Petr Šulc

Options for Control of Reactive Power by Distributed Photovoltaic Generators

High-penetration levels of distributed photovoltaic (PV) generation on an electrical distribution circuit present several challenges and opportunities for distribution utilities. Rapidly varying irradiance conditions may cause voltage sags and swells that cannot be compensated by slowly responding utility equipment resulting in a degradation of power quality. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g., by minimizing thermal losses. We discuss and compare via simulation various design options for control systems to manage the reactive power generated by these inverters. An important design decision that weighs on the speed and quality of communication required is whether the control should be centralized or distributed (i.e., local). In general, we find that local control schemes are able to maintain voltage within acceptable bounds. We consider the benefits of choosing different local variables on which to control and how the control system can be continuously tuned between robust voltage control, suitable for daytime operation when circuit conditions can change rapidly, and loss minimization better suited for nighttime operation.

On the Biophysics and Kinetics of Toehold-Mediated DNA Strand Displacement

Dynamic DNA nanotechnology often uses toehold-mediated strand displacement for controlling reaction kinetics. Although the dependence of strand displacement kinetics on toehold length has been experimentally characterized and phenomenologically modeled, detailed biophysical understanding has remained elusive. Here, we study strand displacement at multiple levels of detail, using an intuitive model of a random walk on a 1D energy landscape, a secondary structure kinetics model with single base-pair steps and a coarse-grained molecular model that incorporates 3D geometric and steric effects. Further, we experimentally investigate the thermodynamics of three-way branch migration. Two factors explain the dependence of strand displacement kinetics on toehold length: (i) the physical process by which a single step of branch migration occurs is significantly slower than the fraying of a single base pair and (ii) initiating branch migration incurs a thermodynamic penalty, not captured by state-of-the-art nearest neighbor models of DNA, due to the additional overhang it engenders at the junction. Our findings are consistent with previously measured or inferred rates for hybridization, fraying and branch migration, and they provide a biophysical explanation of strand displacement kinetics. Our work paves the way for accurate modeling of strand displacement cascades, which would facilitate the simulation and construction of more complex molecular systems.

Distributed control of reactive power flow in a radial distribution circuit with high photovoltaic penetration

We show how distributed control of reactive power can serve to regulate voltage and minimize resistive losses in a distribution circuit that includes a significant level of photovoltaic (PV) generation. To demonstrate the technique, we consider a radial distribution circuit with a single branch consisting of sequentially-arranged residential-scale loads that consume both real and reactive power. In parallel, some loads also have PV generation capability. We postulate that the inverters associated with each PV system are also capable of limited reactive power generation or consumption, and we seek to find the optimal dispatch of each inverters reactive power to both maintain the voltage within an acceptable range and minimize the resistive losses over the entire circuit. We assume the complex impedance of the distribution circuit links and the instantaneous load and PV generation at each load are known. We compare the results of the optimal dispatch with a suboptimal local scheme that does not require any communication. On our model distribution circuit, we illustrate the feasibility of high levels of PV penetration and a significant (20% or higher) reduction in losses.

Local Control of Reactive Power by Distributed Photovoltaic Generators

High penetration levels of distributed photovoltaic (PV) generation on an electrical distribution circuit may degrade power quality due to voltage sags and swells caused by rapidly varying PV generation during cloud transients coupled with the slow response of existing utility compensation and regulation equipment. Fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides a new tool for distribution utilities to minimize the thermal losses in circuit. We suggest a local control scheme that dispatches reactive power from each PV inverter based on local instantaneous measurements of the real and reactive components of the consumed power and the real power generated by the PVs. Using one adjustable parameter per circuit, we balance the requirements on power quality and desire to minimize thermal losses. The performance of the proposed control scheme is evaluated via numerical simulations of realistic rural lines in several generation/consumption scenarios. Simultaneous improvement of both the power quality and the magnitude of losses is observed for all the scenarios, even when the renewable generation in excess of the circuit own load.

Sequence-dependent thermodynamics of a coarse-grained DNA model

We introduce a sequence-dependent parametrization for a coarse-grained DNA model [T. E. Ouldridge, A. A. Louis, and J. P. K. Doye, J. Chem. Phys. 134, 085101 (2011)] originally designed to reproduce the properties of DNA molecules with average sequences. The new parametrization introduces sequence-dependent stacking and base-pairing interaction strengths chosen to reproduce the melting temperatures of short duplexes. By developing a histogram reweighting technique, we are able to fit our parameters to the melting temperatures of thousands of sequences. To demonstrate the flexibility of the model, we study the effects of sequence on: (a) the heterogeneous stacking transition of single strands, (b) the tendency of a duplex to fray at its melting point, (c) the effects of stacking strength in the loop on the melting temperature of hairpins, (d) the force-extension properties of single strands, and (e) the structure of a kissing-loop complex. Where possible, we compare our results with experimental data and find a good agreement. A simulation code called oxDNA, implementing our model, is available as a free software.

Optimal Distributed Control of Reactive Power Via the Alternating Direction Method of Multipliers

We formulate the control of reactive power generation by photovoltaic inverters in a power distribution circuit as a constrained optimization that aims to minimize power losses subject to finite inverter capacity and upper and lower voltage limits at all nodes in the circuit. When voltage variations along the circuit are small and losses of both real and reactive powers are small compared with the respective flows, the resulting optimization problem is convex. Moreover, the cost function is separable enabling a distributed online implementation with node-local computations using only local measurements augmented with limited information from the neighboring nodes communicated over cyber channels. Such an approach lies between the fully centralized and local policy approaches previously considered. We explore protocols based on the dual-ascent method and on the alternating direction method of multipliers (ADMMs), and find that the ADMM protocol performs significantly better.

DNA hybridization kinetics: zippering, internal displacement and sequence dependence

Although the thermodynamics of DNA hybridization is generally well established, the kinetics of this classic transition is less well understood. Providing such understanding has new urgency because DNA nanotechnology often depends critically on binding rates. Here, we explore DNA oligomer hybridization kinetics using a coarse-grained model. Strand association proceeds through a complex set of intermediate states, with successful binding events initiated by a few metastable base-pairing interactions, followed by zippering of the remaining bonds. But despite reasonably strong interstrand interactions, initial contacts frequently dissociate because typical configurations in which they form differ from typical states of similar enthalpy in the double-stranded equilibrium ensemble. Initial contacts must be stabilized by two or three base pairs before full zippering is likely, resulting in negative effective activation enthalpies. Non-Arrhenius behavior arises because the number of base pairs required for nucleation increases with temperature. In addition, we observe two alternative pathways—pseudoknot and inchworm internal displacement—through which misaligned duplexes can rearrange to form duplexes. These pathways accelerate hybridization. Our results explain why experimentally observed association rates of GC-rich oligomers are higher than rates of AT- rich equivalents, and more generally demonstrate how association rates can be modulated by sequence choice.

Coarse-graining DNA for simulations of DNA nanotechnology

To simulate long time and length scale processes involving DNA it is necessary to use a coarse-grained description. Here we provide an overview of different approaches to such coarse-graining, focussing on those at the nucleotide level that allow the self-assembly processes associated with DNA nanotechnology to be studied. OxDNA, our recently-developed coarse-grained DNA model, is particularly suited to this task, and has opened up this field to systematic study by simulations. We illustrate some of the range of DNA nanotechnology systems to which the model is being applied, as well as the insights it can provide into fundamental biophysical properties of DNA.

Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na(+)] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA.

A nucleotide-level coarse-grained model of RNA

We present a new, nucleotide-level model for RNA, oxRNA, based on the coarse-graining methodology recently developed for the oxDNA model of DNA. The model is designed to reproduce structural, mechanical, and thermodynamic properties of RNA, and the coarse-graining level aims to retain the relevant physics for RNA hybridization and the structure of single- and double-stranded RNA. In order to explore its strengths and weaknesses, we test the model in a range of nanotechnological and biological settings. Applications explored include the folding thermodynamics of a pseudoknot, the formation of a kissing loop complex, the structure of a hexagonal RNA nanoring, and the unzipping of a hairpin motif. We argue that the model can be used for efficient simulations of the structure of systems with thousands of base pairs, and for the assembly of systems of up to hundreds of base pairs. The source code implementing the model is released for public use.