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DOE OSTI2019

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Abstract Two novel lithium nickel boride polymorphs, RT ‐LiNiB and HT ‐LiNiB, with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized by a hydride route with LiH as the lithium source. Unique among the known ternary transition‐metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers composed of Ni hexagonal rings with a B–B pair at the center. A comprehensive study using a combination of single crystal/synchrotron powder X‐ray diffraction, solid‐state 7 Li and 11 B NMR spectroscopy, scanning transmission electron microscopy, quantum‐chemical calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors for exfoliation studies, thus paving a way toward two‐dimensional transition‐metal borides, MBenes.

Gvozdetskyi, Volodymyr↗

DOE OSTI2019

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Gvozdetskyi, Volodymyr↗

DOE OSTI2019

Pareto Optimality Explanation of the Glycolytic Alternatives in Nature

The Entner-Doudoroff (ED) and Embden-Meyerhof-Parnas (EMP) glycolytic pathways are largely conserved across glycolytic species in nature. Is this a coincidence, convergent evolution or there exists a driving force towards either of the two pathway designs? We addressed this question by first employing a variant of the optStoic algorithm to exhaustively identify over 11,916 possible routes between glucose and pyruvate at different pre-determined stoichiometric yields of ATP. Subsequently, we analyzed the thermodynamic feasibility of all the pathways at physiological metabolite concentrations and quantified the protein cost of the feasible solutions. Pareto optimality analysis between energy efficiency and protein cost reveals that the naturally evolved ED and EMP pathways are indeed among the most protein cost-efficient pathways in their respective ATP yield categories and remain thermodynamically feasible across a wide range of ATP/ADP ratios and pathway intermediate metabolite concentration ranges. In contrast, pathways with higher ATP yield (>2) while feasible, are bound within stringent and often extreme operability ranges of cofactor and intermediate metabolite concentrations. The preponderance of EMP and ED is thus consistent with not only optimally balancing energy yield vs. enzyme cost but also with ensuring operability for wide metabolite concentration ranges and ATP/ADP ratios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1997

Optimizing Aerobot Exploration of Venus

Venus Flyer Robot (VFR) is an aerobot; an autonomous balloon probe designed for remote exploration of Earth's sister planet in 2003. VFR's simple navigation and control system permits travel to virtually any location on Venus, but it can survive for only a limited duration in the harsh Venusian environment. To help address this limitation, we develop: (1) a global circulation model that captures the most important characteristics of the Venusian atmosphere; (2) a simple aerobot model that captures thermal restrictions faced by VFR at Venus; and (3) one exact and two heuristic algorithms that, using abstractions (1) and (2), construct routes making the best use of VFR's limited lifetime. We demonstrate this modeling by planning several small example missions and a prototypical mission that explores numerous interesting sites recently documented in the plane tary geology literature.

SPACE EXPLORATION↗

NASA NTRS2009

Integrated Traffic Flow Management Decision Making

A generalized approach is proposed to support integrated traffic flow management decision making studies at both the U.S. national and regional levels. It can consider tradeoffs between alternative optimization and heuristic based models, strategic versus tactical flight controls, and system versus fleet preferences. Preliminary testing was accomplished by implementing thirteen unique traffic flow management models, which included all of the key components of the system and conducting 85, six-hour fast-time simulation experiments. These experiments considered variations in the strategic planning look-ahead times, the replanning intervals, and the types of traffic flow management control strategies. Initial testing indicates that longer strategic planning look-ahead times and re-planning intervals result in steadily decreasing levels of sector congestion for a fixed delay level. This applies when accurate estimates of the air traffic demand, airport capacities and airspace capacities are available. In general, the distribution of the delays amongst the users was found to be most equitable when scheduling flights using a heuristic scheduling algorithm, such as ration-by-distance. On the other hand, equity was the worst when using scheduling algorithms that took into account the number of seats aboard each flight. Though the scheduling algorithms were effective at alleviating sector congestion, the tactical rerouting algorithm was the primary control for avoiding en route weather hazards. Finally, the modeled levels of sector congestion, the number of weather incursions, and the total system delays, were found to be in fair agreement with the values that were operationally observed on both good and bad weather days.

Grabbe, Shon R.↗

DOE OSTI2021

Robust vehicle routing under uncertainty via branch-price-and-cut

Here, this paper contemplates how branch-price-and-cut solvers can be employed along with the robust optimization paradigm to address parametric uncertainty in the context of vehicle routing problems. In this setting, given postulated uncertainty sets for customer demands and vehicle travel times, one aims to identify a set of cost-effective routes for vehicles to traverse, such that the vehicle capacities and customer time window constraints are respected under any anticipated demand and travel time realization, respectively. To tackle such problems, we propose a novel approach that combines cutting-plane techniques with an advanced branch-price-and-cut algorithm. Specifically, we use deterministic pricing procedures to generate "partially robust" vehicle routes and then utilize robust versions of rounded capacity inequalities and infeasible path elimination constraints to guarantee complete robust feasibility of routing designs against demand and travel time uncertainty. In contrast to recent approaches that modify the pricing algorithm, our approach is both modular and versatile. It permits the use of advanced branch-price-and-cut technologies without significant modification, while it can admit a variety of uncertainty sets that are commonly used in robust optimization but could not be previously employed in a branch-price-and-cut setting.

42 ENGINEERING↗

DOE OSTI2022

Online eco-routing for electric vehicles using combinatorial multi-armed bandit with estimated covariance

Identifying energy-efficient routes in real-time has significant implications for the energy-optimal operations of electric vehicles (EVs). Here, this study proposes a novel model for EV online eco-routing problem, which obtains the minimal expected energy consumption paths (MECPs) for multiple origin-destination (OD) pairs simultaneously. Specifically, we formulate the routing problem as a bandit problem and solve it with online algorithms. We extend the algorithms by implementing a path elimination mechanism to reduce the candidate path set and introducing the variance and covariance of the energy consumption to reduce the uncertainties. The numerical results show that the proposed algorithms can efficiently obtain near-optimal MECPs, and the solution is significantly better than the widely used shortest trip time path algorithm (STTP) and shortest trip distance path algorithm (SDP). The variation considering link energy covariance and path elimination generates paths that save 4.1% of energy compared to the SDP and 5.4% to the STTP.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2013

Statistical and Hydrological Evaluation of TRMM-Based Multi-Satellite Precipitation Analysis over the Wangchu Basin of Bhutan: Are the Latest Satellite Precipitation Products 3B42V7 Ready for Use in Ungauged Basins?

The objective of this study is to quantitatively evaluate the successive Tropical Rainfall Measuring Mission (TRMM) Multi-satellite Precipitation Analysis (TMPA) products and further to explore the improvements and error propagation of the latest 3B42V7 algorithm relative to its predecessor 3B42V6 using the Coupled Routing and Excess Storage (CREST) hydrologic model in the mountainous Wangchu Basin of Bhutan. First, the comparison to a decade-long (2001-2010) daily rain gauge dataset reveals that: 1) 3B42V7 generally improves upon 3B42V6s underestimation both for the whole basin (bias from -41.15 to -8.38) and for a 0.250.25 grid cell with high-density gauges (bias from -40.25 to 0.04), though with modest enhancement of correlation coefficients (CC) (from 0.36 to 0.40 for basin-wide and from 0.37 to 0.41 for grid); and 2) 3B42V7 also improves its occurrence frequency across the rain intensity spectrum. Using the CREST model that has been calibrated with rain gauge inputs, the 3B42V6-based simulation shows limited hydrologic prediction NSCE skill (0.23 in daily scale and 0.25 in monthly scale) while 3B42V7 performs fairly well (0.66 in daily scale and 0.77 in monthly scale), a comparable skill score with the gauge rainfall simulations. After recalibrating the model with the respective TMPA data, significant improvements are observed for 3B42V6 across all categories, but not as much enhancement for the already well-performing 3B42V7 except for a reduction in bias (from -26.98 to -4.81). In summary, the latest 3B42V7 algorithm reveals a significant upgrade from 3B42V6 both in precipitation accuracy (i.e., correcting the underestimation) thus improving its potential hydrological utility. Forcing the model with 3B42V7 rainfall yields comparable skill scores with in-situ gauges even without recalibration of the hydrological model by the satellite precipitation, a compensating approach often used but not favored by the hydrology community, particularly in ungauged basins.

TRMM↗

NASA NTRS2009

Experimental Performance of a Genetic Algorithm for Airborne Strategic Conflict Resolution

The Autonomous Operations Planner, a research prototype flight-deck decision support tool to enable airborne self-separation, uses a pattern-based genetic algorithm to resolve predicted conflicts between the ownship and traffic aircraft. Conflicts are resolved by modifying the active route within the ownship s flight management system according to a predefined set of maneuver pattern templates. The performance of this pattern-based genetic algorithm was evaluated in the context of batch-mode Monte Carlo simulations running over 3600 flight hours of autonomous aircraft in en-route airspace under conditions ranging from typical current traffic densities to several times that level. Encountering over 8900 conflicts during two simulation experiments, the genetic algorithm was able to resolve all but three conflicts, while maintaining a required time of arrival constraint for most aircraft. Actual elapsed running time for the algorithm was consistent with conflict resolution in real time. The paper presents details of the genetic algorithm s design, along with mathematical models of the algorithm s performance and observations regarding the effectiveness of using complimentary maneuver patterns when multiple resolutions by the same aircraft were required.

Karr, David A.↗

NASA NTRS2009

Experimental Performance of a Genetic Algorithm for Airborne Strategic Conflict Resolution

The Autonomous Operations Planner, a research prototype flight-deck decision support tool to enable airborne self-separation, uses a pattern-based genetic algorithm to resolve predicted conflicts between the ownship and traffic aircraft. Conflicts are resolved by modifying the active route within the ownship's flight management system according to a predefined set of maneuver pattern templates. The performance of this pattern-based genetic algorithm was evaluated in the context of batch-mode Monte Carlo simulations running over 3600 flight hours of autonomous aircraft in en-route airspace under conditions ranging from typical current traffic densities to several times that level. Encountering over 8900 conflicts during two simulation experiments, the genetic algorithm was able to resolve all but three conflicts, while maintaining a required time of arrival constraint for most aircraft. Actual elapsed running time for the algorithm was consistent with conflict resolution in real time. The paper presents details of the genetic algorithm's design, along with mathematical models of the algorithm's performance and observations regarding the effectiveness of using complimentary maneuver patterns when multiple resolutions by the same aircraft were required.

Karr, David A.↗

NASA NTRS1986

An optimization model for the US Air-Traffic System

A systematic approach for monitoring U.S. air traffic was developed in the context of system-wide planning and control. Towards this end, a network optimization model with nonlinear objectives was chosen as the central element in the planning/control system. The network representation was selected because: (1) it provides a comprehensive structure for depicting essential aspects of the air traffic system, (2) it can be solved efficiently for large scale problems, and (3) the design can be easily communicated to non-technical users through computer graphics. Briefly, the network planning models consider the flow of traffic through a graph as the basic structure. Nodes depict locations and time periods for either individual planes or for aggregated groups of airplanes. Arcs define variables as actual airplanes flying through space or as delays across time periods. As such, a special case of the network can be used to model the so called flow control problem. Due to the large number of interacting variables and the difficulty in subdividing the problem into relatively independent subproblems, an integrated model was designed which will depict the entire high level (above 29000 feet) jet route system for the 48 contiguous states in the U.S. As a first step in demonstrating the concept's feasibility a nonlinear risk/cost model was developed for the Indianapolis Airspace. The nonlinear network program --NLPNETG-- was employed in solving the resulting test cases. This optimization program uses the Truncated-Newton method (quadratic approximation) for determining the search direction at each iteration in the nonlinear algorithm. It was shown that aircraft could be re-routed in an optimal fashion whenever traffic congestion increased beyond an acceptable level, as measured by the nonlinear risk function.

Mulvey, J. M.↗

NASA NTRS1987

Automatic routing module

Automatic Routing Module (ARM) is a tool to partially automate Air Launched Cruise Missile (ALCM) routing. For any accessible launch point or target pair, ARM creates flyable routes that, within the fidelity of the models, are optimal in terms of threat avoidance, clobber avoidance, and adherence to vehicle and planning constraints. Although highly algorithmic, ARM is an expert system. Because of the heuristics applied, ARM generated routes closely resemble manually generated routes in routine cases. In more complex cases, ARM's ability to accumulate and assess threat danger in three dimensions and trade that danger off with the probability of ground clobber results in the safest path around or through difficult areas. The tools available prior to ARM did not provide the planner with enough information or present it in such a way that ensured he would select the safest path.

Malin, Janice A.↗

NASA NTRS2006

Central East Pacific Flight Routing

With the introduction of the Federal Aviation Administration s Advanced Technology and Oceanic Procedures system at the Oakland Oceanic Center, a level of automation now exists in the oceanic environment to potentially begin accommodating increased user preferred routing requests. This paper presents the results of an initial feasibility assessment which examines the potential benefits of transitioning from the fixed Central East Pacific routes to user preferred routes. As a surrogate for the actual user-provided routing requests, a minimum-travel-time, wind-optimal dynamic programming algorithm was developed and utilized in this paper. After first describing the characteristics (e.g., origin airport, destination airport, vertical distribution and temporal distribution) of the westbound flights utilizing the Central East Pacific routes on Dec. 14-16 and 19-20, the results of both a flight-plan-based simulation and a wind-optimal-based simulation are presented. Whereas the lateral and longitudinal distribution of the aircraft trajectories in these two simulations varied dramatically, the number of simulated first-loss-of-separation events remained relatively constant. One area of concern that was uncovered in this initial analysis was a potential workload issue associated with the redistribution of traffic in the oceanic sectors due to thc prevailing wind patterns.

Grabbe, Shon↗

NASA NTRS2011

Flight Departure Delay and Rerouting Under Uncertainty in En Route Convective Weather

Delays caused by uncertainty in weather forecasts can be reduced by improving traffic flow management decisions. This paper presents a methodology for traffic flow management under uncertainty in convective weather forecasts. An algorithm for assigning departure delays and reroutes to aircraft is presented. Departure delay and route assignment are executed at multiple stages, during which, updated weather forecasts and flight schedules are used. At each stage, weather forecasts up to a certain look-ahead time are treated as deterministic and flight scheduling is done to mitigate the impact of weather on four-dimensional flight trajectories. Uncertainty in weather forecasts during departure scheduling results in tactical airborne holding of flights. The amount of airborne holding depends on the accuracy of forecasts as well as the look-ahead time included in the departure scheduling. The weather forecast look-ahead time is varied systematically within the experiments performed in this paper to analyze its effect on flight delays. Based on the results, longer look-ahead times cause higher departure delays and additional flying time due to reroutes. However, the amount of airborne holding necessary to prevent weather incursions reduces when the forecast look-ahead times are higher. For the chosen day of traffic and weather, setting the look-ahead time to 90 minutes yields the lowest total delay cost.

Mukherjee, Avijit↗

NASA NTRS2012

Autonomous Operations Planner: A Flexible Platform for Research in Flight-Deck Support for Airborne Self-Separation

The Autonomous Operations Planner (AOP), developed by NASA, is a flexible and powerful prototype of a flight-deck automation system to support self-separation of aircraft. The AOP incorporates a variety of algorithms to detect and resolve conflicts between the trajectories of its own aircraft and traffic aircraft while meeting route constraints such as required times of arrival and avoiding airspace hazards such as convective weather and restricted airspace. This integrated suite of algorithms provides flight crew support for strategic and tactical conflict resolutions and conflict-free trajectory planning while en route. The AOP has supported an extensive set of experiments covering various conditions and variations on the self-separation concept, yielding insight into the system s design and resolving various challenges encountered in the exploration of the concept. The design of the AOP will enable it to continue to evolve and support experimentation as the self-separation concept is refined.

Karr, David A.↗

DOE OSTI2019

Topology Inference of Unknown Networks Based on Robust Virtual Coordinate Systems

Learning and exploring the connectivity of unknown networks represent an important problem in practical applications of communication networks and social-media networks. Modeling large-scale networks as connected graphs is highly desirable to extract their connectivity information among nodes to visualize network topology, disseminate data, and improve routing efficiency. This paper investigates a simple measurement model in which a small subset of source nodes collect hop distance information from networked nodes in order to generate a virtual coordinate system (VCS) for networks of unknown topology. We establish the VCS to define logical distance among nodes based on principal component analysis and to determine connectivity relationship and effective routing methods. More importantly, we present a robust analytical algorithm to derive the VCS against practical issues of missing and corrupted measurements. We also develop a connectivity inference method which classifies nodes into layers based on the hop distances and derives partial information on network connectivity.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2004

Adaptive Bio-Inspired Wireless Network Routing for Planetary Surface Exploration

Wireless mobile networks suffer connectivity loss when used in a terrain that has hills, and valleys when line of sight is interrupted or range is exceeded. To resolve this problem and achieve acceptable network performance, we have designed an adaptive, configurable, hybrid system to automatically route network packets along the best path between multiple geographically dispersed modules. This is very useful in planetary surface exploration, especially for ad-hoc mobile networks, where computational devices take an active part in creating a network infrastructure, and can actually be used to route data dynamically and even store data for later transmission between networks. Using inspiration from biological systems, this research proposes to use ant trail algorithms with multi-layered information maps (topographic maps, RF coverage maps) to determine the best route through ad-hoc network at real time. The determination of best route is a complex one, and requires research into the appropriate metrics, best method to identify the best path, optimizing traffic capacity, network performance, reliability, processing capabilities and cost. Real ants are capable of finding the shortest path from their nest to a food source without visual sensing through the use of pheromones. They are also able to adapt to changes in the environment using subtle clues. To use ant trail algorithms, we need to define the probability function. The artificial ant is, in this case, a software agent that moves from node to node on a network graph. The function to calculate the fitness (evaluate the better path) includes: length of the network edge, the coverage index, topology graph index, and pheromone trail left behind by other ant agents. Each agent modifies the environment in two different ways: 1) Local trail updating: As the ant moves between nodes it updates the amount of pheromone on the edge; and 2) Global trail updating: When all ants have completed a tour the ant that found the shortest route updates the edges in its path.

Alena, Richard I.↗

NASA NTRS2006

Pattern-Based Genetic Algorithm for Airborne Conflict Resolution

NASA has developed the Autonomous Operations Planner (AOP) airborne decision support tool to explore advanced air traffic control concepts that include delegating separation authority to aircraft. A key element of the AOP is its strategic conflict resolution (CR) algorithm, which must resolve conflicts while maintaining conformance with traffic flow management constraints. While a previous CR algorithm, which focused on broader flight plan optimization objectives as a part of conflict resolution, had successfully been developed, new research has identified the need for resolution routes the users find more acceptable (i.e., simpler and more intuitive). A new CR algorithm is presented that uses a combination of pattern-based maneuvers and a genetic algorithm to achieve these new objectives. Several lateral and vertical maneuver patterns are defined and the application of the genetic algorithm explained. A new approach to defining a conflicted fitness function using estimates of the local conflict region around a conflicted trajectory is also presented. Preliminary performance characteristics of the implemented algorithm are provided.

Vivona, Robert A.↗