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DOE OSTI2021

Developing Technology Performance Level Assessments for Early-Stage Wave Energy Converter Technologies: Preprint

The advantage of using Technology Performance Level (TPL) in conjunction with Technology Readiness Level (TRL) assessments in guiding technology development trajectories to successful outcomes in less time, at less overall cost, and with less encountered risk has been well articulated in the literature. In partnership with industry and international collaborators, a TPL assessment methodology for grid-connected applications has been developed through the application of the systems engineering approach. Metrics under seven different categories have been developed, weighted based on their relative relevance, and combined to yield a composite score. The methodology has been implemented in a spreadsheet tool plus a web application specifically aimed at assessing early stage (TRL 1-3) concepts. The target use cases are (a) technology developers improving their design, to find fatal flaws early, to get feedback on current design, to identify areas of improvement that will yield the highest return on investment, (b) reviewers assessing technologies in competitions or for making funding decisions, (c) investor or project developer doing due diligence, (d) policy makers landscaping the technology domain for formulating R&D strategy. The methodology and the tools are undergoing continuous improvement based on the experience and lessons learnt from applying it to internal and external marine energy technology development projects. The methodology is also being adapted for assessing WECs servicing markets outside the continental grid - broadly categorized as Powering the Blue Economy (PBE) applications. Such applications have vastly different functional requirements entailing a modification of the methodology to account for their higher risk tolerance, reduced price sensitivities, lower power needs, different permitting protocols, etc. This paper presents the latest status of the TPL assessment methodology and tools, describes its adaptation to select PBE markets, and explores its extension to other domains where it could provide a comprehensive and holistic measure of a nascent or disruptive technology's technoeconomic performance potential.

metrics↗

DOE OSTI2021

Developing Technology Performance Level Assessments for Early-Stage Wave Energy Converter Technologies

metrics↗

DOE OSTI2022

High Volume Production of Nanoscale Elements

The utility of nanoscale elements spans numerous potential markets including healthcare, communications, energy, optics, and structures. The energy market in particular will require large volumes and is price sensitive. In this talk we will discuss strategies to scale nanoscale elements, including nanoparticle inks and nanoscale thin films, for the large area deposition (hundreds of square meters) using high through put processes. Historically, roll-to-roll production of thin films has been carried out at very high speeds over large areas using solution phase inks. Nanoparticles are produced in a bottom-up approach in solution phase that simplifies the processing and is amenable to ink formulations. Sintering and annealing of the thin films can be increased by using radiation thermal processing that integrates easily into roll-to-roll manufacturing. Results of printed films on the order of tens of nanometers to hundreds of nanometers are presented including studies of morphologies and uniformity over large areas. Solar cells devices using the roll-to-roll setup are demonstrated and a techno-economic analysis of the manufacturing is proposed. These results are presented with a comparison to the current photovoltaic technologies in production.

Druffel, Thad↗

NASA NTRS1989

Non-linear three dimensional spectral model of the Venusian thermosphere with super-rotation. I - Formulation and numerical technique. II - Temperature, composition and winds

A three-dimensional spectral model for the Venusion thermosphere is presented which uses spherical harmonics to represent the horizontal variations in longitude and latitude and which uses Fourier harmonics to represent the LT variations due to atmospheric rotation. A differencing scheme with tridiagonal block elimination is used to perform the height integration. Quadratic nonlinearities are taken into account. In the second part, numerical results obtained with the model are shown to reproduce the observed broad daytime maxima in CO2 and CO and the significantly larger values at dawn than at dusk. It is found that the diurnal variations in He are most sensitive to thermospheric superrotation, and that, given a globally uniform atmosphere as input, larger heating rates yield a larger temperature contrast between day and night.

Stevens-Rayburn, D. R.↗

DOE OSTI2026

PDE-constrained high-order mesh optimization

Here, we present a novel framework for PDE-constrained r-adaptivity of high-order meshes. The proposed method formulates mesh movement as an optimization problem, with an objective function defined as a convex combination of a mesh quality metric and a measure of the accuracy of the PDE solution obtained via finite element discretization. The proposed formulation achieves optimized, well-defined high-order meshes by integrating mesh quality control, PDE solution accuracy, and robust gradient regularization. We adopt the Target-Matrix Optimization Paradigm to control geometric properties across the mesh, independent of the PDE of interest. To incorporate the accuracy of the PDE solution, we introduce error measures that control the finite element discretization error. The implicit dependence of these error measures on the mesh nodal positions is accurately captured by adjoint sensitivity analysis. Additionally, a convolution-based gradient regularization strategy is used to ensure stable and effective adaptation of high-order meshes. We demonstrate that the proposed framework can improve mesh quality and reduce the error by up to 10 times for the solution of Poisson and linear elasto-static problems. The approach is general with respect to the dimensionality, the order of the mesh, the types of mesh elements, and can be applied to any PDE that admits well-defined adjoint operators.

Computer science↗

DOE OSTI2025

Formation trajectories of solution-processed perovskite thin films from mixed solvents

The engineering of mixed-solvent formulations and their evaporation conditions are key to reproducible perovskite coatings for high-performance photovoltaics. Here, we report a lumped-parameter evaporation model to predict the evolution of a perovskite ink liquid film over time (solvent ratio, solute concentration, and film thickness). The drying-rate model is validated via in situ film-thickness measurements, and the predicted transient liquid film state is mapped as a process path. These methods allow for the prediction of process sensitivity to local environmental factors and the understanding and visualization of a broader processing parameter space enabled through the coupling of process and ink engineering. Process maps are applied to create a new framework for scalable perovskite coating development with a goal of improving the reproducibility and transferability of perovskite fabrication. This approach is demonstrated with blade-coated FA 0.83 Cs 0.17 PbI 3 photovoltaic devices, improving the photovoltaic conversion efficiency from 17.5% ± 1.7% to 20.3% ± 0.6%.

14 SOLAR ENERGY↗

DOE OSTI2020

Integration of Soft Data Into Geostatistical Simulation of Categorical Variables

Uncertain or indirect “soft” data, such as geologic interpretation, driller’s logs, geophysical logs or imaging, offer potential constraints or “soft conditioning” to stochastic models of discrete categorical subsurface variables in hydrogeology such as hydrofacies. Previous bivariate geostatistical simulation algorithms have not fully addressed the impact of data uncertainty in formulation of the (co) kriging equations and the objective function in simulated annealing (or quenching). This paper introduces the geostatistical simulation code tsim-s, which accounts for categorical data uncertainty through a data “hardness” parameter. In generating geostatistical realizations with tsim-s, the uncertainty inherent to soft conditioning is factored into both 1) the data declustering and spatial correlation functions in cokriging and 2) the acceptance probability for change of category in simulated quenching. The degree or sensitivity to which soft data conditions a realization as a function of hardness can be quantified by mapping category probabilities derived from multiple realizations. In addition to point or borehole data, arrays of data (e.g., as derived from a depth-dependency function, probability map, or “prior realization”) can be used as soft conditioning. The tsim-s algorithm provides a theoretically sound and general framework for integrating datasets of variable location, resolution, and uncertainty into geostatistical simulation of categorical variables. A practical example shows how tsim-s is capable of generating a large-scale three-dimensional simulation including curvilinear features.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1975

Numerical techniques for the linear, nonadiabatic stellar pulsation problem

The linear, nonadiabatic eigenvalue problem is formulated using Castor's method for calculating radial pulsations of stellar models. Both left and right eigenvectors are calculated. Initial eigenvalues for the linear, nonadiabatic solutions are obtained from the adiabatic eigenvalues and left and right eigenvectors. The orthogonality relation is obtained. Simple formulas for the Newton method are given. The iteration procedure is constrained to improve convergence. The Newton method is less satisfactory than the secant method for difficult cases. The linear, nonadiabatic solutions are shown to be sensitive to the number of zones with tau smaller than 2/3, and the value of (P/P sub r) surface or tau (surface). Optimum values can be determined for the number of zones and tau (surface). Application of the method to Population II Cepheids is briefly presented.

Bednarek, T. A.↗

NASA NTRS2008

Rightsizing LISA

The LISA science requirements and conceptual design have been fairly stable for over a decade. In the interest of reducing costs, the LISA Project at NASA has looked for simplifications of the architecture, at downsizing of subsystems, and at descopes of the entire mission. This is a natural activity of the formulation phase, and one that is particularly timely in the current NASA budgetary context. There is, and will continue to be, enormous pressure for cost reduction from both ESA and NASA, reviewers and the broader research community. Here, we review the rationale for the baseline architecture. and report recent efforts to find simplifications and other reductions that might lead to savings. A few possible simplifications have been found in the LISA baseline architecture. In the interest of exploring cost sensitivity, one moderate and one aggressive descope have been evaluated; the cost savings are modest and the loss of science is not.

Stebbins, Robin T.↗

DOE OSTI2021

Implementation and Verification of Cable Bending Stiffness in MoorDyn

The relatively large motions experienced by floating wind turbines and wave energy converters pose a challenge for power cables, whose internal components provide significant bending resistance and are sensitive to deformation. The behavior and associated design considerations of power cables in these highly dynamic applications make coupled analysis relevant for design. Bending stiffness capabilities have recently been added to the lumped-mass mooring dynamics model MoorDyn to enable simulation of dynamic power cables. MoorDyn is a common modeling choice for floating wind energy simulation (often coupled with OpenFAST) and floating wave energy converter simulation (often coupled with WEC-Sim) but the model’s previous line elasticity formulation only considered axial stiffness. To properly capture the dynamics of power cables, a bending stiffness model has been added that approximates cable curvature based on the difference in tangent vectors of adjacent elements. The resulting bending moment is realized by applying forces on adjacent nodes, enabling cable modeling while leaving the underlying lumped-mass formulation unchanged. In this paper, the new bending stiffness implementation is verified in static conditions against analytical solutions and then in a dynamic power cable scenario in comparison with the commercial simulator OrcaFlex. The dynamic scenario uses prescribed motions and includes wave loadings on the cable. Results indicate correct implementation of bending stiffness and show close agreement with OrcaFlex.

50 EE - Wind and Water Power Program - Water (EE-4↗

NASA NTRS1979

Application of non-attenuating frequency radars for prediction of rain attenuation and space diversity performance

In order to establish transmitter power and receiver sensitivity levels at frequencies above 10 GHz, the designers of earth-satellite telecommunication systems are interested in cumulative rain fade statistics at variable path orientations, elevation angles, climatological regions, and frequencies. They are also interested in establishing optimum space diversity performance parameters. In this work are examined the many elements involved in the employment of single non-attenuating frequency radars for arriving at the desired information. The elements examined include radar techniques and requirements, phenomenological assumptions, path attenation formulations and procedures, as well as error budgeting and calibration analysis. Included are the pertinent results of previous investigators who have used radar for rain attenuation modeling. Suggestions are made for improving present methods.

Goldhirsh, J.↗

NASA NTRS2009

Rightsizing LISA

The LISA science requirements and conceptual design have been fairly stable for over a decade. In the interest of reducing costs, the LISA Project at NASA has looked for simplifications of the architecture, at downsizing of subsystems, and at descopes of the entire mission. This is a natural activity of the formulation phase, and one that is particularly timely in the current NASA budgetary context. There is, and will continue to be, enormous pressure for cost reduction from both ESA and NASA, reviewers and the broader research community. Here, the rationale for the baseline architecture is reviewed, and recent efforts to find simplifications and other reductions that might lead to savings are reported. A few possible simplifications have been found in the LISA baseline architecture. In the interest of exploring cost sensitivity, one moderate and one aggressive descope have been evaluated; the cost savings are modest and the loss of science is not.

Stebbins, Robin T.↗

DOE OSTI2021

NMR Spectroscopy for Protein Higher Order Structure Similarity Assessment in Formulated Drug Products

Peptide and protein drug molecules fold into higher order structures (HOS) in formulation and these folded structures are often critical for drug efficacy and safety. Generic or biosimilar drug products (DPs) need to show similar HOS to the reference product. The solution NMR spectroscopy is a non-invasive, chemically and structurally specific analytical method that is ideal for characterizing protein therapeutics in formulation. However, only limited NMR studies have been performed directly on marketed DPs and questions remain on how to quantitively define similarity. Here, NMR spectra were collected on marketed peptide and protein DPs, including calcitonin-salmon, liraglutide, teriparatide, exenatide, insulin glargine and rituximab. The 1D 1 H spectral pattern readily revealed protein HOS heterogeneity, exchange and oligomerization in the different formulations. Principal component analysis (PCA) applied to two rituximab DPs showed consistent results with the previously demonstrated similarity metrics of Mahalanobis distance (D M ) of 3.3. The 2D 1 H- 13 C HSQC spectral comparison of insulin glargine DPs provided similarity metrics for chemical shift difference (Δδ) and methyl peak profile, i.e., 4 ppb for 1 H, 15 ppb for 13 C and 98% peaks with equivalent peak height. Finally, 2D 1 H- 15 N sofast HMQC was demonstrated as a sensitive method for comparison of small protein HOS. The application of NMR procedures and chemometric analysis on therapeutic proteins offer quantitative similarity assessments of DPs with practically achievable similarity metrics.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1976

Image quality prediction - An aid to the Viking lander imaging investigation on Mars

Image quality criteria and image quality predictions are formulated for the multispectral panoramic cameras carried by the Viking Mars landers. Image quality predictions are based on expected camera performance, Mars surface radiance, and lighting and viewing geometry (fields of view, Mars lander shadows, solar day-night alternation), and are needed in diagnosis of camera performance, in arriving at a preflight imaging strategy, and revision of that strategy should the need arise. Landing considerations, camera control instructions, camera control logic, aspects of the imaging process (spectral response, spatial response, sensitivity), and likely problems are discussed. Major concerns include: degradation of camera response by isotope radiation, uncertainties in lighting and viewing geometry and in landing site local topography, contamination of camera window by dust abrasion, and initial errors in assigning camera dynamic ranges (gains and offsets).

Huck, F. O.↗

NASA NTRS2001

Development of a Mars Airplane Entry, Descent, and Flight Trajectory

An entry, descent, and flight (EDF) trajectory profile for a Mars airplane mission is defined as consisting of the following elements: ballistic entry of an aeroshell; supersonic deployment of a decelerator parachute; subsonic release of a heat shield; release, unfolding, and orientation of an airplane to flight attitude; and execution of a pull up maneuver to achieve trimmed, horizontal flight. Using the Program to Optimize Simulated Trajectories (POST) a trajectory optimization problem was formulated. Model data representative of a specific Mars airplane configuration, current models of the Mars surface topography and atmosphere, and current estimates of the interplanetary trajectory, were incorporated into the analysis. The goal is to develop an EDF trajectory to maximize the surface-relative altitude of the airplane at the end of a pull up maneuver, while subject to the mission design constraints. The trajectory performance was evaluated for three potential mission sites and was found to be site-sensitive. The trajectory performance, examined for sensitivity to a number of design and constraint variables, was found to be most sensitive to airplane mass, aerodynamic performance characteristics, and the pull up Mach constraint. Based on the results of this sensitivity study, an airplane-drag optimized trajectory was developed that showed a significant performance improvement.

Murray, James E.↗

NASA NTRS1994

Numerical and Experimental Study of Transport Phenomena in Directional Solidification of Succinonitrile

A numerical and experimental study of the growth of succinonitrile (SCN) using a horizontal Bridginan furnace and transparent glass ampoule was conducted. Two experiments were considered: one in which the temperature profile was fixed relative to the ampoule (no-growth case); and a second in which the thermal profile was translated at a constant rate (steady growth case). Measured temperature profiles on the outer surface of the ampoule were used as thermal boundary conditions for the modelling. The apparent heat capacity formulation combined with the variable viscositymeth~ was used to model the phase change in SeN. Both 2-D and 3-D models were studied and numerical solutions obtained using the commercial finite element code, FIDAP1. Comparison of the numerical results to experimental data showed excellent agreement. The complex 3-D shallow-cavity flow in the melt, differences between 2-D and 3-D models, effects of natural convection on the thermal gradient and shape of the solid/liquid interface, and the sensitivity of simulations to specific assumptions, are also discussed.

de Groh, Henry C., III↗

DOE OSTI2021

COVID-19 dynamics across the US: A deep learning study of human mobility and social behavior

This paper presents a deep learning framework for epidemiology system identification from noisy and sparse observations with quantified uncertainty. The proposed approach employs an ensemble of deep neural networks to infer the time-dependent reproduction number of an infectious disease by formulating a tensor-based multi-step loss function that allows us to efficiently calibrate the model on multiple observed trajectories. The method is applied to a mobility and social behavior-based SEIR model of COVID-19 spread. The model is trained on Google and Unacast mobility data spanning a period of 66 days, and is able to yield accurate future forecasts of COVID-19 spread in 203 US counties within a time-window of 15 days. Interestingly, a sensitivity analysis that assesses the importance of different mobility and social behavior parameters reveals that attendance of close places, including workplaces, residential, and retail and recreational locations, has the largest impact on the effective reproduction number. Furthermore, the model enables us to rapidly probe and quantify the effects of government interventions, such as lock-down and re-opening strategies. Taken together, the proposed framework provides a robust workflow for data-driven epidemiology model discovery under uncertainty and produces probabilistic forecasts for the evolution of a pandemic that can judiciously provide information for policy and decision making. All codes and data accompanying this manuscript are available at https://github.com/PredictiveIntelligenceLab/DeepCOVID19.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Scalable Simulation of Pressure Gradient-Driven Transport of Rarefied Gases in Complex Permeable Media Using Lattice Boltzmann Method

Accurate representations of slip and transitional flow regimes present a challenge in the simulation of rarefied gas flow in confined systems with complex geometries. In these regimes, continuum-based formulations may not capture the physics correctly. This work considers a regularized multi-relaxation time lattice Boltzmann (LB) method with mixed Maxwellian diffusive and halfway bounce-back wall boundary treatments to capture flow at high Kn. The simulation results are validated against atomistic simulation results from the literature. We examine the convergence behavior of LB for confined systems as a function of inlet and outlet treatments, complexity of the geometry, and magnitude of pressure gradient and show that convergence is sensitive to all three. The inlet and outlet boundary treatments considered in this work include periodic, pressure, and a generalized periodic boundary condition. Compared to periodic and pressure treatments, simulations of complex domains using a generalized boundary treatment conserve mass but require more iterations to converge. Convergence behavior in complex domains improves at higher magnitudes of pressure gradient across the computational domain, and lowering the porosity deteriorates the convergence behavior for complex domains.

42 ENGINEERING↗