain scheme is further proposed to simplify the modeling procedures. The accuracy and effectiveness of the schemes are assessed in the examples, the computation results testify the block diagram scheme is efficient for all Caputo fractional-order ordinary differential equations (FODEs) of any complexity, including the implicit Caputo FODEs. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.
Decentralized digital adaptive control of robot motion
NASA Technical Reports Server (NTRS)
Tarokh, M.
1990-01-01
A decentralized model reference adaptive scheme is developed for digital control of robot manipulators. The adaptation laws are derived using hyperstability theory, which guarantees asymptotic trajectory tracking despite gross robot parameter variations. The control scheme has a decentralized structure in the sense that each local controller receives only its joint angle measurement to produce its joint torque. The independent joint controllers have simple structures and can be programmed using a very simple and computationally fast algorithm. As a result, the scheme is suitable for real-time motion control.
Atmospheric Electrical Modeling in Support of the NASA F-106 Storm Hazards Project
NASA Technical Reports Server (NTRS)
Helsdon, John H., Jr.
1988-01-01
A recently developed storm electrification model (SEM) is used to investigate the operating environment of the F-106 airplane during the NASA Storm Hazards Project. The model is 2-D, time dependent and uses a bulkwater microphysical parameterization scheme. Electric charges and fields are included, and the model is fully coupled dynamically, microphysically and electrically. One flight showed that a high electric field was developed at the aircraft's operating altitude (28 kft) and that a strong electric field would also be found below 20 kft; however, this low-altitude, high-field region was associated with the presence of small hail, posing a hazard to the aircraft. An operational procedure to increase the frequency of low-altitude lightning strikes was suggested. To further the understanding of lightning within the cloud environment, a parameterization of the lightning process was included in the SEM. It accounted for the initiation, propagation, termination, and charge redistribution associated with an intracloud discharge. Finally, a randomized lightning propagation scheme was developed, and the effects of cloud particles on the initiation of lightning investigated.
Battery state-of-charge estimation using approximate least squares
NASA Astrophysics Data System (ADS)
Unterrieder, C.; Zhang, C.; Lunglmayr, M.; Priewasser, R.; Marsili, S.; Huemer, M.
2015-03-01
In recent years, much effort has been spent to extend the runtime of battery-powered electronic applications. In order to improve the utilization of the available cell capacity, high precision estimation approaches for battery-specific parameters are needed. In this work, an approximate least squares estimation scheme is proposed for the estimation of the battery state-of-charge (SoC). The SoC is determined based on the prediction of the battery's electromotive force. The proposed approach allows for an improved re-initialization of the Coulomb counting (CC) based SoC estimation method. Experimental results for an implementation of the estimation scheme on a fuel gauge system on chip are illustrated. Implementation details and design guidelines are presented. The performance of the presented concept is evaluated for realistic operating conditions (temperature effects, aging, standby current, etc.). For the considered test case of a GSM/UMTS load current pattern of a mobile phone, the proposed method is able to re-initialize the CC-method with a high accuracy, while state-of-the-art methods fail to perform a re-initialization.
Fukuda, Ikuo
2013-11-07
The zero-multipole summation method has been developed to efficiently evaluate the electrostatic Coulombic interactions of a point charge system. This summation prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large amounts of energetic noise and significant artifacts. The resulting energy function is represented by a constant term plus a simple pairwise summation, using a damped or undamped Coulombic pair potential function along with a polynomial of the distance between each particle pair. Thus, the implementation is straightforward and enables facile applications to high-performance computations. Any higher-order multipole moment can be taken into account in the neutrality principle, and it only affects the degree and coefficients of the polynomial and the constant term. The lowest and second moments correspond respectively to the Wolf zero-charge scheme and the zero-dipole summation scheme, which was previously proposed. Relationships with other non-Ewald methods are discussed, to validate the current method in their contexts. Good numerical efficiencies were easily obtained in the evaluation of Madelung constants of sodium chloride and cesium chloride crystals.
Li, Xiaoxue; Xie, Keyu; Song, Long; Zhao, Mengjia; Zhang, Zhipan
2017-07-26
The effective separation of photogenerated electrons and holes in photocatalysts is a prerequisite for efficient photocatalytic water splitting. CuInS 2 (CIS) is a widely used light absorber that works properly in photovoltaics but only shows limited performance in solar-driven hydrogen evolution due to its intrinsically severe charge recombination. Here, we prepare hierarchical graphitic C 3 N 4 -supported CuInS 2 (denoted as GsC) by an in situ growth of CIS directly on exfoliated thin graphitic C 3 N 4 nanosheets (g-C 3 N 4 NS) and demonstrate efficient separation of photoinduced charge carriers in the GsC by forming the Z-scheme system for the first time in CIS-catalyzed water splitting. Under visible light illumination, the GsC features an enhanced hydrogen evolution rate up to 1290 μmol g -1 h -1 , which is 3.3 and 6.1 times higher than that of g-C 3 N 4 NS and bare-CIS, respectively, thus setting a new performance benchmark for CIS-based water-splitting photocatalysts.
Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems.
Zhu, You-Liang; Lu, Zhong-Yuan; Milano, Giuseppe; Shi, An-Chang; Sun, Zhao-Yan
2016-04-14
To achieve simulations on large spatial and temporal scales with high molecular chemical specificity, a hybrid particle-field method was proposed recently. This method is developed by combining molecular dynamics and self-consistent field theory (MD-SCF). The MD-SCF method has been validated by successfully predicting the experimentally observable properties of several systems. Here we propose an efficient scheme for the inclusion of electrostatic interactions in the MD-SCF framework. In this scheme, charged molecules are interacting with the external fields that are self-consistently determined from the charge densities. This method is validated by comparing the structural properties of polyelectrolytes in solution obtained from the MD-SCF and particle-based simulations. Moreover, taking PMMA-b-PEO and LiCF3SO3 as examples, the enhancement of immiscibility between the ion-dissolving block and the inert block by doping lithium salts into the copolymer is examined by using the MD-SCF method. By employing GPU-acceleration, the high performance of the MD-SCF method with explicit treatment of electrostatics facilitates the simulation study of many problems involving polyelectrolytes.
van Beukering, Pieter J H; Bartelings, Heleen; Linderhof, Vincent G M; Oosterhuis, Frans H
2009-11-01
Differential and variable rates (DVR) in waste collection charging give a price incentive to households to reduce their waste and increase recycling. International empirical evidence confirms the effectiveness of DVR schemes, with limited unwanted side effects. In the Netherlands, currently some 20% of the population is charged at DVR. This is less than in several other countries. Taking into account differences between types of households and dwellings, this study analyses various scenarios for extended use of DVR in the Netherlands. The analysis shows that further penetration of DVR is a cost-effective instrument for waste reduction and more recycling. Moreover, DVR can itself be seen as a necessary condition for the successful implementation of other economic instruments, such as waste taxes. It is therefore recommended to stimulate municipalities to adopt DVR schemes in the Netherlands, accompanied by the provision of adequate facilities for waste separation by households. Before introducing DVR in 'very strongly urbanized' municipalities (i.e. the 12 largest cities in the Netherlands) a pilot experiment in one of them might be useful to test the behavioral response in this category.
Optimal control of large space structures via generalized inverse matrix
NASA Technical Reports Server (NTRS)
Nguyen, Charles C.; Fang, Xiaowen
1987-01-01
Independent Modal Space Control (IMSC) is a control scheme that decouples the space structure into n independent second-order subsystems according to n controlled modes and controls each mode independently. It is well-known that the IMSC eliminates control and observation spillover caused when the conventional coupled modal control scheme is employed. The independent control of each mode requires that the number of actuators be equal to the number of modelled modes, which is very high for a faithful modeling of large space structures. A control scheme is proposed that allows one to use a reduced number of actuators to control all modeled modes suboptimally. In particular, the method of generalized inverse matrices is employed to implement the actuators such that the eigenvalues of the closed-loop system are as closed as possible to those specified by the optimal IMSC. Computer simulation of the proposed control scheme on a simply supported beam is given.
NASA Astrophysics Data System (ADS)
Ragan-Kelley, Benjamin
Space-charge limited flow is a topic of much interest and varied application. We extend existing understanding of space-charge limits by simulations, and develop new tools and techniques for doing these simulations along the way. The Child-Langmuir limit is a simple analytic solution for space-charge limited current density in a one-dimensional diode. It has been previously extended to two dimensions by numerical calculation in planar geometries. By considering an axisymmetric cylindrical system with axial emission from a circular cathode of finite radius r and outer drift tube R > r and gap length L, we further examine the space charge limit in two dimensions. We simulate a two-dimensional axisymmetric parallel plate diode of various aspect ratios (r/L), and develop a scaling law for the measured two-dimensional space-charge limit (2DSCL) relative to the Child-Langmuir limit as a function of the aspect ratio of the diode. These simulations are done with a large (100T) longitudinal magnetic field to restrict electron motion to 1D, with the two-dimensional particle-in-cell simulation code OOPIC. We find a scaling law that is a monotonically decreasing function of this aspect ratio, and the one-dimensional result is recovered in the limit as r >> L. The result is in good agreement with prior results in planar geometry, where the emission area is proportional to the cathode width. We find a weak contribution from the effects of the drift tube for current at the beam edge, and a strong contribution of high current-density "wings" at the outer-edge of the beam, with a very large relative contribution when the beam is narrow. Mechanisms for enhancing current beyond the Child-Langmuir limit remain a matter of great importance. We analyze the enhancement effects of upstream ion injection on the transmitted current in a one-dimensional parallel plate diode. Electrons are field-emitted at the cathode, and ions are injected at a controlled current from the anode. An analytic solution is derived for maximizing the electron current throughput in terms of the ion current. This analysis accounts for various energy regimes, from classical to fully relativistic. The analytical result is then confirmed by simulation of the diode in each energy regime. Field-limited emission is an approach for using Gauss's law to satisfy the space charge limit for emitting current in particle-in-cell simulations. We find that simple field-limited emission models make several assumptions, which introduce small, systematic errors in the system. We make a thorough analysis of each assumption, and ultimately develop and test a new emission scheme that accounts for each. The first correction we make is to allow for a non-zero surface field at the boundary. Since traditional field-emission schemes only aim to balance Gauss's law at the surface, a zero surface field is an assumed condition. But for many systems, this is not appropriate, so the addition of a target surface field is made. The next correction is to account for nonzero initial velocity, which, if neglected, results in a systematic underestimation of the current, due to assuming that all emitted charge will be weighted to the boundary, when in fact it will be weighted as a fraction strictly less than unity, depending on the distance across the initial cell the particle travels in its initial fractional timestep. A correction is made to the scheme, to use the actual particle weight to adjust the target emission. The final analyses involve geometric terms, analyzing the effects of cylindrical coordinates, and taking particular care to analyze the center of a cylindrical beam, as well as the outer edge of the beam, in Cartesian coordinates. We find that balancing Gauss's law at the edge of the beam is not the correct behavior, and that it is important to resolve the profile of the emitted current, in order to avoid systematic errors. A thorough analysis is done of the assumptions made in prior implementations, and corrections are introduced for cylindrical geometry, non-zero injection velocity, and non-zero surface field. Particular care is taken to determine special conditions for the outermost node, where we find that forcing a balance of Gauss's law would be incorrect. (Abstract shortened by UMI.)
Quantization of a U(1) gauged chiral boson in the Batalin-Fradkin-Vilkovisky scheme
NASA Astrophysics Data System (ADS)
Ghosh, Subir
1994-03-01
The scheme developed by Batalin, Fradkin, and Vilkovisky (BFV) to convert a second-class constrained system to a first-class one (having gauge invariance) is used in the Floreanini-Jackiw formulation of the chiral boson interacting with a U(1) gauge field. Explicit expressions of the BRST charge, the unitarizing Hamiltonian, and the BRST invariant effective action are provided and the full quantization is carried through. The spectra in both cases have been analyzed to show the presence of the proper chiral components explicitly. In the gauged model, Wess-Zumino terms in terms of the Batalin-Fradkin fields are identified.
Quantization of a U(1) gauged chiral boson in the Batalin-Fradkin-Vilkovisky scheme
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ghosh, S.
1994-03-15
The scheme developed by Batalin, Fradkin, and Vilkovisky (BFV) to convert a second-class constrained system to a first-class one (having gauge invariance) is used in the Floreanini-Jackiw formulation of the chiral boson interacting with a U(1) gauge field. Explicit expressions of the BRST charge, the unitarizing Hamiltonian, and the BRST invariant effective action are provided and the full quantization is carried through. The spectra in both cases have been analyzed to show the presence of the proper chiral components explicitly. In the gauged model, Wess-Zumino terms in terms of the Batalin-Fradkin fields are identified.
Photodetachment and Doppler laser cooling of anionic molecules
NASA Astrophysics Data System (ADS)
Gerber, Sebastian; Fesel, Julian; Doser, Michael; Comparat, Daniel
2018-02-01
We propose to extend laser-cooling techniques, so far only achieved for neutral molecules, to molecular anions. A detailed computational study is performed for {{{C}}}2- molecules stored in Penning traps using GPU based Monte Carlo simulations. Two cooling schemes—Doppler laser cooling and photodetachment cooling—are investigated. The sympathetic cooling of antiprotons is studied for the Doppler cooling scheme, where it is shown that cooling of antiprotons to subKelvin temperatures could becomes feasible, with impacts on the field of antimatter physics. The presented cooling schemes also have applications for the generation of cold, negatively charged particle sources and for the sympathetic cooling of other molecular anions.
Controlled n-Type Doping of Carbon Nanotube Transistors by an Organorhodium Dimer.
Geier, Michael L; Moudgil, Karttikay; Barlow, Stephen; Marder, Seth R; Hersam, Mark C
2016-07-13
Single-walled carbon nanotube (SWCNT) transistors are among the most developed nanoelectronic devices for high-performance computing applications. While p-type SWCNT transistors are easily achieved through adventitious adsorption of atmospheric oxygen, n-type SWCNT transistors require extrinsic doping schemes. Existing n-type doping strategies for SWCNT transistors suffer from one or more issues including environmental instability, limited carrier concentration modulation, undesirable threshold voltage control, and/or poor morphology. In particular, commonly employed benzyl viologen n-type doping layers possess large thicknesses, which preclude top-gate transistor designs that underlie high-density integrated circuit layouts. To overcome these limitations, we report here the controlled n-type doping of SWCNT thin-film transistors with a solution-processed pentamethylrhodocene dimer. The charge transport properties of organorhodium-treated SWCNT thin films show consistent n-type behavior when characterized in both Hall effect and thin-film transistor geometries. Due to the molecular-scale thickness of the organorhodium adlayer, large-area arrays of top-gated, n-type SWCNT transistors are fabricated with high yield. This work will thus facilitate ongoing efforts to realize high-density SWCNT integrated circuits.
Magic angle for barrier-controlled double quantum dots
NASA Astrophysics Data System (ADS)
Yang, Xu-Chen; Wang, Xin
2018-01-01
We show that the exchange interaction of a singlet-triplet spin qubit confined in double quantum dots, when being controlled by the barrier method, is insensitive to a charged impurity lying along certain directions away from the center of the double-dot system. These directions differ from the polar axis of the double dots by the magic angle, equaling arccos(1 /√{3 })≈54 .7∘ , a value previously found in atomic physics and nuclear magnetic resonance. This phenomenon can be understood from an expansion of the additional Coulomb interaction created by the impurity, but also relies on the fact that the exchange interaction solely depends on the tunnel coupling in the barrier-control scheme. Our results suggest that for a scaled-up qubit array, when all pairs of double dots rotate their respective polar axes from the same reference line by the magic angle, crosstalk between qubits can be eliminated, allowing clean single-qubit operations. While our model is a rather simplified version of actual experiments, our results suggest that it is possible to minimize unwanted couplings by judiciously designing the layout of the qubits.
Limperos, Anthony M; Schmierbach, Michael G; Kegerise, Andrew D; Dardis, Frank E
2011-06-01
Many studies have investigated how different technological features impact the experience of playing video games, yet few have focused on how control schemes may affect the play experience. This research employed a between-subjects design to explore the relationship between the type of console played (Nintendo Wii, Playstation 2) and feelings of flow and enjoyment during the game-play experience. Results indicated that participants reported greater feelings of control and enjoyment with a traditional control scheme (Playstation 2) than with the more technologically advanced control scheme (Nintendo Wii). Further mediation analysis showed that enjoyment was driven by the sense of control that participants experienced and not simply by whether they won the game. Theoretical and practical implications are discussed.
A fuzzy call admission control scheme in wireless networks
NASA Astrophysics Data System (ADS)
Ma, Yufeng; Gong, Shenguang; Hu, Xiulin; Zhang, Yunyu
2007-11-01
Scarcity of the spectrum resource and mobility of users make quality of service (QoS) provision a critical issue in wireless networks. This paper presents a fuzzy call admission control scheme to meet the requirement of the QoS. A performance measure is formed as a weighted linear function of new call and handoff call blocking probabilities. Simulation compares the proposed fuzzy scheme with an adaptive channel reservation scheme. Simulation results show that fuzzy scheme has a better robust performance in terms of average blocking criterion.
Reconfigurable logic via gate controlled domain wall trajectory in magnetic network structure
Murapaka, C.; Sethi, P.; Goolaup, S.; Lew, W. S.
2016-01-01
An all-magnetic logic scheme has the advantages of being non-volatile and energy efficient over the conventional transistor based logic devices. In this work, we present a reconfigurable magnetic logic device which is capable of performing all basic logic operations in a single device. The device exploits the deterministic trajectory of domain wall (DW) in ferromagnetic asymmetric branch structure for obtaining different output combinations. The programmability of the device is achieved by using a current-controlled magnetic gate, which generates a local Oersted field. The field generated at the magnetic gate influences the trajectory of the DW within the structure by exploiting its inherent transverse charge distribution. DW transformation from vortex to transverse configuration close to the output branch plays a pivotal role in governing the DW chirality and hence the output. By simply switching the current direction through the magnetic gate, two universal logic gate functionalities can be obtained in this device. Using magnetic force microscopy imaging and magnetoresistance measurements, all basic logic functionalities are demonstrated. PMID:26839036
Controlling the Properties of Matter with Quantum Dots
DOE Office of Scientific and Technical Information (OSTI.GOV)
Klimov, Victor
2017-03-22
Solar cells and photodetectors could soon be made from new types of materials based on semiconductor quantum dots, thanks to new insights based on ultrafast measurements capturing real-time photoconversion processes. Photoconversion is a process wherein the energy of a photon, or quantum of light, is converted into other forms of energy, for example, chemical or electrical. Semiconductor quantum dots are chemically synthesized crystalline nanoparticles that have been studied for more than three decades in the context of various photoconversion schemes including photovoltaics (generation of photo-electricity) and photo-catalysis (generation of “solar fuels”). The appeal of quantum dots comes from the unmatchedmore » tunability of their physical properties, which can be adjusted by controlling the size, shape and composition of the dots. At Los Alamos, the research connects to the institutional mission of solving national security challenges through scientific excellence, in this case focusing on novel physical principles for highly efficient photoconversion, charge manipulation in exploratory device structures and novel nanomaterials.« less
A novel robust speed controller scheme for PMBLDC motor.
Thirusakthimurugan, P; Dananjayan, P
2007-10-01
The design of speed and position controllers for permanent magnet brushless DC motor (PMBLDC) drive remains as an open problem in the field of motor drives. A precise speed control of PMBLDC motor is complex due to nonlinear coupling between winding currents and rotor speed. In addition, the nonlinearity present in the developed torque due to magnetic saturation of the rotor further complicates this issue. This paper presents a novel control scheme to the conventional PMBLDC motor drive, which aims at improving the robustness by complete decoupling of the design besides minimizing the mutual influence among the speed and current control loops. The interesting feature of this robust control scheme is its suitability for both static and dynamic aspects. The effectiveness of the proposed robust speed control scheme is verified through simulations.
A concatenated coding scheme for error control
NASA Technical Reports Server (NTRS)
Kasami, T.; Fujiwara, T.; Lin, S.
1986-01-01
In this paper, a concatenated coding scheme for error control in data communications is presented and analyzed. In this scheme, the inner code is used for both error correction and detection; however, the outer code is used only for error detection. A retransmission is requested if either the inner code decoder fails to make a successful decoding or the outer code decoder detects the presence of errors after the inner code decoding. Probability of undetected error (or decoding error) of the proposed scheme is derived. An efficient method for computing this probability is presented. Throughput efficiency of the proposed error control scheme incorporated with a selective-repeat ARQ retransmission strategy is also analyzed. Three specific examples are presented. One of the examples is proposed for error control in the NASA Telecommand System.
An adaptive control scheme for a flexible manipulator
NASA Technical Reports Server (NTRS)
Yang, T. C.; Yang, J. C. S.; Kudva, P.
1987-01-01
The problem of controlling a single link flexible manipulator is considered. A self-tuning adaptive control scheme is proposed which consists of a least squares on-line parameter identification of an equivalent linear model followed by a tuning of the gains of a pole placement controller using the parameter estimates. Since the initial parameter values for this model are assumed unknown, the use of arbitrarily chosen initial parameter estimates in the adaptive controller would result in undesirable transient effects. Hence, the initial stage control is carried out with a PID controller. Once the identified parameters have converged, control is transferred to the adaptive controller. Naturally, the relevant issues in this scheme are tests for parameter convergence and minimization of overshoots during control switch-over. To demonstrate the effectiveness of the proposed scheme, simulation results are presented with an analytical nonlinear dynamic model of a single link flexible manipulator.
Direct adaptive control of manipulators in Cartesian space
NASA Technical Reports Server (NTRS)
Seraji, H.
1987-01-01
A new adaptive-control scheme for direct control of manipulator end effector to achieve trajectory tracking in Cartesian space is developed in this article. The control structure is obtained from linear multivariable theory and is composed of simple feedforward and feedback controllers and an auxiliary input. The direct adaptation laws are derived from model reference adaptive control theory and are not based on parameter estimation of the robot model. The utilization of adaptive feedforward control and the inclusion of auxiliary input are novel features of the present scheme and result in improved dynamic performance over existing adaptive control schemes. The adaptive controller does not require the complex mathematical model of the robot dynamics or any knowledge of the robot parameters or the payload, and is computationally fast for on-line implementation with high sampling rates. The control scheme is applied to a two-link manipulator for illustration.
Near-field interaction between domain walls in adjacent permalloy nanowires
NASA Astrophysics Data System (ADS)
O'Brien, Liam
2010-03-01
A domain wall (DW) moving in a ferromagnetic nanowire may interact with the stray field from another DW travelling in an adjacent wire. This could greatly impact the operation of proposed DW based data storage schemes which rely on the controlled propagation of DWs in densely packed nanowires [1, 2]. Here we experimentally study the interaction between two DWs travelling in adjacent Permalloy nanowires [3]. We find that the interaction causes significant pinning, with measured pinning fields of up to 93 Oe (˜5 times the intrinsic pinning field of an isolated wire) for the smallest separations. We present an analysis of the observed pinning field dependence on wire separation in terms of the full magnetostatic charge distribution within a DW. By considering an isolated DW, and accounting for finite temperature, it is possible to fully reproduce the experimentally observed dependence. This suggests that the DW internal structure is not appreciably perturbed by the interaction and so remains rigid, consistent with a finite sized quasi-particle description [4]. The full charge distribution must be considered in understanding these near-field interactions as other models based on simpler descriptions of the charge distribution within the DW, including a point-like distribution, cannot reproduce the observed dependence. Finally, we develop the idea of using localized stray fields to pin a DW and show how specific potential landscapes can be created by tailoring a pinning charge distribution, with the added advantage that neither DW internal structure nor nanowire geometry is appreciably perturbed. [4pt] [1] Allwood, Cowburn et al. Science 309, 1688 (2005) [0pt] [2] S. S. Parkin, Science 320, 190 (2008) [0pt] [3] O'Brien, Cowburn et al. Phys. Rev. Lett. 103, 7, 077206 (2009) [0pt] [4] Saitoh, Miyajima et al. Nature 432, 203 (2004)
A new scheme of force reflecting control
NASA Technical Reports Server (NTRS)
Kim, Won S.
1992-01-01
A new scheme of force reflecting control has been developed that incorporates position-error-based force reflection and robot compliance control. The operator is provided with a kinesthetic force feedback which is proportional to the position error between the operator-commanded and the actual position of the robot arm. Robot compliance control, which increases the effective compliance of the robot, is implemented by low pass filtering the outputs of the force/torque sensor mounted on the base of robot hand and using these signals to alter the operator's position command. This position-error-based force reflection scheme combined with shared compliance control has been implemented successfully to the Advanced Teleoperation system consisting of dissimilar master-slave arms. Stability measurements have demonstrated unprecedentedly high force reflection gains of up to 2 or 3, even though the slave arm is much stiffer than operator's hand holding the force reflecting hand controller. Peg-in-hole experiments were performed with eight different operating modes to evaluate the new force-reflecting control scheme. Best task performance resulted with this new control scheme.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fang, Li; Xiong, Hui; Kukk, Edwin
Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up tomore » 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.« less
A general intermolecular force field based on tight-binding quantum chemical calculations
NASA Astrophysics Data System (ADS)
Grimme, Stefan; Bannwarth, Christoph; Caldeweyher, Eike; Pisarek, Jana; Hansen, Andreas
2017-10-01
A black-box type procedure is presented for the generation of a molecule-specific, intermolecular potential energy function. The method uses quantum chemical (QC) information from our recently published extended tight-binding semi-empirical scheme (GFN-xTB) and can treat non-covalently bound complexes and aggregates with almost arbitrary chemical structure. The necessary QC information consists of the equilibrium structure, Mulliken atomic charges, charge centers of localized molecular orbitals, and also of frontier orbitals and orbital energies. The molecular pair potential includes model density dependent Pauli repulsion, penetration, as well as point charge electrostatics, the newly developed D4 dispersion energy model, Drude oscillators for polarization, and a charge-transfer term. Only one element-specific and about 20 global empirical parameters are needed to cover systems with nuclear charges up to radon (Z = 86). The method is tested for standard small molecule interaction energy benchmark sets where it provides accurate intermolecular energies and equilibrium distances. Examples for structures with a few hundred atoms including charged systems demonstrate the versatility of the approach. The method is implemented in a stand-alone computer code which enables rigid-body, global minimum energy searches for molecular aggregation or alignment.
Coulomb Blockade and Multiple Andreev Reflection in a Superconducting Single-Electron Transistor
NASA Astrophysics Data System (ADS)
Lorenz, Thomas; Sprenger, Susanne; Scheer, Elke
2018-06-01
In superconducting quantum point contacts, multiple Andreev reflection (MAR), which describes the coherent transport of m quasiparticles each carrying an electron charge with m≥3, sets in at voltage thresholds eV = 2Δ /m. In single-electron transistors, Coulomb blockade, however, suppresses the current at low voltage. The required voltage for charge transport increases with the square of the effective charge eV∝ ( me) ^2. Thus, studying the charge transport in all-superconducting single-electron transistors (SSETs) sets these two phenomena into competition. In this article, we present the fabrication as well as a measurement scheme and transport data for a SSET with one junction in which the transmission and thereby the MAR contributions can be continuously tuned. All regimes from weak to strong coupling are addressed. We extend the Orthodox theory by incorporating MAR processes to describe the observed data qualitatively. We detect a new transport process the nature of which is unclear at present. Furthermore, we observe a renormalization of the charging energy when approaching the strong coupling regime.
Analysis of Static Spacecraft Floating Potential at Low Earth Orbit (LEO)
NASA Technical Reports Server (NTRS)
Herr, Joel L.; Hwang, K. S.; Wu, S. T.
1995-01-01
Spacecraft floating potential is the charge on the external surfaces of orbiting spacecraft relative to the space. Charging is caused by unequal negative and positive currents to spacecraft surfaces. The charging process continues until the accelerated particles can be collected rapidly enough to balance the currents at which point the spacecraft has reached its equilibrium or floating potential. In low inclination. Low Earth Orbit (LEO), the collection of positive ion and negative electrons. in a particular direction. are typically not equal. The level of charging required for equilibrium to be established is influenced by the characteristics of the ambient plasma environment. by the spacecraft motion, and by the geometry of the spacecraft. Using the kinetic theory, a statistical approach for studying the interaction is developed. The approach used to study the spacecraft floating potential depends on which phenomena are being applied. and on the properties of the plasma. especially the density and temperature. The results from kinetic theory derivation are applied to determine the charging level and the electric potential distribution at an infinite flat plate perpendicular to a streaming plasma using finite-difference scheme.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Madjet, Mohamed E., E-mail: mmadjet@qf.org.qa; El-Mellouhi, Fedwa; Carignano, Marcelo A.
We calculated the partial charges in methylammonium (MA) lead-iodide perovskite CH{sub 3}NH{sub 3}PbI{sub 3} in its different crystalline phases using different first-principles electronic charge partitioning approaches, including the Bader, ChelpG, and density-derived electrostatic and chemical (DDEC) schemes. Among the three charge partitioning methods, the DDEC approach provides chemically intuitive and reliable atomic charges for this material, which consists of a mixture of transition metals, halide ions, and organic molecules. The DDEC charges are also found to be robust against the use of hybrid functionals and/or upon inclusion of spin–orbit coupling or dispersive interactions. We calculated explicitly the atomic charges withmore » a special focus on the dipole moment of the MA molecules within the perovskite structure. The value of the dipole moment of the MA is reduced with respect to the isolated molecule due to charge redistribution involving the inorganic cage. DDEC charges and dipole moment of the organic part remain nearly unchanged upon its rotation within the octahedral cavities. Our findings will be of both fundamental and practical importance, as the accurate and consistent determination of the atomic charges is important in order to understand the average equilibrium distribution of the electrons and to help in the development of force fields for larger scale atomistic simulations to describe static, dynamic, and thermodynamic properties of the material.« less
Schemes for Hybrid Bidirectional Controlled Quantum Communication via Multi-qubit Entangled States
NASA Astrophysics Data System (ADS)
Ma, Peng-Cheng; Chen, Gui-Bin; Li, Xiao-Wei; Zhan, You-Bang
2018-02-01
We present two schemes for hybrid bidirectional controlled quantum communication (HBCQC) via six- and nine-qubit entangled states as the quantum channel, respectively. In these schemes, two distant parties, Alice and Bob are not only senders but also receivers, and Alice wants to teleport an unknown single-qubit state to Bob, at the same time, Bob wishes to help Alice remotely prepares an arbitrary single- and two- qubit state, respectively. It is shown that, only if the two senders and the controller collaborate with each other, the HBCQC can be completed successfully. We demonstrate, in our both schemes, the total success probability of the HBCQC can reach 1, that is, the schemes are deterministic.
Performance characteristics of an adaptive controller based on least-mean-square filters
NASA Technical Reports Server (NTRS)
Mehta, Rajiv S.; Merhav, Shmuel J.
1986-01-01
A closed loop, adaptive control scheme that uses a least mean square filter as the controller model is presented, along with simulation results that demonstrate the excellent robustness of this scheme. It is shown that the scheme adapts very well to unknown plants, even those that are marginally stable, responds appropriately to changes in plant parameters, and is not unduly affected by additive noise. A heuristic argument for the conditions necessary for convergence is presented. Potential applications and extensions of the scheme are also discussed.
An Orbit And Dispersion Correction Scheme for the PEP II
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cai, Y.; Donald, M.; Shoaee, H.
2011-09-01
To achieve optimum luminosity in a storage ring it is vital to control the residual vertical dispersion. In the original PEP storage ring, a scheme to control the residual dispersion function was implemented using the ring orbit as the controlling element. The 'best' orbit not necessarily giving the lowest vertical dispersion. A similar scheme has been implemented in both the on-line control code and in the simulation code LEGO. The method involves finding the response matrices (sensitivity of orbit/dispersion at each Beam-Position-Monitor (BPM) to each orbit corrector) and solving in a least squares sense for minimum orbit, dispersion function ormore » both. The optimum solution is usually a subset of the full least squares solution. A scheme of simultaneously correcting the orbits and dispersion has been implemented in the simulation code and on-line control system for PEP-II. The scheme is based on the eigenvector decomposition method. An important ingredient of the scheme is to choose the optimum eigenvectors that minimize the orbit, dispersion and corrector strength. Simulations indicate this to be a very effective way to control the vertical residual dispersion.« less
Scheme, Erik J; Englehart, Kevin B
2013-07-01
When controlling a powered upper limb prosthesis it is important not only to know how to move the device, but also when not to move. A novel approach to pattern recognition control, using a selective multiclass one-versus-one classification scheme has been shown to be capable of rejecting unintended motions. This method was shown to outperform other popular classification schemes when presented with muscle contractions that did not correspond to desired actions. In this work, a 3-D Fitts' Law test is proposed as a suitable alternative to using virtual limb environments for evaluating real-time myoelectric control performance. The test is used to compare the selective approach to a state-of-the-art linear discriminant analysis classification based scheme. The framework is shown to obey Fitts' Law for both control schemes, producing linear regression fittings with high coefficients of determination (R(2) > 0.936). Additional performance metrics focused on quality of control are discussed and incorporated in the evaluation. Using this framework the selective classification based scheme is shown to produce significantly higher efficiency and completion rates, and significantly lower overshoot and stopping distances, with no significant difference in throughput.
Bouzid, Assil; Pasquarello, Alfredo
2018-04-19
Based on constant Fermi-level molecular dynamics and a proper alignment scheme, we perform simulations of the Pt(111)/water interface under variable bias potential referenced to the standard hydrogen electrode (SHE). Our scheme yields a potential of zero charge μ pzc of ∼0.22 eV relative to the SHE and a double layer capacitance C dl of ≃19 μF cm -2 , in excellent agreement with experimental measurements. In addition, we study the structural reorganization of the electrical double layer for bias potentials ranging from -0.92 eV to +0.44 eV and find that O down configurations, which are dominant at potentials above the pzc, reorient to favor H down configurations as the measured potential becomes negative. Our modeling scheme allows one to not only access atomic-scale processes at metal/water interfaces, but also to quantitatively estimate macroscopic electrochemical quantities.
Lévy-Student distributions for halos in accelerator beams.
Cufaro Petroni, Nicola; De Martino, Salvatore; De Siena, Silvio; Illuminati, Fabrizio
2005-12-01
We describe the transverse beam distribution in particle accelerators within the controlled, stochastic dynamical scheme of stochastic mechanics (SM) which produces time reversal invariant diffusion processes. This leads to a linearized theory summarized in a Schrödinger-like (SL) equation. The space charge effects have been introduced in recent papers by coupling this S-L equation with the Maxwell equations. We analyze the space-charge effects to understand how the dynamics produces the actual beam distributions, and in particular we show how the stationary, self-consistent solutions are related to the (external and space-charge) potentials both when we suppose that the external field is harmonic (constant focusing), and when we a priori prescribe the shape of the stationary solution. We then proceed to discuss a few other ideas by introducing generalized Student distributions, namely, non-Gaussian, Lévy infinitely divisible (but not stable) distributions. We will discuss this idea from two different standpoints: (a) first by supposing that the stationary distribution of our (Wiener powered) SM model is a Student distribution; (b) by supposing that our model is based on a (non-Gaussian) Lévy process whose increments are Student distributed. We show that in the case (a) the longer tails of the power decay of the Student laws and in the case (b) the discontinuities of the Lévy-Student process can well account for the rare escape of particles from the beam core, and hence for the formation of a halo in intense beams.
Levy-Student distributions for halos in accelerator beams
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cufaro Petroni, Nicola; De Martino, Salvatore; De Siena, Silvio
2005-12-15
We describe the transverse beam distribution in particle accelerators within the controlled, stochastic dynamical scheme of stochastic mechanics (SM) which produces time reversal invariant diffusion processes. This leads to a linearized theory summarized in a Schroedinger-like (SL) equation. The space charge effects have been introduced in recent papers by coupling this S-L equation with the Maxwell equations. We analyze the space-charge effects to understand how the dynamics produces the actual beam distributions, and in particular we show how the stationary, self-consistent solutions are related to the (external and space-charge) potentials both when we suppose that the external field is harmonicmore » (constant focusing), and when we a priori prescribe the shape of the stationary solution. We then proceed to discuss a few other ideas by introducing generalized Student distributions, namely, non-Gaussian, Levy infinitely divisible (but not stable) distributions. We will discuss this idea from two different standpoints: (a) first by supposing that the stationary distribution of our (Wiener powered) SM model is a Student distribution; (b) by supposing that our model is based on a (non-Gaussian) Levy process whose increments are Student distributed. We show that in the case (a) the longer tails of the power decay of the Student laws and in the case (b) the discontinuities of the Levy-Student process can well account for the rare escape of particles from the beam core, and hence for the formation of a halo in intense beams.« less
NASA Astrophysics Data System (ADS)
Hu, Jisong; Ji, Gepeng; Ma, Xinguo; He, Hua; Huang, Chuyun
2018-05-01
Interfacial interactions and electronic properties of graphene/CH3NH3PbI3 heterojunctions were investigated by first-principles calculations incorporating semiempirical dispersion-correction scheme to describe van der Waals interactions. Two lattice match configurations between graphene and CH3NH3PbI3(0 0 1) slab were constructed in parallel contact and both of them were verified to form remarkable van der Waals heterojunctions with similar work functions. Our calculated energy band structures show that the Dirac-cone of graphene and the direct band gap of CH3NH3PbI3 are still preserved in the heterojunctions, thus graphene can be a promising candidate either as a capping or supporting layer for encapsulating CH3NH3PbI3 layer. It is identified that the Schottky barrier of graphene/CH3NH3PbI3 heterojunctions can be controlled by the interlayer distance and affected by the stacking pattern of graphene and CH3NH3PbI3. The 3D charge density differences present the build-in internal electric field from graphene to CH3NH3PbI3 after interface equilibrium and thus, a low n-type Schottky barrier is needed for high efficient charge transferring in the interface. The possible mechanism of the band edge modulations in the heterojunctions and corresponding photoinduced charge transfer processes are also described.
X-ray Pump–Probe Investigation of Charge and Dissociation Dynamics in Methyl Iodine Molecule
Fang, Li; Xiong, Hui; Kukk, Edwin; ...
2017-05-19
Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up tomore » 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.« less
The fragment spin difference scheme for triplet-triplet energy transfer coupling
NASA Astrophysics Data System (ADS)
You, Zhi-Qiang; Hsu, Chao-Ping
2010-08-01
To calculate the electronic couplings in both inter- and intramolecular triplet energy transfer (TET), we have developed the "fragment spin difference" (FSD) scheme. The FSD was a generalization from the "fragment charge difference" (FCD) method of Voityuk et al. [J. Chem. Phys. 117, 5607 (2002)] for electron transfer (ET) coupling. In FSD, the spin population difference was used in place of the charge difference in FCD. FSD is derived from the eigenstate energies and populations, and therefore the FSD couplings contain all contributions in the Hamiltonian as well as the potential overlap effect. In the present work, two series of molecules, all-trans-polyene oligomers and polycyclic aromatic hydrocarbons, were tested for intermolecular TET study. The TET coupling results are largely similar to those from the previously developed direct coupling scheme, with FSD being easier and more flexible in use. On the other hand, the Dexter's exchange integral value, a quantity that is often used as an approximate for the TET coupling, varies in a large range as compared to the corresponding TET coupling. To test the FSD for intramolecular TET, we have calculated the TET couplings between zinc(II)-porphyrin and free-base porphyrin separated by different numbers of p-phenyleneethynylene bridge units. Our estimated rate constants are consistent with experimentally measured TET rates. The FSD method can be used for both intermolecular and intramolecular TET, regardless of their symmetry. This general applicability is an improvement over most existing methodologies.
A cascaded coding scheme for error control and its performance analysis
NASA Technical Reports Server (NTRS)
Lin, S.
1986-01-01
A coding scheme for error control in data communication systems is investigated. The scheme is obtained by cascading two error correcting codes, called the inner and the outer codes. The error performance of the scheme is analyzed for a binary symmetric channel with bit error rate epsilon < 1/2. It is shown that, if the inner and outer codes are chosen properly, extremely high reliability can be attained even for a high channel bit error rate. Various specific example schemes with inner codes ranging from high rates to very low rates and Reed-Solomon codes are considered, and their probabilities are evaluated. They all provide extremely high reliability even for very high bit error rates, say 0.1 to 0.01. Several example schemes are being considered by NASA for satellite and spacecraft down link error control.
A user-driven treadmill control scheme for simulating overground locomotion.
Kim, Jonghyun; Stanley, Christopher J; Curatalo, Lindsey A; Park, Hyung-Soon
2012-01-01
Treadmill-based locomotor training should simulate overground walking as closely as possible for optimal skill transfer. The constant speed of a standard treadmill encourages automaticity rather than engagement and fails to simulate the variable speeds encountered during real-world walking. To address this limitation, this paper proposes a user-driven treadmill velocity control scheme that allows the user to experience natural fluctuations in walking velocity with minimal unwanted inertial force due to acceleration/deceleration of the treadmill belt. A smart estimation limiter in the scheme effectively attenuates the inertial force during velocity changes. The proposed scheme requires measurement of pelvic and swing foot motions, and is developed for a treadmill of typical belt length (1.5 m). The proposed scheme is quantitatively evaluated here with four healthy subjects by comparing it with the most advanced control scheme identified in the literature.
A cascaded coding scheme for error control and its performance analysis
NASA Technical Reports Server (NTRS)
Lin, Shu; Kasami, Tadao; Fujiwara, Tohru; Takata, Toyoo
1986-01-01
A coding scheme is investigated for error control in data communication systems. The scheme is obtained by cascading two error correcting codes, called the inner and outer codes. The error performance of the scheme is analyzed for a binary symmetric channel with bit error rate epsilon <1/2. It is shown that if the inner and outer codes are chosen properly, extremely high reliability can be attained even for a high channel bit error rate. Various specific example schemes with inner codes ranging form high rates to very low rates and Reed-Solomon codes as inner codes are considered, and their error probabilities are evaluated. They all provide extremely high reliability even for very high bit error rates. Several example schemes are being considered by NASA for satellite and spacecraft down link error control.
Control of birhythmicity: A self-feedback approach
NASA Astrophysics Data System (ADS)
Biswas, Debabrata; Banerjee, Tanmoy; Kurths, Jürgen
2017-06-01
Birhythmicity occurs in many natural and artificial systems. In this paper, we propose a self-feedback scheme to control birhythmicity. To establish the efficacy and generality of the proposed control scheme, we apply it on three birhythmic oscillators from diverse fields of natural science, namely, an energy harvesting system, the p53-Mdm2 network for protein genesis (the OAK model), and a glycolysis model (modified Decroly-Goldbeter model). Using the harmonic decomposition technique and energy balance method, we derive the analytical conditions for the control of birhythmicity. A detailed numerical bifurcation analysis in the parameter space establishes that the control scheme is capable of eliminating birhythmicity and it can also induce transitions between different forms of bistability. As the proposed control scheme is quite general, it can be applied for control of several real systems, particularly in biochemical and engineering systems.
A controlled ac Stark echo for quantum memories.
Ham, Byoung S
2017-08-09
A quantum memory protocol of controlled ac Stark echoes (CASE) based on a double rephasing photon echo scheme via controlled Rabi flopping is proposed. The double rephasing scheme of photon echoes inherently satisfies the no-population inversion requirement for quantum memories, but the resultant absorptive echo remains a fundamental problem. Herein, it is reported that the first echo in the double rephasing scheme can be dynamically controlled so that it does not affect the second echo, which is accomplished by using unbalanced ac Stark shifts. Then, the second echo is coherently controlled to be emissive via controlled coherence conversion. Finally a near perfect ultralong CASE is presented using a backward echo scheme. Compared with other methods such as dc Stark echoes, the present protocol is all-optical with advantages of wavelength-selective dynamic control of quantum processing for erasing, buffering, and channel multiplexing.
NASA Astrophysics Data System (ADS)
Kong, Lingyu; Han, Jiming; Xiong, Wenting; Wang, Hao; Shen, Yaqi; Li, Ying
2017-05-01
Large scale access of electric vehicles will bring huge challenges to the safe operation of the power grid, and it’s important to control the charging and discharging of the electric vehicle. First of all, from the electric quality and network loss, this paper points out the influence on the grid caused by electric vehicle charging behaviour. Besides, control strategy of electric vehicle charging and discharging has carried on the induction and the summary from the direct and indirect control. Direct control strategy means control the electric charging behaviour by controlling its electric vehicle charging and discharging power while the indirect control strategy by means of controlling the price of charging and discharging. Finally, for the convenience of the reader, this paper also proposed a complete idea of the research methods about how to study the control strategy, taking the adaptability and possibility of failure of electric vehicle control strategy into consideration. Finally, suggestions on the key areas for future research are put up.
NASA Astrophysics Data System (ADS)
Hagiwara, Yohsuke; Ohta, Takehiro; Tateno, Masaru
2009-02-01
An interface program connecting a quantum mechanics (QM) calculation engine, GAMESS, and a molecular mechanics (MM) calculation engine, AMBER, has been developed for QM/MM hybrid calculations. A protein-DNA complex is used as a test system to investigate the following two types of QM/MM schemes. In a 'subtractive' scheme, electrostatic interactions between QM/MM regions are truncated in QM calculations; in an 'additive' scheme, long-range electrostatic interactions within a cut-off distance from QM regions are introduced into one-electron integration terms of a QM Hamiltonian. In these calculations, 338 atoms are assigned as QM atoms using Hartree-Fock (HF)/density functional theory (DFT) hybrid all-electron calculations. By comparing the results of the additive and subtractive schemes, it is found that electronic structures are perturbed significantly by the introduction of MM partial charges surrounding QM regions, suggesting that biological processes occurring in functional sites are modulated by the surrounding structures. This also indicates that the effects of long-range electrostatic interactions involved in the QM Hamiltonian are crucial for accurate descriptions of electronic structures of biological macromolecules.
Rationale for constructing waste-disposal plants at existing enterprises
NASA Astrophysics Data System (ADS)
Strelkov, Alexander; Teplykh, Svetlana; Gorshkalev, Pavel; Proshina, Elizaveta
2017-10-01
The Federal State Statistics Service of the Republic of Tatarstan collected data on registered organizations involved in the fabrication and dyeing of fur. This paper describes wastewater characteristic of an existing enterprise, LLC “Melita”. This enterprise is a factory of a complete technology cycle, with the process starting from fur manufacture and design to implementation. Maximum capacity of the factory is 1800 skins per day, (excluding fur), and its average productivity is 1000 skins per day. Thorough examination of possible methods and schemes for wastewater from fur production purification showed that it is most reasonable to use technology schemes which included the structures of mechanical, physico-chemical and biological purification. As a result, the study provided a new technological scheme for industrial wastewater purification. This scheme offers using chloride barium and sodium hydrocarbons complex as reagents. For LLC “Melita”, the wastewater absorbing pond is the Volga River. Water quality indicators are taken according to the data of the FGBU “Hydrometeorology and Environmental Monitoring Office”. The research also calculates allowable discharge rates and environmental charges in the city sewer networks and ponds.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de
We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less
Wang, Yiou; Suzuki, Hajime; Xie, Jijia; Tomita, Osamu; Martin, David James; Higashi, Masanobu; Kong, Dan; Abe, Ryu; Tang, Junwang
2018-05-23
Visible light-driven water splitting using cheap and robust photocatalysts is one of the most exciting ways to produce clean and renewable energy for future generations. Cutting edge research within the field focuses on so-called "Z-scheme" systems, which are inspired by the photosystem II-photosystem I (PSII/PSI) coupling from natural photosynthesis. A Z-scheme system comprises two photocatalysts and generates two sets of charge carriers, splitting water into its constituent parts, hydrogen and oxygen, at separate locations. This is not only more efficient than using a single photocatalyst, but practically it could also be safer. Researchers within the field are constantly aiming to bring systems toward industrial level efficiencies by maximizing light absorption of the materials, engineering more stable redox couples, and also searching for new hydrogen and oxygen evolution cocatalysts. This review provides an in-depth survey of relevant Z-schemes from past to present, with particular focus on mechanistic breakthroughs, and highlights current state of the art systems which are at the forefront of the field.
Schwarz, S; Bollen, G; Kostin, M; Marti, F; Zavodszky, P; Crespo López-Urrutia, J R; Dilling, J; Kester, O
2008-02-01
Reacceleration of low-energy rare isotope beams available from gas stopping of fast-fragment beams or from an ISOL target station to energies in the range of 0.3-12 MeV/nucleon is needed for experiments such as low-energy Coulomb excitation and transfer reaction studies and for the precise study of astrophysical reactions. The implementation of charge breeding as a first step in a reaccelerator is a key to obtaining a compact and cost-efficient reacceleration scheme. For highest efficiency it is essential that single charge states are obtained in a short breeding time. A low-emittance beam must be delivered. An electron beam ion trap (EBIT) has the potential to meet these requirements. An EBIT-based charge breeder is presently under design and construction at the NSCL as part of the construction of a reaccelerator for stopped beams from projectile fragmentation. This new facility will have the potential to provide low-energy rare isotope beams not yet available elsewhere.
Puri, Swati; Chickos, James S; Welsh, William J
2002-01-01
Three-dimensional Quantitative Structure-Property Relationship (QSPR) models have been derived using Comparative Molecular Field Analysis (CoMFA) to correlate the vaporization enthalpies of a representative set of polychlorinated biphenyls (PCBs) at 298.15 K with their CoMFA-calculated physicochemical properties. Various alignment schemes, such as inertial, as is, and atom fit, were employed in this study. The CoMFA models were also developed using different partial charge formalisms, namely, electrostatic potential (ESP) charges and Gasteiger-Marsili (GM) charges. The most predictive model for vaporization enthalpy (Delta(vap)H(m)(298.15 K)), with atom fit alignment and Gasteiger-Marsili charges, yielded r2 values 0.852 (cross-validated) and 0.996 (conventional). The vaporization enthalpies of PCBs increased with the number of chlorine atoms and were found to be larger for the meta- and para-substituted isomers. This model was used to predict Delta(vap)H(m)(298.15 K) of the entire set of 209 PCB congeners.
Simulation of bipolar charge transport in nanocomposite polymer films
NASA Astrophysics Data System (ADS)
Lean, Meng H.; Chu, Wei-Ping L.
2015-03-01
This paper describes 3D particle-in-cell simulation of bipolar charge injection and transport through nanocomposite film comprised of ferroelectric ceramic nanofillers in an amorphous polymer matrix. The classical electrical double layer (EDL) model for a monopolar core is extended (eEDL) to represent the nanofiller by replacing it with a dipolar core. Charge injection at the electrodes assumes metal-polymer Schottky emission at low to moderate fields and Fowler-Nordheim tunneling at high fields. Injected particles migrate via field-dependent Poole-Frenkel mobility and recombine with Monte Carlo selection. The simulation algorithm uses a boundary integral equation method for solution of the Poisson equation coupled with a second-order predictor-corrector scheme for robust time integration of the equations of motion. The stability criterion of the explicit algorithm conforms to the Courant-Friedrichs-Levy limit assuring robust and rapid convergence. The model is capable of simulating a wide dynamic range spanning leakage current to pre-breakdown. Simulation results for BaTiO3 nanofiller in amorphous polymer matrix indicate that charge transport behavior depend on nanoparticle polarization with anti-parallel orientation showing the highest leakage conduction and therefore lowest level of charge trapping in the interaction zone. Charge recombination is also highest, at the cost of reduced leakage conduction charge. The eEDL model predicts the meandering pathways of charge particle trajectories.
Charge control microcomputer device for vehicles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Morishita, M.; Kouge, S.
1986-10-14
This patent describes a charge control microcomputer device for a vehicle, comprising: speed changing means for transmitting the output torque of an engine. The speed changing means includes a slip clutch means having an output with a variable slippage amount with respect to its input and controlled in accordance with an operating instruction. The speed changing means further includes a speed change gear for changing the rotational speed input thereto at an output thereto, the speed change gear receiving the output of the slip clutch means; a charging generator driven by the output of the speed change gear; a batterymore » charged by an output voltage of the charging generator; a voltage regulator for controlling the output voltage of the charging generator to a predetermined value; an engine controlling microcomputer for receiving data from the engine, to control the engine, the engine data comprising at least an engine speed signal; a charge control microcomputer for processing engine data from the engine controlling microcomputer and charge system data including terminal voltage data from the battery and generated voltage data from the changing generator; and a display unit for displaying detection data, including fault detection data, form the charge control microcomputer.« less
a Note on "quarks or LEPTONS?"
NASA Astrophysics Data System (ADS)
Sidharth, B. G.
In the context of a recent description of fermions as Kerr-Newman type black holes with quantum mechanical inputs, it is shown how the quark picture can be recovered. The advantage is that in the process we obtain a rationale for such features as the puzzling fractional charges of the quarks, their masses, confinement and handedness in a unified scheme.
Ryder, Christopher R; Wood, Joshua D; Wells, Spencer A; Yang, Yang; Jariwala, Deep; Marks, Tobin J; Schatz, George C; Hersam, Mark C
2016-06-01
Functionalization of atomically thin nanomaterials enables the tailoring of their chemical, optical and electronic properties. Exfoliated black phosphorus (BP)-a layered two-dimensional semiconductor-exhibits favourable charge-carrier mobility, tunable bandgap and highly anisotropic properties, but it is chemically reactive and degrades rapidly in ambient conditions. Here we show that covalent aryl diazonium functionalization suppresses the chemical degradation of exfoliated BP even after three weeks of ambient exposure. This chemical modification scheme spontaneously forms phosphorus-carbon bonds, has a reaction rate sensitive to the aryl diazonium substituent and alters the electronic properties of exfoliated BP, ultimately yielding a strong, tunable p-type doping that simultaneously improves the field-effect transistor mobility and on/off current ratio. This chemical functionalization pathway controllably modifies the properties of exfoliated BP, and thus improves its prospects for nanoelectronic applications.
NASA Astrophysics Data System (ADS)
Ryder, Christopher R.; Wood, Joshua D.; Wells, Spencer A.; Yang, Yang; Jariwala, Deep; Marks, Tobin J.; Schatz, George C.; Hersam, Mark C.
2016-06-01
Functionalization of atomically thin nanomaterials enables the tailoring of their chemical, optical and electronic properties. Exfoliated black phosphorus (BP)—a layered two-dimensional semiconductor—exhibits favourable charge-carrier mobility, tunable bandgap and highly anisotropic properties, but it is chemically reactive and degrades rapidly in ambient conditions. Here we show that covalent aryl diazonium functionalization suppresses the chemical degradation of exfoliated BP even after three weeks of ambient exposure. This chemical modification scheme spontaneously forms phosphorus-carbon bonds, has a reaction rate sensitive to the aryl diazonium substituent and alters the electronic properties of exfoliated BP, ultimately yielding a strong, tunable p-type doping that simultaneously improves the field-effect transistor mobility and on/off current ratio. This chemical functionalization pathway controllably modifies the properties of exfoliated BP, and thus improves its prospects for nanoelectronic applications.
High current polarized electron source for future eRHIC
NASA Astrophysics Data System (ADS)
Wang, Erdong
2018-05-01
The high current and high bunch charge polarized electron source is essential for cost reduction of Linac-Ring (L-R) eRHIC. In the baseline design, electron beam from multiple guns (probably 4-8) will be combined using deflection plates or accumulate ring. Each gun aims to deliver electron beam with 10 mA average current and 5.3 nC bunch charge. With total 50 mA and 5.3 nC electron beam, this beam combining design could use for generating positron too. The gun has been designed, fabricated and expected to start commissioning by the mid of this year. In this paper, we will present the DC gun design parameters and beam combine schemes. Also, we will describe the details of gun design and the strategies to demonstrate high current high charge polarized electron beam from this source.
Adaptive independent joint control of manipulators - Theory and experiment
NASA Technical Reports Server (NTRS)
Seraji, H.
1988-01-01
The author presents a simple decentralized adaptive control scheme for multijoint robot manipulators based on the independent joint control concept. The proposed control scheme for each joint consists of a PID (proportional integral and differential) feedback controller and a position-velocity-acceleration feedforward controller, both with adjustable gains. The static and dynamic couplings that exist between the joint motions are compensated by the adaptive independent joint controllers while ensuring trajectory tracking. The proposed scheme is implemented on a MicroVAX II computer for motion control of the first three joints of a PUMA 560 arm. Experimental results are presented to demonstrate that trajectory tracking is achieved despite strongly coupled, highly nonlinear joint dynamics. The results confirm that the proposed decentralized adaptive control of manipulators is feasible, in spite of strong interactions between joint motions. The control scheme presented is computationally very fast and is amenable to parallel processing implementation within a distributed computing architecture, where each joint is controlled independently by a simple algorithm on a dedicated microprocessor.
Zaïm, N; Thévenet, M; Lifschitz, A; Faure, J
2017-09-01
We propose a method to generate femtosecond, relativistic, and high-charge electron bunches using few-cycle and tightly focused radially polarized laser pulses. In this scheme, the incident laser pulse reflects off an overdense plasma that injects electrons into the reflected pulse. Particle-in-cell simulations show that the plasma injects electrons ideally, resulting in a dramatic increase of charge and energy of the accelerated electron bunch in comparison to previous methods. This method can be used to generate femtosecond pC bunches with energies in the 1-10 MeV range using realistic laser parameters corresponding to current kHz laser systems.
Radio-frequency Bloch-transistor electrometer.
Zorin, A B
2001-04-09
A quantum electrometer is proposed which is based on charge modulation of the Josephson supercurrent in the Bloch transistor inserted in a superconducting ring. As this ring is inductively coupled to a high- Q resonance tank circuit, the variations of the charge on the transistor island are converted into variations of amplitude and phase of oscillations in the tank. These variations are amplified and then detected. At sufficiently low temperature of the tank the device sensitivity is determined by the energy resolution of the amplifier, that can be reduced down to the standard quantum limit of 1 / 2Planck's over 2pi. A "back-action-evading" scheme of subquantum limit measurements is proposed.
Status of the laser ion source at IMP
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sha, S.; Graduate University of Chinese Academy of Sciences, Beijing 100049; School of Nuclear science and technology, Lanzhou University, Lanzhou 73000
2012-02-15
A laser (Nd:YAG laser, 3 J, 1064 nm, 8-10 ns) ion source has been built and under development at IMP to provide pulsed high-charge-state heavy ion beams to a radio frequency quadrupole (RFQ) for upgrading the IMP accelerators with a new low-energy beam injector. The laser ion source currently operates in a direct plasma injection scheme to inject the high charge state ions produced from a solid target into the RFQ. The maximum power density on the target was about 8.4 x 10{sup 12} W/cm{sup 2}. The preliminary experimental results will be presented and discussed in this paper.
S-matrix analysis of the baryon electric charge correlation
NASA Astrophysics Data System (ADS)
Lo, Pok Man; Friman, Bengt; Redlich, Krzysztof; Sasaki, Chihiro
2018-03-01
We compute the correlation of the net baryon number with the electric charge (χBQ) for an interacting hadron gas using the S-matrix formulation of statistical mechanics. The observable χBQ is particularly sensitive to the details of the pion-nucleon interaction, which are consistently incorporated in the current scheme via the empirical scattering phase shifts. Comparing to the recent lattice QCD studies in the (2 + 1)-flavor system, we find that the natural implementation of interactions and the proper treatment of resonances in the S-matrix approach lead to an improved description of the lattice data over that obtained in the hadron resonance gas model.
NASA Astrophysics Data System (ADS)
Anderman, Menahem; Benczur-Urmossy, Gabor; Haschka, Friedrich
Test data on prismatic sealed Ni-Cd batteries utilizing fiber structured electrodes (sealed FNC) is discussed. It is shown that, under a voltage limited charging scheme, the charge acceptance of the sealed FNC battery is far superior to that of the standard vented aircraft Ni-Cd batteries. This results in the sealed FNC battery maintaining its capacity over several thousand cycles without any need for electrical conditioning or water topping. APU start data demonstrate superior power capabilities over existing technologies. Performance at low temperature is presented. Abuse test results reveal a safe fail mechanism even under severe electrical abuse.
NASA Astrophysics Data System (ADS)
Logunova, O. S.; Sibileva, N. S.
2017-12-01
The purpose of the study is to increase the efficiency of the steelmaking process in large capacity arc furnace on the basis of implementation a new decision-making system about the composition of charge materials. The authors proposed an interactive builder for the formation of the optimization problem, taking into account the requirements of the customer, normative documents and stocks of charge materials in the warehouse. To implement the interactive builder, the sets of deterministic and stochastic model components are developed, as well as a list of preferences of criteria and constraints.
Coulomb- and Antiferromagnetic-Induced Fission in Doubly Charged Cubelike Fe-S Clusters
NASA Astrophysics Data System (ADS)
Yang, Xin; Wang, Xue-Bin; Niu, Shuqiang; Pickett, Chris J.; Ichiye, Toshiko; Wang, Lai-Sheng
2002-09-01
We report the observation of symmetric fission in doubly charged Fe-S cluster anions, [Fe4S4X4]2- -->2[Fe2S2X2]- (X=Cl,Br), owing to both Coulomb repulsion and antiferromagnetic coupling. Photoelectron spectroscopy shows that both the parent and the fission fragments have similar electronic structures and confirms the inverted energy schemes due to the strong spin polarization of the Fe 3d levels. The current observation provides direct confirmation for the unusual spin couplings in the [Fe4S4X4]2- clusters, which contain two valent-delocalized and ferromagnetically coupled Fe2S2 subunits.
Singh, Ravendra; Ierapetritou, Marianthi; Ramachandran, Rohit
2013-11-01
The next generation of QbD based pharmaceutical products will be manufactured through continuous processing. This will allow the integration of online/inline monitoring tools, coupled with an efficient advanced model-based feedback control systems, to achieve precise control of process variables, so that the predefined product quality can be achieved consistently. The direct compaction process considered in this study is highly interactive and involves time delays for a number of process variables due to sensor placements, process equipment dimensions, and the flow characteristics of the solid material. A simple feedback regulatory control system (e.g., PI(D)) by itself may not be sufficient to achieve the tight process control that is mandated by regulatory authorities. The process presented herein comprises of coupled dynamics involving slow and fast responses, indicating the requirement of a hybrid control scheme such as a combined MPC-PID control scheme. In this manuscript, an efficient system-wide hybrid control strategy for an integrated continuous pharmaceutical tablet manufacturing process via direct compaction has been designed. The designed control system is a hybrid scheme of MPC-PID control. An effective controller parameter tuning strategy involving an ITAE method coupled with an optimization strategy has been used for tuning of both MPC and PID parameters. The designed hybrid control system has been implemented in a first-principles model-based flowsheet that was simulated in gPROMS (Process System Enterprise). Results demonstrate enhanced performance of critical quality attributes (CQAs) under the hybrid control scheme compared to only PID or MPC control schemes, illustrating the potential of a hybrid control scheme in improving pharmaceutical manufacturing operations. Copyright © 2013 Elsevier B.V. All rights reserved.
Comparative study of state-of-the-art myoelectric controllers for multigrasp prosthetic hands.
Segil, Jacob L; Controzzi, Marco; Weir, Richard F ff; Cipriani, Christian
2014-01-01
A myoelectric controller should provide an intuitive and effective human-machine interface that deciphers user intent in real-time and is robust enough to operate in daily life. Many myoelectric control architectures have been developed, including pattern recognition systems, finite state machines, and more recently, postural control schemes. Here, we present a comparative study of two types of finite state machines and a postural control scheme using both virtual and physical assessment procedures with seven nondisabled subjects. The Southampton Hand Assessment Procedure (SHAP) was used in order to compare the effectiveness of the controllers during activities of daily living using a multigrasp artificial hand. Also, a virtual hand posture matching task was used to compare the controllers when reproducing six target postures. The performance when using the postural control scheme was significantly better (p < 0.05) than the finite state machines during the physical assessment when comparing within-subject averages using the SHAP percent difference metric. The virtual assessment results described significantly greater completion rates (97% and 99%) for the finite state machines, but the movement time tended to be faster (2.7 s) for the postural control scheme. Our results substantiate that postural control schemes rival other state-of-the-art myoelectric controllers.
Development of a Microcontroller-based Battery Charge Controller for an Off-grid Photovoltaic System
NASA Astrophysics Data System (ADS)
Rina, Z. S.; Amin, N. A. M.; Hashim, M. S. M.; Majid, M. S. A.; Rojan, M. A.; Zaman, I.
2017-08-01
A development of a microcontroller-based charge controller for a 12V battery has been explained in this paper. The system is designed based on a novel algorithm to couple existing solar photovoltaic (PV) charging and main grid supply charging power source. One of the main purposes of the hybrid charge controller is to supply a continuous charging power source to the battery. Furthermore, the hybrid charge controller was developed to shorten the battery charging time taken. The algorithm is programmed in an Arduino Uno R3 microcontroller that monitors the battery voltage and generates appropriate commands for the charging power source selection. The solar energy is utilized whenever the solar irradiation is high. The main grid supply will be only consumed whenever the solar irradiation is low. This system ensures continuous charging power supply and faster charging of the battery.
Federal Register 2010, 2011, 2012, 2013, 2014
2013-02-21
... has not been controlled through the Kimberley Process Certification Scheme (KPCS). Under Section 3(2) of the Act, ``controlled through the Kimberley Process Certification Scheme'' means an importation... Kimberley Process Certification Scheme. Angola--Ministry of Geology and Mines. Armenia--Ministry of Trade...
Guidance trajectories for aeroassisted orbital transfer
NASA Technical Reports Server (NTRS)
Miele, A.
1990-01-01
Research on aerobraking guidance schemes is presented. The intent is to produce aerobraking guidance trajectories exhibiting many of the desirable characteristics of optimal aerobraking trajectories. Both one-control schemes and two-control schemes are studied. The research is in the interest of aeroassisted flight experiment vehicles (AFE) and aeroassisted orbital transfer (AOT) vehicles.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Baer, Donald R.
2005-04-22
An updated version of the ASTM guide E1523 to the methods to charge control and charge referencing techniques in x-ray photoelectron spectroscopy has been released by ASTM. The guide is meant to acquaint x-ray photoelectron spectroscopy (XPS) users with the various charge control and charge referencing techniques that are and have been used in the acquisition and interpretation of XPS data from surfaces of insulating specimens. The current guide has been expanded to include new references as well as recommendations for reporting information on charge control and charge referencing. The previous version of the document had been published in 1997.
A discrete-time adaptive control scheme for robot manipulators
NASA Technical Reports Server (NTRS)
Tarokh, M.
1990-01-01
A discrete-time model reference adaptive control scheme is developed for trajectory tracking of robot manipulators. The scheme utilizes feedback, feedforward, and auxiliary signals, obtained from joint angle measurement through simple expressions. Hyperstability theory is utilized to derive the adaptation laws for the controller gain matrices. It is shown that trajectory tracking is achieved despite gross robot parameter variation and uncertainties. The method offers considerable design flexibility and enables the designer to improve the performance of the control system by adjusting free design parameters. The discrete-time adaptation algorithm is extremely simple and is therefore suitable for real-time implementation. Simulations and experimental results are given to demonstrate the performance of the scheme.
The Mexican Social Security counterreform: pensions for profit.
Laurell, A C
1999-01-01
The social security counterreform, initiated in 1997, forms part of the neoliberal reorganization of Mexican society. The reform implies a profound change in the guiding principles of social security, as the public model based on integrality, solidarity, and redistribution is replaced by a model based on private administration of funds and services, individualization of entitlement, and reduction of rights. Its economic purpose is to move social services and benefits into the direct sphere of private capital accumulation. Although these changes will involve the whole social security system--old-age and disability pensions, health care, child care, and workers' compensation--they are most immediately evident in the pension scheme. The pay-as-you-go scheme is being replaced by privately managed individual retirement accounts which especially favor the big financial groups. These groups are gaining control over huge amounts of capital, are authorized to charge a high commission, and run no financial risks. The privatization of the system requires decisive state intervention with a legal change and a sizable state subsidy (1 to 1.5 percent of GNP) over five decades. The supposed positive impact on economic growth and employment is uncertain. A review of the new law and of the estimates of future annuities reveals shrinking pension coverage and inadequate incomes from pensions.
NASA Astrophysics Data System (ADS)
Sahai, Aakash A.
2014-05-01
We analyze the motion of the plasma critical layer by two different processes in the relativistic-electron laser-plasma interaction regime (a0>1). The differences are highlighted when the critical layer ions are stationary in contrast to when they move with it. Controlling the speed of the plasma critical layer in this regime is essential for creating low-β traveling acceleration structures of sufficient laser-excited potential for laser ion accelerators. In Relativistically Induced Transparency Acceleration (RITA) scheme, the heavy plasma-ions are fixed and only trace-density light-ions are accelerated. The relativistic critical layer and the acceleration structure move longitudinally forward by laser inducing transparency through apparent relativistic increase in electron mass. In the Radiation Pressure Acceleration (RPA) scheme, the whole plasma is longitudinally pushed forward under the action of the laser radiation pressure, possible only when plasma ions co-propagate with the laser front. In RPA, the acceleration structure velocity critically depends upon plasma-ion mass in addition to the laser intensity and plasma density. In RITA, mass of the heavy immobile plasma-ions does not affect the speed of the critical layer. Inertia of the bared immobile ions in RITA excites the charge separation potential, whereas RPA is not possible when ions are stationary.
NASA Astrophysics Data System (ADS)
Dalichaouch, Thamine; Davidson, Asher; Xu, Xinlu; Yu, Peicheng; Tsung, Frank; Mori, Warren; Li, Fei; Zhang, Chaojie; Lu, Wei; Vieira, Jorge; Fonseca, Ricardo
2016-10-01
In the past few decades, there has been much progress in theory, simulation, and experiment towards using Laser wakefield acceleration (LWFA) as the basis for designing and building compact x-ray free-electron-lasers (XFEL) as well as a next generation linear collider. Recently, ionization injection and density downramp injection have been proposed and demonstrated as a controllable injection scheme for creating higher quality and ultra-bright relativistic electron beams using LWFA. However, full-3D simulations of plasma-based accelerators are computationally intensive, sometimes taking 100 millions of core-hours on today's computers. A more efficient quasi-3D algorithm was developed and implemented into OSIRIS using a particle-in-cell description with a charge conserving current deposition scheme in r - z and a gridless Fourier expansion in ϕ. Due to the azimuthal symmetry in LWFA, quasi-3D simulations are computationally more efficient than 3D cartesian simulations since only the first few harmonics in are needed ϕ to capture the 3D physics of LWFA. Using the quasi-3D approach, we present preliminary results of ionization and down ramp triggered injection and compare the results against 3D LWFA simulations. This work was supported by DOE and NSF.
Testing new technologies for the LISA Gravitational Reference Senso
NASA Astrophysics Data System (ADS)
Conklin, John; Chilton, Andrew; Olatunde, Taiwo; Apple, Stephen; Ciani, Giacomo; Mueller, Guido
2015-01-01
LISA will directly observe low-frequency gravitational waves emitted by sources ranging from super-massive black hole mergers to compact galactic binaries. A laser interferometer will measure picometer changes in the distances between free falling test masses separated by millions of kilometers. A test mass and its associated sensing, actuation, charge control and caging subsystems are referred to as a gravitational reference sensor (GRS). The demanding acceleration noise requirement of < 3×10-15 m/sec2Hz1/2 for the LISA GRS has motivated a rigorous testing campaign in Europe and a dedicated technology mission, LISA Pathfinder, scheduled for launch in the summer of 2015. At the University of Florida we are developing a nearly thermally noise limited torsion pendulum for testing GRS technology enhancements and for understanding the dozens of acceleration noise sources that affect the performance of the GRS. This experimental facility is based on the design of a similar facility at the University of Trento, and consists of a vacuum enclosed torsion pendulum that suspends mock-ups of the LISA test masses, surrounded by electrode housings. Some of the technologies that will be demonstrated by this facility include a novel TM charge control scheme based on ultraviolet LEDs, an all-optical TM position and attitude sensor, and drift mode operation. This presentation will describe the design of the torsion pendulum facility, its current acceleration noise performance, and the status of the GRS technologies under development.
A Hybrid Nonlinear Control Scheme for Active Magnetic Bearings
NASA Technical Reports Server (NTRS)
Xia, F.; Albritton, N. G.; Hung, J. Y.; Nelms, R. M.
1996-01-01
A nonlinear control scheme for active magnetic bearings is presented in this work. Magnet winding currents are chosen as control inputs for the electromechanical dynamics, which are linearized using feedback linearization. Then, the desired magnet currents are enforced by sliding mode control design of the electromagnetic dynamics. The overall control scheme is described by a multiple loop block diagram; the approach also falls in the class of nonlinear controls that are collectively known as the 'integrator backstepping' method. Control system hardware and new switching power electronics for implementing the controller are described. Various experiments and simulation results are presented to demonstrate the concepts' potentials.
Hammerstrom, Donald J.
2013-10-15
A method for managing the charging and discharging of batteries wherein at least one battery is connected to a battery charger, the battery charger is connected to a power supply. A plurality of controllers in communication with one and another are provided, each of the controllers monitoring a subset of input variables. A set of charging constraints may then generated for each controller as a function of the subset of input variables. A set of objectives for each controller may also be generated. A preferred charge rate for each controller is generated as a function of either the set of objectives, the charging constraints, or both, using an algorithm that accounts for each of the preferred charge rates for each of the controllers and/or that does not violate any of the charging constraints. A current flow between the battery and the battery charger is then provided at the actual charge rate.
Aberration correction for charged particle lithography
NASA Astrophysics Data System (ADS)
Munro, Eric; Zhu, Xieqing; Rouse, John A.; Liu, Haoning
2001-12-01
At present, the throughput of projection-type charge particle lithography systems, such as PREVAIL and SCALPEL, is limited primarily by the combined effects of field curvature in the projection lenses and Coulomb interaction in the particle beam. These are fundamental physical limitations, inherent in charged particle optics, so there seems little scope for significantly improving the design of such systems, using conventional rotationally symmetric electron lenses. This paper explores the possibility of overcoming the field aberrations of round electron lense, by using a novel aberration corrector, proposed by Professor H. Rose of University of Darmstadt, called a hexapole planator. In this scheme, a set of round lenses is first used to simultaneously correct distortion and coma. The hexapole planator is then used to correct the field curvature and astigmatism, and to create a negative spherical aberration. The size of the transfer lenses around the planator can then be adjusted to zero the residual spherical aberration. In a way, an electron optical projection system is obtained that is free of all primary geometrical aberrations. In this paper, the feasibility of this concept has been studied with a computer simulation. The simulations verify that this scheme can indeed work, for both electrostatic and magnetic projection systems. Two design studies have been carried out. The first is for an electrostatic system that could be used for ion beam lithography, and the second is for a magnetic projection system for electron beam lithography. In both cases, designs have been achieved in which all primary third-order geometrical aberrations are totally eliminated.
NASA Astrophysics Data System (ADS)
Chen, G.; Chacón, L.
2014-10-01
A recent proof-of-principle study proposes a nonlinear electrostatic implicit particle-in-cell (PIC) algorithm in one dimension (Chen et al., 2011). The algorithm employs a kinetically enslaved Jacobian-free Newton-Krylov (JFNK) method, and conserves energy and charge to numerical round-off. In this study, we generalize the method to electromagnetic simulations in 1D using the Darwin approximation to Maxwell's equations, which avoids radiative noise issues by ordering out the light wave. An implicit, orbit-averaged, time-space-centered finite difference scheme is employed in both the 1D Darwin field equations (in potential form) and the 1D-3V particle orbit equations to produce a discrete system that remains exactly charge- and energy-conserving. Furthermore, enabled by the implicit Darwin equations, exact conservation of the canonical momentum per particle in any ignorable direction is enforced via a suitable scattering rule for the magnetic field. We have developed a simple preconditioner that targets electrostatic waves and skin currents, and allows us to employ time steps O(√{mi /me } c /veT) larger than the explicit CFL. Several 1D numerical experiments demonstrate the accuracy, performance, and conservation properties of the algorithm. In particular, the scheme is shown to be second-order accurate, and CPU speedups of more than three orders of magnitude vs. an explicit Vlasov-Maxwell solver are demonstrated in the "cold" plasma regime (where kλD ≪ 1).
Li, Chia-Hsun; Hsu, Chan-Wei; Lu, Shih-Yuan
2018-07-01
TiO 2 nanocrystals decorated core-shell CdS-CdO nanorod arrays, TiO 2 @CdO/CdS NR, were fabricated as high efficiency anodes for photoelctrochemical hydrogen generation. The novel sandwich heterostructure was constructed from first growth of CdS nanorod arrays on a fluorine doped tin oxide (FTO) substrate with a hydrothermal process, followed by in situ generation of CdO thin films of single digit nanometers from the CdS nanorod surfaces through thermal oxidation, and final decoration of TiO 2 nanocrystals of 10-20 nm via a successive ionic layer absorption and reaction process. The core-shell CdS-CdO heterostructure possesses a Z-scheme band structure to enhance interfacial charge transfer, facilitating effective charge separation to suppress electron-hole recombination within CdS for much improved current density generation. The final decoration of TiO 2 nanocrystals passivates surface defects and trap states of CdO, further suppressing surface charge recombination for even higher photovoltaic conversion efficiencies. The photoelectrochemical performances of the plain CdS nanorod array were significantly improved with the formation of the sandwich heterostructure, achieving a photo current density of 3.2 mA/cm 2 at 1.23 V (vs. RHE), a 141% improvement over the plain CdS nanorod array and a 32% improvement over the CdO/CdS nanorod array. Copyright © 2018 Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Guo, Na; Li, Haiyan; Xu, Xingjian; Yu, Hongwen
2016-12-01
Novel hierarchical Fe3O4@MoS2/Ag3PO4 magnetic nanophotocatalyst with remarkable photocatalytic capability were prepared by simply depositing the Ag3PO4 onto the surface of crumpled Fe3O4@MoS2 nanosphere. The nanocomposites were characterized by XRD, TEM, HRTEM, XPS, BET, and UV-vis DRS. The outcome of the photocatalytic experiments demonstrated that Fe3O4@MoS2/Ag3PO4 with 6 wt% content of Ag3PO4 (FM/A-6%) showed the highest photocatalytic activity upon the degradation Congo red (CR) and Rhodamine B (RhB) under both visible light and simulated sunlight irradiation. In addition, FM/A-6% possessed larger specific surface area (76.56 m2/g) and excellent optical property. The possible Z-scheme charge carriers transfer mechanism for the enhanced photocatalytic properties of the FM/A-6% was also discussed. The Z-scheme charge carriers transfer mechanism established between MoS2 and Ag3PO4 facilitate the charge separation efficiency. Moreover, FM/A-6% can be separated and collected easily by external magnetic field and maintain high activity after five times photoreaction cycles. Given the remarkable photocatalytic performance and high stability of FM/A-6% nanocomposite, it is looking forward to exhibit great potential for applications in water purification.
Leherte, Laurence; Vercauteren, Daniel P
2014-02-01
Reduced point charge models of amino acids are designed, (i) from local extrema positions in charge density distribution functions built from the Poisson equation applied to smoothed molecular electrostatic potential (MEP) functions, and (ii) from local maxima positions in promolecular electron density distribution functions. Corresponding charge values are fitted versus all-atom Amber99 MEPs. To easily generate reduced point charge models for protein structures, libraries of amino acid templates are built. The program GROMACS is used to generate stable Molecular Dynamics trajectories of an Ubiquitin-ligand complex (PDB: 1Q0W), under various implementation schemes, solvation, and temperature conditions. Point charges that are not located on atoms are considered as virtual sites with a nul mass and radius. The results illustrate how the intra- and inter-molecular H-bond interactions are affected by the degree of reduction of the point charge models and give directions for their implementation; a special attention to the atoms selected to locate the virtual sites and to the Coulomb-14 interactions is needed. Results obtained at various temperatures suggest that the use of reduced point charge models allows to probe local potential hyper-surface minima that are similar to the all-atom ones, but are characterized by lower energy barriers. It enables to generate various conformations of the protein complex more rapidly than the all-atom point charge representation. Copyright © 2013 Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Bejaoui, Najoua
The pressurized water nuclear reactors (PWRs) is the largest fleet of nuclear reactors in operation around the world. Although these reactors have been studied extensively by designers and operators using efficient numerical methods, there are still some calculation weaknesses, given the geometric complexity of the core, still unresolved such as the analysis of the neutron flux's behavior at the core-reflector interface. The standard calculation scheme is a two steps process. In the first step, a detailed calculation at the assembly level with reflective boundary conditions, provides homogenized cross-sections for the assemblies, condensed to a reduced number of groups; this step is called the lattice calculation. The second step uses homogenized properties in each assemblies to calculate reactor properties at the core level. This step is called the full-core calculation or whole-core calculation. This decoupling of the two calculation steps is the origin of methodological bias particularly at the interface core reflector: the periodicity hypothesis used to calculate cross section librairies becomes less pertinent for assemblies that are adjacent to the reflector generally represented by these two models: thus the introduction of equivalent reflector or albedo matrices. The reflector helps to slowdown neutrons leaving the reactor and returning them to the core. This effect leads to two fission peaks in fuel assemblies localised at the core/reflector interface, the fission rate increasing due to the greater proportion of reentrant neutrons. This change in the neutron spectrum arises deep inside the fuel located on the outskirts of the core. To remedy this we simulated a peripheral assembly reflected with TMI-PWR reflector and developed an advanced calculation scheme that takes into account the environment of the peripheral assemblies and generate equivalent neutronic properties for the reflector. This scheme is tested on a core without control mechanisms and charged with fresh fuel. The results of this study showed that explicit representation of reflector and calculation of peripheral assembly with our advanced scheme allow corrections to the energy spectrum at the core interface and increase the peripheral power by up to 12% compared with that of the reference scheme.
Robust Stabilization of T-S Fuzzy Stochastic Descriptor Systems via Integral Sliding Modes.
Li, Jinghao; Zhang, Qingling; Yan, Xing-Gang; Spurgeon, Sarah K
2017-09-19
This paper addresses the robust stabilization problem for T-S fuzzy stochastic descriptor systems using an integral sliding mode control paradigm. A classical integral sliding mode control scheme and a nonparallel distributed compensation (Non-PDC) integral sliding mode control scheme are presented. It is shown that two restrictive assumptions previously adopted developing sliding mode controllers for Takagi-Sugeno (T-S) fuzzy stochastic systems are not required with the proposed framework. A unified framework for sliding mode control of T-S fuzzy systems is formulated. The proposed Non-PDC integral sliding mode control scheme encompasses existing schemes when the previously imposed assumptions hold. Stability of the sliding motion is analyzed and the sliding mode controller is parameterized in terms of the solutions of a set of linear matrix inequalities which facilitates design. The methodology is applied to an inverted pendulum model to validate the effectiveness of the results presented.
Mixed mode control method and engine using same
Kesse, Mary L [Peoria, IL; Duffy, Kevin P [Metamora, IL
2007-04-10
A method of mixed mode operation of an internal combustion engine includes the steps of controlling a homogeneous charge combustion event timing in a given engine cycle, and controlling a conventional charge injection event to be at least a predetermined time after the homogeneous charge combustion event. An internal combustion engine is provided, including an electronic controller having a computer readable medium with a combustion timing control algorithm recorded thereon, the control algorithm including means for controlling a homogeneous charge combustion event timing and means for controlling a conventional injection event timing to be at least a predetermined time from the homogeneous charge combustion event.
NASA Astrophysics Data System (ADS)
Kunisetti, V. Praveen Kumar; Thippiripati, Vinay Kumar
2018-01-01
Open End Winding Induction Motors (OEWIM) are popular for electric vehicles, ship propulsion applications due to less DC link voltage. Electric vehicles, ship propulsions require ripple free torque. In this article, an enhanced three-level voltage switching state scheme for direct torque controlled OEWIM drive is implemented to reduce torque and flux ripples. The limitations of conventional Direct Torque Control (DTC) are: possible problems during low speeds and starting, it operates with variable switching frequency due to hysteresis controllers and produces higher torque and flux ripple. The proposed DTC scheme can abate the problems of conventional DTC with an enhanced voltage switching state scheme. The three-level inversion was obtained by operating inverters with equal DC-link voltages and it produces 18 voltage space vectors. These 18 vectors are divided into low and high frequencies of operation based on rotor speed. The hardware results prove the validity of proposed DTC scheme during steady-state and transients. From simulation and experimental results, proposed DTC scheme gives less torque and flux ripples on comparison to two-level DTC. The proposed DTC is implemented using dSPACE DS-1104 control board interface with MATLAB/SIMULINK-RTI model.
NASA Astrophysics Data System (ADS)
Kunisetti, V. Praveen Kumar; Thippiripati, Vinay Kumar
2018-06-01
Open End Winding Induction Motors (OEWIM) are popular for electric vehicles, ship propulsion applications due to less DC link voltage. Electric vehicles, ship propulsions require ripple free torque. In this article, an enhanced three-level voltage switching state scheme for direct torque controlled OEWIM drive is implemented to reduce torque and flux ripples. The limitations of conventional Direct Torque Control (DTC) are: possible problems during low speeds and starting, it operates with variable switching frequency due to hysteresis controllers and produces higher torque and flux ripple. The proposed DTC scheme can abate the problems of conventional DTC with an enhanced voltage switching state scheme. The three-level inversion was obtained by operating inverters with equal DC-link voltages and it produces 18 voltage space vectors. These 18 vectors are divided into low and high frequencies of operation based on rotor speed. The hardware results prove the validity of proposed DTC scheme during steady-state and transients. From simulation and experimental results, proposed DTC scheme gives less torque and flux ripples on comparison to two-level DTC. The proposed DTC is implemented using dSPACE DS-1104 control board interface with MATLAB/SIMULINK-RTI model.
Wu, Yao; Dai, Xiaodong; Huang, Niu; Zhao, Lifeng
2013-06-05
In force field parameter development using ab initio potential energy surfaces (PES) as target data, an important but often neglected matter is the lack of a weighting scheme with optimal discrimination power to fit the target data. Here, we developed a novel partition function-based weighting scheme, which not only fits the target potential energies exponentially like the general Boltzmann weighting method, but also reduces the effect of fitting errors leading to overfitting. The van der Waals (vdW) parameters of benzene and propane were reparameterized by using the new weighting scheme to fit the high-level ab initio PESs probed by a water molecule in global configurational space. The molecular simulation results indicate that the newly derived parameters are capable of reproducing experimental properties in a broader range of temperatures, which supports the partition function-based weighting scheme. Our simulation results also suggest that structural properties are more sensitive to vdW parameters than partial atomic charge parameters in these systems although the electrostatic interactions are still important in energetic properties. As no prerequisite conditions are required, the partition function-based weighting method may be applied in developing any types of force field parameters. Copyright © 2013 Wiley Periodicals, Inc.
Multichannel feedforward control schemes with coupling compensation for active sound profiling
NASA Astrophysics Data System (ADS)
Mosquera-Sánchez, Jaime A.; Desmet, Wim; de Oliveira, Leopoldo P. R.
2017-05-01
Active sound profiling includes a number of control techniques that enables the equalization, rather than the mere reduction, of acoustic noise. Challenges may rise when trying to achieve distinct targeted sound profiles simultaneously at multiple locations, e.g., within a vehicle cabin. This paper introduces distributed multichannel control schemes for independently tailoring structural borne sound reaching a number of locations within a cavity. The proposed techniques address the cross interactions amongst feedforward active sound profiling units, which compensate for interferences of the primary sound at each location of interest by exchanging run-time data amongst the control units, while attaining the desired control targets. Computational complexity, convergence, and stability of the proposed multichannel schemes are examined in light of the physical system at which they are implemented. The tuning performance of the proposed algorithms is benchmarked with the centralized and pure-decentralized control schemes through computer simulations on a simplified numerical model, which has also been subjected to plant magnitude variations. Provided that the representation of the plant is accurate enough, the proposed multichannel control schemes have been shown as the only ones that properly deliver targeted active sound profiling tasks at each error sensor location. Experimental results in a 1:3-scaled vehicle mock-up further demonstrate that the proposed schemes are able to attain reductions of more than 60 dB upon periodic disturbances at a number of positions, while resolving cross-channel interferences. Moreover, when the sensor/actuator placement is found as defective at a given frequency, the inclusion of a regularization parameter in the cost function is seen to not hinder the proper operation of the proposed compensation schemes, at the time that it assures their stability, at the expense of losing control performance.
Code of Federal Regulations, 2010 CFR
2010-07-01
..., unless the rough diamond has been controlled through the Kimberley Process Certification Scheme. (b) The... States of any rough diamond not controlled through the Kimberley Process Certification Scheme do not... Process Certification Scheme and thus is not permitted, except in the following circumstance. The...
Statistical process control based chart for information systems security
NASA Astrophysics Data System (ADS)
Khan, Mansoor S.; Cui, Lirong
2015-07-01
Intrusion detection systems have a highly significant role in securing computer networks and information systems. To assure the reliability and quality of computer networks and information systems, it is highly desirable to develop techniques that detect intrusions into information systems. We put forward the concept of statistical process control (SPC) in computer networks and information systems intrusions. In this article we propose exponentially weighted moving average (EWMA) type quality monitoring scheme. Our proposed scheme has only one parameter which differentiates it from the past versions. We construct the control limits for the proposed scheme and investigate their effectiveness. We provide an industrial example for the sake of clarity for practitioner. We give comparison of the proposed scheme with EWMA schemes and p chart; finally we provide some recommendations for the future work.
Kumar, Navneet; Raj Chelliah, Thanga; Srivastava, S P
2015-07-01
Model Based Control (MBC) is one of the energy optimal controllers used in vector-controlled Induction Motor (IM) for controlling the excitation of motor in accordance with torque and speed. MBC offers energy conservation especially at part-load operation, but it creates ripples in torque and speed during load transition, leading to poor dynamic performance of the drive. This study investigates the opportunity for improving dynamic performance of a three-phase IM operating with MBC and proposes three control schemes: (i) MBC with a low pass filter (ii) torque producing current (iqs) injection in the output of speed controller (iii) Variable Structure Speed Controller (VSSC). The pre and post operation of MBC during load transition is also analyzed. The dynamic performance of a 1-hp, three-phase squirrel-cage IM with mine-hoist load diagram is tested. Test results are provided for the conventional field-oriented (constant flux) control and MBC (adjustable excitation) with proposed schemes. The effectiveness of proposed schemes is also illustrated for parametric variations. The test results and subsequent analysis confer that the motor dynamics improves significantly with all three proposed schemes in terms of overshoot/undershoot peak amplitude of torque and DC link power in addition to energy saving during load transitions. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.
Quantum interference control of an isolated resonance lifetime in the weak-field limit.
García-Vela, A
2015-11-21
Resonance states play an important role in a large variety of physical and chemical processes. Thus, controlling the resonance behavior, and particularly a key property like the resonance lifetime, opens up the possibility of controlling those resonance mediated processes. While such a resonance control is possible by applying strong-field approaches, the development of flexible weak-field control schemes that do not alter significantly the system dynamics still remains a challenge. In this work, one such control scheme within the weak-field regime is proposed for the first time in order to modify the lifetime of an isolated resonance state. The basis of the scheme suggested is quantum interference between two pathways induced by laser fields, that pump wave packet amplitude to the target resonance under control. The simulations reported here show that the scheme allows for both enhancement and quenching of the resonance survival lifetime, being particularly flexible to achieve large lifetime enhancements. Control effects on the resonance lifetime take place only while the pulse is operating. In addition, the conditions required to generate the two interfering quantum pathways are found to be rather easy to meet for general systems, which makes the experimental implementation straightforward and implies the wide applicability of the control scheme.
Consensus-based distributed cooperative learning from closed-loop neural control systems.
Chen, Weisheng; Hua, Shaoyong; Zhang, Huaguang
2015-02-01
In this paper, the neural tracking problem is addressed for a group of uncertain nonlinear systems where the system structures are identical but the reference signals are different. This paper focuses on studying the learning capability of neural networks (NNs) during the control process. First, we propose a novel control scheme called distributed cooperative learning (DCL) control scheme, by establishing the communication topology among adaptive laws of NN weights to share their learned knowledge online. It is further proved that if the communication topology is undirected and connected, all estimated weights of NNs can converge to small neighborhoods around their optimal values over a domain consisting of the union of all state orbits. Second, as a corollary it is shown that the conclusion on the deterministic learning still holds in the decentralized adaptive neural control scheme where, however, the estimated weights of NNs just converge to small neighborhoods of the optimal values along their own state orbits. Thus, the learned controllers obtained by DCL scheme have the better generalization capability than ones obtained by decentralized learning method. A simulation example is provided to verify the effectiveness and advantages of the control schemes proposed in this paper.
NASA Astrophysics Data System (ADS)
Tan, Xiaoqing; Zhang, Xiaoqian
2016-05-01
We propose two controlled quantum secure communication schemes by entanglement distillation or generalized measurement. The sender Alice, the receiver Bob and the controllers David and Cliff take part in the whole schemes. The supervisors David and Cliff can control the information transmitted from Alice to Bob by adjusting the local measurement angles θ _4 and θ _3. Bob can verify his secret information by classical one-way function after communication. The average amount of information is analyzed and compared for these two methods by MATLAB. The generalized measurement is a better scheme. Our schemes are secure against some well-known attacks because classical encryption and decoy states are used to ensure the security of the classical channel and the quantum channel.
Realization of quantum gates with multiple control qubits or multiple target qubits in a cavity
NASA Astrophysics Data System (ADS)
Waseem, Muhammad; Irfan, Muhammad; Qamar, Shahid
2015-06-01
We propose a scheme to realize a three-qubit controlled phase gate and a multi-qubit controlled NOT gate of one qubit simultaneously controlling n-target qubits with a four-level quantum system in a cavity. The implementation time for multi-qubit controlled NOT gate is independent of the number of qubit. Three-qubit phase gate is generalized to n-qubit phase gate with multiple control qubits. The number of steps reduces linearly as compared to conventional gate decomposition method. Our scheme can be applied to various types of physical systems such as superconducting qubits coupled to a resonator and trapped atoms in a cavity. Our scheme does not require adjustment of level spacing during the gate implementation. We also show the implementation of Deutsch-Joza algorithm. Finally, we discuss the imperfections due to cavity decay and the possibility of physical implementation of our scheme.
Predictive Control of Networked Multiagent Systems via Cloud Computing.
Liu, Guo-Ping
2017-01-18
This paper studies the design and analysis of networked multiagent predictive control systems via cloud computing. A cloud predictive control scheme for networked multiagent systems (NMASs) is proposed to achieve consensus and stability simultaneously and to compensate for network delays actively. The design of the cloud predictive controller for NMASs is detailed. The analysis of the cloud predictive control scheme gives the necessary and sufficient conditions of stability and consensus of closed-loop networked multiagent control systems. The proposed scheme is verified to characterize the dynamical behavior and control performance of NMASs through simulations. The outcome provides a foundation for the development of cooperative and coordinative control of NMASs and its applications.
Kingkaew, Pritaporn; Werayingyong, Pitsaphun; Aye, San San; Tin, Nilar; Singh, Alaka; Myint, Phone; Teerawattananon, Yot
2016-01-01
Reducing child and maternal mortality in order to meet the health-related Millennium Development Goals (MDGs) 4 and 5 remains a major challenge in Myanmar. Inadequate care during pregnancy and labour plays an important role in the maternal mortality rate in Myanmar. A Maternal and Child Health (MCH) Voucher Scheme comprising a subsidization for pregnant women to receive four antenatal care (ANC), delivery and postnatal care (PNC) free-of-charge was planned to help women overcome financial barriers in addition to raising awareness of ANC and delivery with skilled birth attendants (SBA), which can reduce the rate of maternal and neonatal death. This study is part of an ex-ante evaluation of a feasibility study of the MCH Voucher Scheme. A cost-utility analysis was conducted using a decision tree model to assess the cost per disability-adjusted life years (DALYs) averted from the MCH Voucher Scheme compared with the current situation. Most input parameters were obtained from Myanmar context. From the base-case analysis, where the financial burden on households was fully subsidized, the MCH Voucher Scheme increased utilization for ANC from 73% up to 93% and for delivery from SBAs from 51% up to and 71%, respectively; hence, it is considered to be very cost-effective with an incremental cost-effectiveness ratio of 381 027 kyats per DALY averted (2010, price year). From the probabilistic sensitivity analysis, the MCH Voucher Scheme had a 52% chance of being a cost-effective option at 1 GDP per capita threshold compared to the current situation. Given that the Voucher Scheme is currently being implemented in one township in Myanmar as a result of this study, ongoing evaluation of the effectiveness and cost-effectiveness of this scheme is warranted. PMID:26412858
NASA Astrophysics Data System (ADS)
Sachko, A. V.; Zakordonskii, V. P.; Voloshinovskii, A. S.; Golod, T. Yu.
2009-07-01
A complex of physicochemical methods (light scattering, potentiometry, conductometry, viscometry, tensiometry, and fluorescence spectroscopy) were used to show the possibility of formation of intermolecular associates/complexes in systems with likely charged components. The driving forces of such interactions were analyzed and a possible scheme of complex formation between polymethacrylic acid and sodium dodecylbenzenesulfonate was suggested.
NASA Astrophysics Data System (ADS)
Geng, Weihua; Zhao, Shan
2017-12-01
We present a new Matched Interface and Boundary (MIB) regularization method for treating charge singularity in solvated biomolecules whose electrostatics are described by the Poisson-Boltzmann (PB) equation. In a regularization method, by decomposing the potential function into two or three components, the singular component can be analytically represented by the Green's function, while other components possess a higher regularity. Our new regularization combines the efficiency of two-component schemes with the accuracy of the three-component schemes. Based on this regularization, a new MIB finite difference algorithm is developed for solving both linear and nonlinear PB equations, where the nonlinearity is handled by using the inexact-Newton's method. Compared with the existing MIB PB solver based on a three-component regularization, the present algorithm is simpler to implement by circumventing the work to solve a boundary value Poisson equation inside the molecular interface and to compute related interface jump conditions numerically. Moreover, the new MIB algorithm becomes computationally less expensive, while maintains the same second order accuracy. This is numerically verified by calculating the electrostatic potential and solvation energy on the Kirkwood sphere on which the analytical solutions are available and on a series of proteins with various sizes.
A Bunch Compression Method for Free Electron Lasers that Avoids Parasitic Compressions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Benson, Stephen V.; Douglas, David R.; Tennant, Christopher D.
2015-09-01
Virtually all existing high energy (>few MeV) linac-driven FELs compress the electron bunch length though the use of off-crest acceleration on the rising side of the RF waveform followed by transport through a magnetic chicane. This approach has at least three flaws: 1) it is difficult to correct aberrations--particularly RF curvature, 2) rising side acceleration exacerbates space charge-induced distortion of the longitudinal phase space, and 3) all achromatic "negative compaction" compressors create parasitic compression during the final compression process, increasing the CSR-induced emittance growth. One can avoid these deficiencies by using acceleration on the falling side of the RF waveformmore » and a compressor with M 56>0. This approach offers multiple advantages: 1) It is readily achieved in beam lines supporting simple schemes for aberration compensation, 2) Longitudinal space charge (LSC)-induced phase space distortion tends, on the falling side of the RF waveform, to enhance the chirp, and 3) Compressors with M 56>0 can be configured to avoid spurious over-compression. We will discuss this bunch compression scheme in detail and give results of a successful beam test in April 2012 using the JLab UV Demo FEL« less
Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K
2016-07-12
We report the development and implementation of an energy decomposition analysis (EDA) scheme in the ONETEP linear-scaling electronic structure package. Our approach is hybrid as it combines the localized molecular orbital EDA (Su, P.; Li, H. J. Chem. Phys., 2009, 131, 014102) and the absolutely localized molecular orbital EDA (Khaliullin, R. Z.; et al. J. Phys. Chem. A, 2007, 111, 8753-8765) to partition the intermolecular interaction energy into chemically distinct components (electrostatic, exchange, correlation, Pauli repulsion, polarization, and charge transfer). Limitations shared in EDA approaches such as the issue of basis set dependence in polarization and charge transfer are discussed, and a remedy to this problem is proposed that exploits the strictly localized property of the ONETEP orbitals. Our method is validated on a range of complexes with interactions relevant to drug design. We demonstrate the capabilities for large-scale calculations with our approach on complexes of thrombin with an inhibitor comprised of up to 4975 atoms. Given the capability of ONETEP for large-scale calculations, such as on entire proteins, we expect that our EDA scheme can be applied in a large range of biomolecular problems, especially in the context of drug design.
NASA Astrophysics Data System (ADS)
Shi, Yu; Liang, Long; Ge, Hai-Wen; Reitz, Rolf D.
2010-03-01
Acceleration of the chemistry solver for engine combustion is of much interest due to the fact that in practical engine simulations extensive computational time is spent solving the fuel oxidation and emission formation chemistry. A dynamic adaptive chemistry (DAC) scheme based on a directed relation graph error propagation (DRGEP) method has been applied to study homogeneous charge compression ignition (HCCI) engine combustion with detailed chemistry (over 500 species) previously using an R-value-based breadth-first search (RBFS) algorithm, which significantly reduced computational times (by as much as 30-fold). The present paper extends the use of this on-the-fly kinetic mechanism reduction scheme to model combustion in direct-injection (DI) engines. It was found that the DAC scheme becomes less efficient when applied to DI engine simulations using a kinetic mechanism of relatively small size and the accuracy of the original DAC scheme decreases for conventional non-premixed combustion engine. The present study also focuses on determination of search-initiating species, involvement of the NOx chemistry, selection of a proper error tolerance, as well as treatment of the interaction of chemical heat release and the fuel spray. Both the DAC schemes were integrated into the ERC KIVA-3v2 code, and simulations were conducted to compare the two schemes. In general, the present DAC scheme has better efficiency and similar accuracy compared to the previous DAC scheme. The efficiency depends on the size of the chemical kinetics mechanism used and the engine operating conditions. For cases using a small n-heptane kinetic mechanism of 34 species, 30% of the computational time is saved, and 50% for a larger n-heptane kinetic mechanism of 61 species. The paper also demonstrates that by combining the present DAC scheme with an adaptive multi-grid chemistry (AMC) solver, it is feasible to simulate a direct-injection engine using a detailed n-heptane mechanism with 543 species with practical computer time.
Unequal error control scheme for dimmable visible light communication systems
NASA Astrophysics Data System (ADS)
Deng, Keyan; Yuan, Lei; Wan, Yi; Li, Huaan
2017-01-01
Visible light communication (VLC), which has the advantages of a very large bandwidth, high security, and freedom from license-related restrictions and electromagnetic-interference, has attracted much interest. Because a VLC system simultaneously performs illumination and communication functions, dimming control, efficiency, and reliable transmission are significant and challenging issues of such systems. In this paper, we propose a novel unequal error control (UEC) scheme in which expanding window fountain (EWF) codes in an on-off keying (OOK)-based VLC system are used to support different dimming target values. To evaluate the performance of the scheme for various dimming target values, we apply it to H.264 scalable video coding bitstreams in a VLC system. The results of the simulations that are performed using additive white Gaussian noises (AWGNs) with different signal-to-noise ratios (SNRs) are used to compare the performance of the proposed scheme for various dimming target values. It is found that the proposed UEC scheme enables earlier base layer recovery compared to the use of the equal error control (EEC) scheme for different dimming target values and therefore afford robust transmission for scalable video multicast over optical wireless channels. This is because of the unequal error protection (UEP) and unequal recovery time (URT) of the EWF code in the proposed scheme.
Gating capacitive field-effect sensors by the charge of nanoparticle/molecule hybrids.
Poghossian, Arshak; Bäcker, Matthias; Mayer, Dirk; Schöning, Michael J
2015-01-21
The semiconductor field-effect platform is a powerful tool for chemical and biological sensing with direct electrical readout. In this work, the field-effect capacitive electrolyte-insulator-semiconductor (EIS) structure - the simplest field-effect (bio-)chemical sensor - modified with citrate-capped gold nanoparticles (AuNPs) has been applied for a label-free electrostatic detection of charged molecules by their intrinsic molecular charge. The EIS sensor detects the charge changes in AuNP/molecule inorganic/organic hybrids induced by the molecular adsorption or binding events. The feasibility of the proposed detection scheme has been exemplarily demonstrated by realizing capacitive EIS sensors consisting of an Al-p-Si-SiO2-silane-AuNP structure for the label-free detection of positively charged cytochrome c and poly-d-lysine molecules as well as for monitoring the layer-by-layer formation of polyelectrolyte multilayers of poly(allylamine hydrochloride)/poly(sodium 4-styrene sulfonate), representing typical model examples of detecting small proteins and macromolecules and the consecutive adsorption of positively/negatively charged polyelectrolytes, respectively. For comparison, EIS sensors without AuNPs have been investigated, too. The adsorption of molecules on the surface of AuNPs has been verified via the X-ray photoelectron spectroscopy method. In addition, a theoretical model of the functioning of the capacitive field-effect EIS sensor functionalized with AuNP/charged-molecule hybrids has been discussed.
NASA Astrophysics Data System (ADS)
Kononets, Yu. V.
2016-12-01
The presented enhanced version of Eriksen's theorem defines an universal transform of the Foldy-Wouthuysen type and in any external static electromagnetic field (ESEMF) reveals a discrete symmetry of Dirac's equation (DE), responsible for existence of a highly influential conserved quantum number—the charge index distinguishing two branches of DE spectrum. It launches the charge-index formalism (CIF) obeying the charge-index conservation law (CICL). Via its unique ability to manipulate each spectrum branch independently, the CIF creates a perfect charge-symmetric architecture of Dirac's quantum mechanics (DQM), which resolves all the riddles of the standard DE theory (SDET). Besides the abstract CIF algebra, the paper discusses: (1) the novel accurate charge-symmetric definition of the electric-current density; (2) DE in the true-particle representation, where electrons and positrons coexist on equal footing; (3) flawless "natural" scheme of second quantization; and (4) new physical grounds for the Fermi-Dirac statistics. As a fundamental quantum law, the CICL originates from the kinetic-energy sign conservation and leads to a novel single-particle physics in strong-field situations. Prohibiting Klein's tunneling (KT) in Klein's zone via the CICL, the precise CIF algebra defines a new class of weakly singular DE solutions, strictly confined in the coordinate space and experiencing the total reflection from the potential barrier.
A Quantum Proxy Weak Blind Signature Scheme Based on Controlled Quantum Teleportation
NASA Astrophysics Data System (ADS)
Cao, Hai-Jing; Yu, Yao-Feng; Song, Qin; Gao, Lan-Xiang
2015-04-01
Proxy blind signature is applied to the electronic paying system, electronic voting system, mobile agent system, security of internet, etc. A quantum proxy weak blind signature scheme is proposed in this paper. It is based on controlled quantum teleportation. Five-qubit entangled state functions as quantum channel. The scheme uses the physical characteristics of quantum mechanics to implement message blinding, so it could guarantee not only the unconditional security of the scheme but also the anonymity of the messages owner.
Adaptive threshold control for auto-rate fallback algorithm in IEEE 802.11 multi-rate WLANs
NASA Astrophysics Data System (ADS)
Wu, Qilin; Lu, Yang; Zhu, Xiaolin; Ge, Fangzhen
2012-03-01
The IEEE 802.11 standard supports multiple rates for data transmission in the physical layer. Nowadays, to improve network performance, a rate adaptation scheme called auto-rate fallback (ARF) is widely adopted in practice. However, ARF scheme suffers performance degradation in multiple contending nodes environments. In this article, we propose a novel rate adaptation scheme called ARF with adaptive threshold control. In multiple contending nodes environment, the proposed scheme can effectively mitigate the frame collision effect on rate adaptation decision by adaptively adjusting rate-up and rate-down threshold according to the current collision level. Simulation results show that the proposed scheme can achieve significantly higher throughput than the other existing rate adaptation schemes. Furthermore, the simulation results also demonstrate that the proposed scheme can effectively respond to the varying channel condition.
Noiseless Vlasov-Poisson simulations with linearly transformed particles
Pinto, Martin C.; Sonnendrucker, Eric; Friedman, Alex; ...
2014-06-25
We introduce a deterministic discrete-particle simulation approach, the Linearly-Transformed Particle-In-Cell (LTPIC) method, that employs linear deformations of the particles to reduce the noise traditionally associated with particle schemes. Formally, transforming the particles is justified by local first order expansions of the characteristic flow in phase space. In practice the method amounts of using deformation matrices within the particle shape functions; these matrices are updated via local evaluations of the forward numerical flow. Because it is necessary to periodically remap the particles on a regular grid to avoid excessively deforming their shapes, the method can be seen as a development ofmore » Denavit's Forward Semi-Lagrangian (FSL) scheme (Denavit, 1972 [8]). However, it has recently been established (Campos Pinto, 2012 [20]) that the underlying Linearly-Transformed Particle scheme converges for abstract transport problems, with no need to remap the particles; deforming the particles can thus be seen as a way to significantly lower the remapping frequency needed in the FSL schemes, and hence the associated numerical diffusion. To couple the method with electrostatic field solvers, two specific charge deposition schemes are examined, and their performance compared with that of the standard deposition method. Finally, numerical 1d1v simulations involving benchmark test cases and halo formation in an initially mismatched thermal sheet beam demonstrate some advantages of our LTPIC scheme over the classical PIC and FSL methods. Lastly, benchmarked test cases also indicate that, for numerical choices involving similar computational effort, the LTPIC method is capable of accuracy comparable to or exceeding that of state-of-the-art, high-resolution Vlasov schemes.« less
a Thtee-Dimensional Variational Assimilation Scheme for Satellite Aod
NASA Astrophysics Data System (ADS)
Liang, Y.; Zang, Z.; You, W.
2018-04-01
A three-dimensional variational data assimilation scheme is designed for satellite AOD based on the IMPROVE (Interagency Monitoring of Protected Visual Environments) equation. The observation operator that simulates AOD from the control variables is established by the IMPROVE equation. All of the 16 control variables in the assimilation scheme are the mass concentrations of aerosol species from the Model for Simulation Aerosol Interactions and Chemistry scheme, so as to take advantage of this scheme in providing comprehensive analyses of species concentrations and size distributions as well as be calculating efficiently. The assimilation scheme can save computational resources as the IMPROVE equation is a quadratic equation. A single-point observation experiment shows that the information from the single-point AOD is effectively spread horizontally and vertically.
Active control of the lifetime of excited resonance states by means of laser pulses.
García-Vela, A
2012-04-07
Quantum control of the lifetime of a system in an excited resonance state is investigated theoretically by creating coherent superpositions of overlapping resonances. This control scheme exploits the quantum interference occurring between the overlapping resonances, which can be controlled by varying the width of the laser pulse that creates the superposition state. The scheme is applied to a realistic model of the Br(2)(B)-Ne predissociation decay dynamics through a three-dimensional wave packet method. It is shown that extensive control of the system lifetime is achievable, both enhancing and damping it remarkably. An experimental realization of the control scheme is suggested.
Zhang, Daoyu; Yang, Minnan
2013-11-14
The advantages of one-dimensional nanostructures, such as excellent charge separation and charge transport, low charge carrier recombination losses and so on, render them the photocatalysts of choice for many applications that exploit solar energy. In this work, based on very recently synthesized ultrathin anatase TiO2 nanowires, we explore the possibility of these wires as photocatalysts for photoelectrochemical water-splitting via the mono-doping (C, N, V, and Cr) and n-p codoping (C&V, C&Cr, N&V, and N&Cr) schemes. Our first-principles calculations predict that the C&Cr and C&V codoped ANWs may be strong candidates for photoelectrochemical water-splitting, because they have a substantially reduced band gap of 2.49 eV, appropriate band edge positions, no carrier recombination centers, and enhanced optical absorption in the visible light region.
Analysis and design of digital output interface devices for gas turbine electronic controls
NASA Technical Reports Server (NTRS)
Newirth, D. M.; Koenig, E. W.
1976-01-01
A trade study was performed on twenty-one digital output interface schemes for gas turbine electronic controls to select the most promising scheme based on criteria of reliability, performance, cost, and sampling requirements. The most promising scheme, a digital effector with optical feedback of the fuel metering valve position, was designed.
New User Support in the University Network with DACS Scheme
ERIC Educational Resources Information Center
Odagiri, Kazuya; Yaegashi, Rihito; Tadauchi, Masaharu; Ishii, Naohiro
2007-01-01
Purpose: The purpose of this paper is to propose and examine the new user support in university network. Design/methodology/approach: The new user support is realized by use of DACS (Destination Addressing Control System) Scheme which manages a whole network system through communication control on a client computer. This DACS Scheme has been…
Adaptive powertrain control for plugin hybrid electric vehicles
Kedar-Dongarkar, Gurunath; Weslati, Feisel
2013-10-15
A powertrain control system for a plugin hybrid electric vehicle. The system comprises an adaptive charge sustaining controller; at least one internal data source connected to the adaptive charge sustaining controller; and a memory connected to the adaptive charge sustaining controller for storing data generated by the at least one internal data source. The adaptive charge sustaining controller is operable to select an operating mode of the vehicle's powertrain along a given route based on programming generated from data stored in the memory associated with that route. Further described is a method of adaptively controlling operation of a plugin hybrid electric vehicle powertrain comprising identifying a route being traveled, activating stored adaptive charge sustaining mode programming for the identified route and controlling operation of the powertrain along the identified route by selecting from a plurality of operational modes based on the stored adaptive charge sustaining mode programming.
Intelligent electric vehicle charging: Rethinking the valley-fill
NASA Astrophysics Data System (ADS)
Valentine, Keenan; Temple, William G.; Zhang, K. Max
This study proposes an intelligent PEV charging scheme that significantly reduces power system cost while maintaining reliability compared to the widely discussed valley-fill method of aggregated charging in the early morning. This study considers optimal PEV integration into the New York Independent System Operator's (NYISO) day-ahead and real-time wholesale energy markets for 21 days in June, July, and August of 2006, a record-setting summer for peak load. NYISO market and load data is used to develop a statistical Locational Marginal Price (LMP) and wholesale energy cost model. This model considers the high cost of ramping generators at peak-load and the traditional cost of steady-state operation, resulting in a framework with two competing cost objectives. Results show that intelligent charging assigns roughly 80% of PEV load to valley hours to take advantage of low steady-state cost, while placing the remaining 20% equally at shoulder and peak hours to reduce ramping cost. Compared to unregulated PEV charging, intelligent charging reduces system cost by 5-16%; a 4-9% improvement over the flat valley-fill approach. Moreover, a Charge Flexibility Constraint (CFC), independent of market modeling, is constructed from a vehicle-at-home profile and the mixture of Level 1 and Level 2 charging infrastructure. The CFC is found to severely restrict the ability to charge vehicles during the morning load valley. This study further shows that adding more Level 2 chargers without regulating PEV charging will significantly increase wholesale energy cost. Utilizing the proposed intelligent PEV charging method, there is a noticeable reduction in system cost if the penetration of Level 2 chargers is increased from 70/30 to 50/50 (Level 1/Level 2). However, the system benefit is drastically diminished for higher penetrations of Level 2 chargers.
Functionalized nanoparticle interactions with polymeric membranes
Ladner, D.A.; Steele, M.; Weir, A.; Hristovski, K.; Westerhoff, P.
2011-01-01
A series of experiments was performed to measure the retention of a class of functionalized nanoparticles (NPs) onporous (microfiltration and ultrafiltration) membranes. The findings impact engineered water and wastewater treatment using membrane technology, characterization and analytical schemes for NP detection, and the use of NPs in waste treatment scenarios. The NPs studied were composed of silver, titanium dioxide, and gold; had organic coatings to yield either positive or negative surface charge; and were between 2 and 10 nm in diameter. NP solutions were applied to polymeric membranes composed of different materials and pore sizes (ranging from ~2 nm [3 kDa molecular weight cutoff] to 0.2 μm). Greater than 99% rejection was observed of positively charged NPs by negatively charged membranes even though pore diameters were up to 20 times the NP diameter; thus, sorption caused rejection. Negatively charged NPs were less well rejected, but behavior was dependant not only on surface functionality but on NP core material (Ag, TiO2, or Au). NP rejection depended more upon NP properties than membrane properties; all of the negatively charged polymeric membranes behaved similarly. The NP-membrane interaction behavior fell into four categories, which are defined and described here. PMID:22177020
Control Of A Serpentine Robot For Inspection Tasks
NASA Technical Reports Server (NTRS)
Seraji, Homayoun; Colbaugh, Richard D.; Glass, Kristin L.
1996-01-01
Efficient, robust kinematic control scheme developed to control serpentine robot designed to inspect complex structure. Takes full advantage of multiple redundant degrees of freedom of robot to provide considerable dexterity for maneuvering through workspace cluttered with stationary obstacles at initially unknown positions. Control scheme produces slithering motion.
Battery charge regulator is coulometer controlled
NASA Technical Reports Server (NTRS)
Paulkovich, J.
1967-01-01
Coulometer controlled battery charge regulator controls nickel/cadmium type primary cells used in space applications. The use of the coulometer as an ampere hour measuring device permits all available current to go to the battery until full charge state is reached, at which time the charge rate is automatically reduced.
Reactive Blast Waves from Composite Charges
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kuhl, A L; Bell, J B; Beckner, V E
2009-10-16
Investigated here is the performance of composite explosives - measured in terms of the blast wave they drive into the surrounding environment. The composite charge configuration studied here was a spherical booster (1/3 charge mass), surrounded by aluminum (Al) powder (2/3 charge mass) at an initial density of {rho}{sub 0} = 0.604 g/cc. The Al powder acts as a fuel but does not detonate - thereby providing an extreme example of a 'non-ideal' explosive (where 2/3 of the charge does not detonate). Detonation of the booster charge creates a blast wave that disperses the Al powder and ignites the ensuingmore » Al-air mixture - thereby forming a two-phase combustion cloud embedded in the explosion. Afterburning of the booster detonation products with air also enhances and promotes the Al-air combustion process. Pressure waves from such reactive blast waves have been measured in bomb calorimeter experiments. Here we describe numerical simulations of those experiments. A Heterogeneous Continuum Model was used to model the dispersion and combustion of the Al particle cloud. It combines the gasdynamic conservation laws for the gas phase with a dilute continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models of Khasainov. It incorporates a combustion model based on mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gasdynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takes into account both the afterburning of the detonation products of the booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Adaptive Mesh Refinement (AMR) was used to capture the energy-bearing scales of the turbulent flow on the computational grid, and to track/resolve reaction zones. Numerical simulations of the explosion fields from 1.5-g and 10-kg composite charges were performed. Computed pressure histories (red curve) are compared with measured waveforms (black curves) in Fig. 1. Comparison of these results with a waveform for a non-combustion case in nitrogen (blue curve) demonstrates that a reactive blast wave was formed. Cross-sectional views of the temperature field at various times are presented in Fig. 2, which shows that the flow is turbulent. Initially, combustion occurs at the fuel-air interface, and the energy release rate is controlled by the rate of turbulent mixing. Eventually, oxidizer becomes distributed throughout the cloud via ballistic mixing of the particles with air; energy release then occurs in a distributed combustion mode, and Al particle kinetics controls the energy release rate. Details of the Heterogeneous Continuum Model and results of the numerical simulations of composite charge explosions will be described in the paper.« less
NASA Astrophysics Data System (ADS)
Bhattacharjee, Rahul; Chattopadhyaya, Surya
2017-09-01
The effects of doping of Ca atom(s) on structural, electronic and optical properties of binary strontium chalcogenide semiconductor compounds have been investigated theoretically using DFT based FP-LAPW approach by modeling the rock-salt (B1) ternary alloys CaxSr1-xS, CaxSr1-xSe and CaxSr1-xTe at some specific concentrations 0 ≤ x ≤ 1 and studying their aforesaid properties. The exchange-correlation potentials for their structural properties have been computed using the Wu-Cohen generalized-gradient approximation (WC-GGA) scheme, while those for the electronic and optical properties have been computed using recently developed Tran-Blaha modified Becke-Johnson (TB-mBJ) scheme. In addition, we have computed the electronic and optical properties with the traditional BLYP and PBE-GGA schemes for comparison. The atomic and orbital origin of different electronic states in the band structure of each of the compounds have been identified from the respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and ternary alloys have been investigated theoretically in terms of their respective dielectric function, refractive index, normal incidence reflectivity and optical conductivity. Several calculated results have been compared with available experimental and other theoretical data.
Cyber and physical equipment digital control system in Industry 4.0 item designing company
NASA Astrophysics Data System (ADS)
Gurjanov, A. V.; Zakoldaev, D. A.; Shukalov, A. V.; Zharinov, I. O.
2018-05-01
The problem of organization of digital control of the item designing company equipped with cyber and physical systems is being studied. A scheme of cyber and physical systems and personnel interaction in the Industry 4.0 smart factory company is presented. A scheme of assembly units transportation in the Industry 4.0 smart factory company is provided. A scheme of digital control system in the Industry 4.0 smart factory company is given.
Enhanced Photoelectrochemical Performance of Cuprous Oxide/Graphene Nanohybrids
2017-01-01
Combination of an oxide semiconductor with a highly conductive nanocarbon framework (such as graphene or carbon nanotubes) is an attractive avenue to assemble efficient photoelectrodes for solar fuel generation. To fully exploit the possible synergies of the hybrid formation, however, precise knowledge of these systems is required to allow rational design and morphological engineering. In this paper, we present the controlled electrochemical deposition of nanocrystalline p-Cu2O on the surface of different graphene substrates. The developed synthetic protocol allowed tuning of the morphological features of the hybrids as deduced from electron microscopy. (Photo)electrochemical measurements (including photovoltammetry, electrochemical impedance spectroscopy, photocurrent transient analysis) demonstrated better performance for the 2D graphene containing photoelectrodes, compared to the bare Cu2O films, the enhanced performance being rooted in suppressed charge carrier recombination. To elucidate the precise role of graphene, comparative studies were performed with carbon nanotube (CNT) films and 3D graphene foams. These studies revealed, after allowing for the effect of increased surface area, that the 3D graphene substrate outperformed the other two nanocarbons. Its interconnected structure facilitated effective charge separation and transport, leading to better harvesting of the generated photoelectrons. These hybrid assemblies are shown to be potentially attractive candidates in photoelectrochemical energy conversion schemes, namely CO2 reduction. PMID:28460518
NASA Astrophysics Data System (ADS)
Santos, Joao
2017-10-01
Powerful laser-plasma processes are explored to generate discharge currents of a few 100 kA in coil targets, yielding magnetostatic fields (B-fields) in the kTesla range. The B-fields are measured by proton-deflectometry and high-frequency bandwidth B-dot probes. According to our modeling, the quasi-static currents are provided from hot electron ejection from the laser-irradiated surface, accounting for the space charge neutralization and the plasma magnetization. The major control parameter is the laser irradiance Iλ2 . The B-fields ns-scale is long enough to magnetize secondary targets through resistive diffusion. We applied it in experiments of laser-generated relativistic electron transport into solid dielectric targets, yielding an unprecedented enhancement of a factor 5 on the energy-density flux at 60 µm depth, compared to unmagnetized transport conditions. These studies pave the ground for magnetized high-energy density physics investigations, related to laser-generated secondary sources of radiation and/or high-energy particles and their transport, to high-gain fusion energy schemes and to laboratory astrophysics. We acknowledge funding from French National Agency for Research (ANR), Grant TERRE ANR-2011-BS04-014, and from EUROfusion Consortium, European Union's Horizon 2020 research and innovation programme, Grant 633053.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Park, Changwon; Rojas, Geoffrey A.; Jeon, Seokmin
2014-09-19
The energy scales of interactions that control molecular adsorption and assembly on surfaces can vary by several orders of magnitude, yet the importance of each contributing interaction is not apparent a priori. Tetracyanoquinodimethane (TCNQ) is an archetypal electron acceptor molecule and it is a key component of organic metals. On metal surfaces, this molecule also acts as an electron acceptor, producing negatively charged adsorbates. It is therefore rather intriguing to observe attractive molecular interactions in this system that were reported previously for copper and silver surfaces. In this paper, our experiments compared TCNQ adsorption on noble metal surfaces of Ag(100)more » and Ag(111). In both cases we found net attractive interactions down to the lowest coverage. However, the morphology of the assemblies was strikingly different, with two-dimensional islands on Ag(100) and one-dimensional chains on Ag(111) surfaces. This observation suggests that the registry effect governed by the molecular interaction with the underlying lattice potential is critical in determining the dimensionality of the molecular assembly. Using first-principles density functional calculations with a van der Waals correction scheme, we revealed that the strengths of major interactions (i.e., lattice potential corrugation, intermolecular attraction, and charge-transfer-induced repulsion) are all similar in energy. The van der Waals interactions, in particular, almost double the strength of attractive interactions, making the intermolecular potential comparable in strength to the diffusion potential and promoting self-assembly. However, it is the anisotropy of local intermolecular interactions that is primarily responsible for the difference in the topology of the molecular islands on Ag(100) and Ag(111) surfaces. Finally, we anticipate that the intermolecular potential will become more attractive and dominant over the diffusion potential with increasing molecular size, providing new design strategies for the structure and charge transfer within molecular layers.« less
NASA Astrophysics Data System (ADS)
Manna, Arun K.; Dunietz, Barry D.
2014-09-01
We investigate photoinduced charge transfer (CT) processes within dyads consisting of porphyrin derivatives in which one ring ligates a Zn metal center and where the rings vary by their degree of conjugation. Using a first-principles approach, we show that molecular-scale means can tune CT rates through stabilization affected by the polar environment. Such means of CT tuning are important for achieving high efficiency optoelectronic applications using organic semiconducting materials. Our fully quantum mechanical scheme is necessary for reliably modeling the CT process across different regimes, in contrast to the pervading semi-classical Marcus picture that grossly underestimates transfer in the far-inverted regime.
Al-Hashimi, Nessreen A; Hussein, Yasser H A
2010-01-01
The charge transfer (CT) interaction between iodine and 2,3-diaminopyridine (DAPY) has been thoroughly investigated via theoretical calculations. A Hartree-Fock, 3-21G level of theory was used to optimize and calculate the Mullican charge distribution scheme as well as the vibrational frequencies of DAPY alone and both its CT complexes with one and two iodine molecules. A very good agreement was found between experiment and theory. New illustrations were concluded with a deep analysis and description for the vibrational frequencies of the formed CT complexes. The two-step CT complex formation mechanism published earlier was supported. Copyright 2009 Elsevier B.V. All rights reserved.
Electrochemically controlled charging circuit for storage batteries
Onstott, E.I.
1980-06-24
An electrochemically controlled charging circuit for charging storage batteries is disclosed. The embodiments disclosed utilize dc amplification of battery control current to minimize total energy expended for charging storage batteries to a preset voltage level. The circuits allow for selection of Zener diodes having a wide range of reference voltage levels. Also, the preset voltage level to which the storage batteries are charged can be varied over a wide range.
Niu, Jie; Yang, Qianqian; Wang, Xiaoyun; Song, Rong
2017-01-01
Robot-aided rehabilitation has become an important technology to restore and reinforce motor functions of patients with extremity impairment, whereas it can be extremely challenging to achieve satisfactory tracking performance due to uncertainties and disturbances during rehabilitation training. In this paper, a wire-driven rehabilitation robot that can work over a three-dimensional space is designed for upper-limb rehabilitation, and sliding mode control with nonlinear disturbance observer is designed for the robot to deal with the problem of unpredictable disturbances during robot-assisted training. Then, simulation and experiments of trajectory tracking are carried out to evaluate the performance of the system, the position errors, and the output forces of the designed control scheme are compared with those of the traditional sliding mode control (SMC) scheme. The results show that the designed control scheme can effectively reduce the tracking errors and chattering of the output forces as compared with the traditional SMC scheme, which indicates that the nonlinear disturbance observer can reduce the effect of unpredictable disturbances. The designed control scheme for the wire-driven rehabilitation robot has potential to assist patients with stroke in performing repetitive rehabilitation training.
ECG compression using non-recursive wavelet transform with quality control
NASA Astrophysics Data System (ADS)
Liu, Je-Hung; Hung, King-Chu; Wu, Tsung-Ching
2016-09-01
While wavelet-based electrocardiogram (ECG) data compression using scalar quantisation (SQ) yields excellent compression performance, a wavelet's SQ scheme, however, must select a set of multilevel quantisers for each quantisation process. As a result of the properties of multiple-to-one mapping, however, this scheme is not conducive for reconstruction error control. In order to address this problem, this paper presents a single-variable control SQ scheme able to guarantee the reconstruction quality of wavelet-based ECG data compression. Based on the reversible round-off non-recursive discrete periodised wavelet transform (RRO-NRDPWT), the SQ scheme is derived with a three-stage design process that first uses genetic algorithm (GA) for high compression ratio (CR), followed by a quadratic curve fitting for linear distortion control, and the third uses a fuzzy decision-making for minimising data dependency effect and selecting the optimal SQ. The two databases, Physikalisch-Technische Bundesanstalt (PTB) and Massachusetts Institute of Technology (MIT) arrhythmia, are used to evaluate quality control performance. Experimental results show that the design method guarantees a high compression performance SQ scheme with statistically linear distortion. This property can be independent of training data and can facilitate rapid error control.
2014-01-15
in a Light Duty Engine Under Conventional Diesel, Homogeneous Charge Compression Ignition , and Reactivity Controlled Compression Ignition ...Conventional Diesel (CDC), Homogeneous Charge Compression Ignition (HCCI), and Reactivity Controlled Compression Ignition (RCCI) combustion...LTC) regimes, including reactivity controlled compression ignition (RCCI), partially premixed combustion (PPC), and homogenous charge compression
Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko
2010-01-01
Abstract Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs and displayed one-dimensional Brownian motion in a charge-dependent manner, which indicates that nonspecific electrostatic interaction is sufficient for one-dimensional Brownian motion. The diffusion coefficient decreased exponentially with an increasing particle charge (with the exponent being 0.10 kBT per charge), whereas the duration of the interaction increased exponentially (exponent of 0.22 kBT per charge). These results can be explained semiquantitatively if one assumes that a particle repeats a cycle of binding to and movement along an MT until it finally dissociates from the MT. During the movement, a particle is still electrostatically constrained in the potential valley surrounding the MT. This entire process can be described by a three-state model analogous to the Michaelis-Menten scheme, in which the two parameters of the equilibrium constant between binding and movement, and the rate of dissociation from the MT, are derived as a function of the particle charge density. This study highlights the possibility that the weak binding interactions between proteins and rodlike polymers, e.g., MTs, are mediated by a similar, nonspecific charge-dependent mechanism. PMID:20409479
Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko
2010-04-21
Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs and displayed one-dimensional Brownian motion in a charge-dependent manner, which indicates that nonspecific electrostatic interaction is sufficient for one-dimensional Brownian motion. The diffusion coefficient decreased exponentially with an increasing particle charge (with the exponent being 0.10 kBT per charge), whereas the duration of the interaction increased exponentially (exponent of 0.22 kBT per charge). These results can be explained semiquantitatively if one assumes that a particle repeats a cycle of binding to and movement along an MT until it finally dissociates from the MT. During the movement, a particle is still electrostatically constrained in the potential valley surrounding the MT. This entire process can be described by a three-state model analogous to the Michaelis-Menten scheme, in which the two parameters of the equilibrium constant between binding and movement, and the rate of dissociation from the MT, are derived as a function of the particle charge density. This study highlights the possibility that the weak binding interactions between proteins and rodlike polymers, e.g., MTs, are mediated by a similar, nonspecific charge-dependent mechanism. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Pfeiffer, P.; Egusquiza, I. L.; Di Ventra, M.; ...
2016-07-06
Technology based on memristors, resistors with memory whose resistance depends on the history of the crossing charges, has lately enhanced the classical paradigm of computation with neuromorphic architectures. However, in contrast to the known quantized models of passive circuit elements, such as inductors, capacitors or resistors, the design and realization of a quantum memristor is still missing. Here, we introduce the concept of a quantum memristor as a quantum dissipative device, whose decoherence mechanism is controlled by a continuous-measurement feedback scheme, which accounts for the memory. Indeed, we provide numerical simulations showing that memory effects actually persist in the quantummore » regime. Our quantization method, specifically designed for superconducting circuits, may be extended to other quantum platforms, allowing for memristor-type constructions in different quantum technologies. As a result, the proposed quantum memristor is then a building block for neuromorphic quantum computation and quantum simulations of non-Markovian systems.« less
Bioactive and Porous Metal Coatings for Improved Tissue Regeneration
DOE Office of Scientific and Technical Information (OSTI.GOV)
Campbell, A. A.
Our first objective was to develop the SIM process for the deposition of calcium phosphate films. This process is based on the observation that, in nature, living organisms use macromolecules to control the nucleation and growth of mineral phases. These macromolecules act as templates where various charged functional groups, contained within the molecule, can interact with the ions in the surrounding media, thus stimulating crystal nucleation and growth. Rather than using complex proteins or biopolymers, surface modification schemes were developed to place simple functional groups on the underlying substrate using self-assembling monolayers. Once the substrate was chemically modified, it wasmore » then placed into an aqueous solution containing soluble precursors of the desired mineral coating. Solution pH, ionic concentration and temperature is maintained in a regime where the solution is supersaturated with respect to the desired mineral phase, thereby creating the driving force for nucleation and growth.« less
Separation of carbohydrates using hydrophilic interaction liquid chromatography.
Fu, Qing; Liang, Tu; Li, Zhenyu; Xu, Xiaoyong; Ke, Yanxiong; Jin, Yu; Liang, Xinmiao
2013-09-20
A strategy was developed to rapidly evaluate chromatographic properties of hydrophilic interaction chromatography (HILIC) columns for separating carbohydrates. Seven HILIC columns (Silica, Diol, TSK Amide-80, XAmide, Click Maltose, Click β-CD, and Click TE-Cys columns) were evaluated by using three monosaccharide and seven disaccharides as probes. The influence of column temperature on the peak shape and tautomerization of carbohydrates, as well as column selectivity were investigated. The influence of surface charge property on the retention was also studied by using glucose, glucuronic acid, and glucosamine, which indicated that buffer salt concentration and pH value in mobile phase was necessary to control the ionic interactions between ionic carbohydrates and HILIC columns. According to evaluation results, the XAmide column was selected as an example to establish experimental schemes for separation of complex mixtures of oligosaccharide. Copyright © 2013 Elsevier Ltd. All rights reserved.
Adaptive control strategies for flexible robotic arm
NASA Technical Reports Server (NTRS)
Bialasiewicz, Jan T.
1993-01-01
The motivation of this research came about when a neural network direct adaptive control scheme was applied to control the tip position of a flexible robotic arm. Satisfactory control performance was not attainable due to the inherent non-minimum phase characteristics of the flexible robotic arm tip. Most of the existing neural network control algorithms are based on the direct method and exhibit very high sensitivity if not unstable closed-loop behavior. Therefore a neural self-tuning control (NSTC) algorithm is developed and applied to this problem and showed promising results. Simulation results of the NSTC scheme and the conventional self-tuning (STR) control scheme are used to examine performance factors such as control tracking mean square error, estimation mean square error, transient response, and steady state response.
NASA Astrophysics Data System (ADS)
Li, Changgang; Sun, Yanli; Yu, Yawei
2017-05-01
Under frequency load shedding (UFLS) is an important measure to tackle with frequency drop caused by load-generation imbalance. In existing schemes, loads are shed by relays in a discontinuous way, which is the major reason leading to under-shedding and over-shedding problems. With the application of power electronics technology, some loads can be controlled continuously, and it is possible to improve the UFSL with continuous loads. This paper proposes an UFLS scheme by shedding loads continuously. The load shedding amount is proportional to frequency deviation before frequency reaches its minimum during transient process. The feasibility of the proposed scheme is analysed with analytical system frequency response model. The impacts of governor droop, system inertia, and frequency threshold on the performance of the proposed UFLS scheme are discussed. Cases are demonstrated to validate the proposed scheme by comparing it with conventional UFLS schemes.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Usman, Yasir; Kim, Jinho; Muljadi, Eduard
Wake effects cause wind turbine generators (WTGs) within a wind power plant (WPP) to produce different levels of active power and subsequent reactive power capabilities. Further, the impedance between a WTG and the point of interconnection (POI)-which depends on the distance between them-impacts the WPP's reactive power injection capability at the POI. This paper proposes a voltage control scheme for a WPP based on the available reactive current of the doubly-fed induction generators (DFIGs) and its impacts on the POI to improve the reactive power injection capability of the WPP. In this paper, a design strategy for modifying the gainmore » of DFIG controller is suggested and the comprehensive properties of these control gains are investigated. In the proposed scheme, the WPP controller, which operates in a voltage control mode, sends the command signal to the DFIGs based on the voltage difference at the POI. The DFIG controllers, which operate in a voltage control mode, employ a proportional controller with a limiter. The gain of the proportional controller is adjusted depending on the available reactive current of the DFIG and the series impedance between the DFIG and the POI. The performance of the proposed scheme is validated for various disturbances such as a reactive load connection and grid fault using an EMTP-RV simulator. Furthermore, simulation results demonstrate that the proposed scheme promptly recovers the POI voltage by injecting more reactive power after a disturbance than the conventional scheme.« less
NASA Astrophysics Data System (ADS)
Wu, Haijun; Li, Chunmei; Che, Huinan; Hu, Hao; Hu, Wei; Liu, Chunbo; Ai, Junzhe; Dong, Hongjun
2018-05-01
The Co3O4/g-C3N4 Z-scheme system is constructed by decoration of mesoporous Co3O4 nanospheres assembled by monocrystal nanodots on the surface of g-C3N4, which dramatically improves the photocatalytic activity for degrading tetracycline hydrochloride (TC) compared with single g-C3N4. The microstructure investigations evidence the mesoporous structure and enlarged specific surface area of Co3O4/g-C3N4 Z-scheme system, which implies the increase of surface active sites and adsorption ability for reactant molecules. Moreover, by virtue of analyzing physical and photoelectrochemical properties, it evidences that the decoration effect of mesoporous Co3O4 nanospheres on the surface of g-C3N4 obviously improves the transfer and separation efficiency of charge carriers between two phase interfaces and broadens light harvest range. These important factors are beneficial to enhancing photocatalytic activity of Co3O4/g-C3N4 Z-scheme system. In addition, the photocatalityc reaction mechanism is also revealed in depth.
Lee, Jungwook; Chung, Kwangsue
2011-01-01
Wireless sensor networks collect data from several nodes dispersed at remote sites. Sensor nodes can be installed in harsh environments such as deserts, cities, and indoors, where the link quality changes considerably over time. Particularly, changes in transmission power may be caused by temperature, humidity, and other factors. In order to compensate for link quality changes, existing schemes detect the link quality changes between nodes and control transmission power through a series of feedback processes, but these approaches can cause heavy overhead with the additional control packets needed. In this paper, the change of the link quality according to temperature is examined through empirical experimentation. A new power control scheme combining both temperature-aware link quality compensation and a closed-loop feedback process to adapt to link quality changes is proposed. We prove that the proposed scheme effectively adapts the transmission power to the changing link quality with less control overhead and energy consumption.
Linear and nonlinear schemes applied to pitch control of wind turbines.
Geng, Hua; Yang, Geng
2014-01-01
Linear controllers have been employed in industrial applications for many years, but sometimes they are noneffective on the system with nonlinear characteristics. This paper discusses the structure, performance, implementation cost, advantages, and disadvantages of different linear and nonlinear schemes applied to the pitch control of the wind energy conversion systems (WECSs). The linear controller has the simplest structure and is easily understood by the engineers and thus is widely accepted by the industry. In contrast, nonlinear schemes are more complicated, but they can provide better performance. Although nonlinear algorithms can be implemented in a powerful digital processor nowadays, they need time to be accepted by the industry and their reliability needs to be verified in the commercial products. More information about the system nonlinear feature is helpful to simplify the controller design. However, nonlinear schemes independent of the system model are more robust to the uncertainties or deviations of the system parameters.
Perfectly matched layers in a divergence preserving ADI scheme for electromagnetics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kraus, C.; ETH Zurich, Chair of Computational Science, 8092 Zuerich; Adelmann, A., E-mail: andreas.adelmann@psi.ch
For numerical simulations of highly relativistic and transversely accelerated charged particles including radiation fast algorithms are needed. While the radiation in particle accelerators has wavelengths in the order of 100 {mu}m the computational domain has dimensions roughly five orders of magnitude larger resulting in very large mesh sizes. The particles are confined to a small area of this domain only. To resolve the smallest scales close to the particles subgrids are envisioned. For reasons of stability the alternating direction implicit (ADI) scheme by Smithe et al. [D.N. Smithe, J.R. Cary, J.A. Carlsson, Divergence preservation in the ADI algorithms for electromagnetics,more » J. Comput. Phys. 228 (2009) 7289-7299] for Maxwell equations has been adopted. At the boundary of the domain absorbing boundary conditions have to be employed to prevent reflection of the radiation. In this paper we show how the divergence preserving ADI scheme has to be formulated in perfectly matched layers (PML) and compare the performance in several scenarios.« less
Realizing Ultrafast Electron Pulse Self-Compression by Femtosecond Pulse Shaping Technique.
Qi, Yingpeng; Pei, Minjie; Qi, Dalong; Yang, Yan; Jia, Tianqing; Zhang, Shian; Sun, Zhenrong
2015-10-01
Uncorrelated position and velocity distribution of the electron bunch at the photocathode from the residual energy greatly limit the transverse coherent length and the recompression ability. Here we first propose a femtosecond pulse-shaping method to realize the electron pulse self-compression in ultrafast electron diffraction system based on a point-to-point space-charge model. The positively chirped femtosecond laser pulse can correspondingly create the positively chirped electron bunch at the photocathode (such as metal-insulator heterojunction), and such a shaped electron pulse can realize the self-compression in the subsequent propagation process. The greatest advantage for our proposed scheme is that no additional components are introduced into the ultrafast electron diffraction system, which therefore does not affect the electron bunch shape. More importantly, this scheme can break the limitation that the electron pulse via postphotocathode static compression schemes is not shorter than the excitation laser pulse due to the uncorrelated position and velocity distribution of the initial electron bunch.
On-Orbit 3-Dimensional Electrostatic Detumble for Generic Spacecraft Geometries
NASA Astrophysics Data System (ADS)
Bennett, Trevor J.
In recent years, there is a growing interest in active debris removal and on-orbit servicing of Earth orbiting assets. The growing need for such approaches is often exemplified by the Iridium-Kosmos collision in 2009 that generated thousands of debris fragments. There exists a variety of active debris removal and on-orbit servicing technologies in development. Conventional docking mechanisms and mechanical capture by actuated manipulators, exemplified by NASA's Restore-L mission, require slow target tumble rates or more aggressive circumnavigation rate matching. The tumble rate limitations can be overcome with flexible capture systems such nets, harpoons, or tethers yet these systems require complex deployment, towing, and/or interfacing strategies to avoid servicer and target damage. Alternatively, touchless methods overcome the tumble rate limitations by provide detumble control prior to a mechanical interface. This thesis explores electrostatic detumble technology to touchlessly reduce large target rotation rates of Geostationary satellites and debris. The technical challenges preceding flight implementation largely reside in the long-duration formation flying guidance, navigation, and control of a servicer spacecraft equipped with electrostatic charge transfer capability. Leveraging prior research into the electrostatic charging of spacecraft, electrostatic detumble control formulations are developed for both axisymmetric and generic target geometries. A novel relative position vector and associated relative orbit control approach is created to manage the long-duration proximity operations. Through detailed numerical simulations, the proposed detumble and relative motion control formulations demonstrate detumble of several thousand kilogram spacecraft tumbling at several degrees per second in only several days. The availability, either through modeling or sensing, of the relative attitude, relative position, and electrostatic potential are among key concerns with implementation of electrostatic detumble control on-orbit. Leveraging an extended Kalman filter scheme, the relative position information is readily obtained. In order to touchlessly acquire the target electrostatic potential, a nested two-time scale Kalman filter is employed to provide real-time estimates of both relative position and electrostatic potential while on-orbit. The culmination of the presented control formulations for generic spacecraft geometries, the proximity and formation flying control capability, and the availability of necessary state information provide significant contributions towards the viability of electrostatic detumble mission concepts.
Data Gathering and Energy Transfer Dilemma in UAV-Assisted Flying Access Network for IoT.
Arabi, Sara; Sabir, Essaid; Elbiaze, Halima; Sadik, Mohamed
2018-05-11
Recently, Unmanned Aerial Vehicles (UAVs) have emerged as an alternative solution to assist wireless networks, thanks to numerous advantages they offer in comparison to terrestrial fixed base stations. For instance, a UAV can be used to embed a flying base station providing an on-demand nomadic access to network services. A UAV can also be used to wirelessly recharge out-of-battery ground devices. In this paper, we aim to deal with both data collection and recharging depleted ground Internet-of-Things (IoT) devices through a UAV station used as a flying base station. To extend the network lifetime, we present a novel use of UAV with energy harvesting module and wireless recharging capabilities. However, the UAV is used as an energy source to empower depleted IoT devices. On one hand, the UAV charges depleted ground IoT devices under three policies: (1) low-battery first scheme; (2) high-battery first scheme; and (3) random scheme. On the other hand, the UAV station collects data from IoT devices that have sufficient energy to transmit their packets, and in the same phase, the UAV exploits the Radio Frequency (RF) signals transmitted by IoT devices to extract and harvest energy. Furthermore, and as the UAV station has a limited coverage time due to its energy constraints, we propose and investigate an efficient trade-off between ground users recharging time and data gathering time. Furthermore, we suggest to control and optimize the UAV trajectory in order to complete its travel within a minimum time, while minimizing the energy spent and/or enhancing the network lifetime. Extensive numerical results and simulations show how the system behaves under different scenarios and using various metrics in which we examine the added value of UAV with energy harvesting module.
The research of full automatic oil filtering control technology of high voltage insulating oil
NASA Astrophysics Data System (ADS)
Gong, Gangjun; Zhang, Tong; Yan, Guozeng; Zhang, Han; Chen, Zhimin; Su, Chang
2017-09-01
In this paper, the design scheme of automatic oil filter control system for transformer oil in UHV substation is summarized. The scheme specifically includes the typical double tank filter connection control method of the transformer oil of the UHV substation, which distinguishes the single port and the double port connection structure of the oil tank. Finally, the design scheme of the temperature sensor and respirator is given in detail, and the detailed evaluation and application scenarios are given for reference.
Hadron physics through asymptotic SU(3) and the chiral SU(3) x SU(3) algebra
DOE Office of Scientific and Technical Information (OSTI.GOV)
Oneda, S.; Matsuda, S.; Perlmutter, A.
From Coral Gables conference on fundamental interactions for theoretical studies; Coral Gables, Florida, USA (22 Jan 1973). See CONF-730124-. The inter- SU(3)-multiplet regularities and clues to a possible level scheme of hadrons are studied in a systematic way. The hypothesis of asymptotic SU(3) is made in the presence of GMO mass splittings with mixing, which allows information to be extracted from the chiral SU(3) x SU(3) charge algebras and from the exotic commutation relations. For the ground states the schemes obtained are compatible with those of the SU(6) x O(3) classification. Sum rules are obtained which recover most of themore » good results of SU(6). (LBS)« less
Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals.
Duchemin, Ivan; Li, Jing; Blase, Xavier
2017-03-14
The introduction of auxiliary bases to approximate molecular orbital products has paved the way to significant savings in the evaluation of four-center two-electron Coulomb integrals. We present a generalized dual space strategy that sheds a new light on variants over the standard density and Coulomb-fitting schemes, including the possibility of introducing minimization constraints. We improve in particular the charge- or multipole-preserving strategies introduced respectively by Baerends and Van Alsenoy that we compare to a simple scheme where the Coulomb metric is used for lowest angular momentum auxiliary orbitals only. We explore the merits of these approaches on the basis of extensive Hartree-Fock and MP2 calculations over a standard set of medium size molecules.