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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A generalized multi-dimensional mathematical model for charging and discharging processes in a supercapacitor

A generalized three dimensional computational model based on unied formulation of electrode- electrolyte-electrode system of a electric double layer supercapacitor has been developed. The model accounts for charge transport across the solid-liquid system. This formulation based on volume averaging process is a widely used concept for the multiphase ow equations ([28] [36]) and is analogous to porous media theory typically employed for electrochemical systems [22] [39] [12]. This formulation is extended to the electrochemical equations for a supercapacitor in a consistent fashion, which allows for a single-domain approach with no need for explicit interfacial boundary conditions as previously employed ([38]). In this model it is easy to introduce the spatio-temporal variations, anisotropies of physical properties and it is also conducive for introducing any upscaled parameters from lower length{scale simulations and experiments. Due to the irregular geometric congurations including porous electrode, the charge transport and subsequent performance characteristics of the super-capacitor can be easily captured in higher dimensions. A generalized model of this nature also provides insight into the applicability of 1D models ([38]) and where multidimensional eects need to be considered. In addition, simple sensitivity analysis on key input parameters is performed in order to ascertain the dependence of the charge and discharge processes on these parameters. Finally, we demonstarted how this new formulation can be applied to non-planar supercapacitors

Single Domain↗
DOE OSTI2019

A mathematical programming approach for the optimal placement of flame detectors in petrochemical facilities

Flame detectors provide an important layer of protection for personnel in petrochemical plants, but effective placement can be challenging. A mixed-integer nonlinear programming formulation is proposed for optimal placement of flame detectors while considering non-uniform probabilities of detection failure. We show that this approach allows for the placement of fire detectors using a fixed sensor budget and outperforms models that do not account for imperfect detection. In this study, we develop a linear relaxation to the formulation and an efficient solution algorithm that achieves global optimality with reasonable computational effort. We integrate this problem formulation into the Python package, Chama, and demonstrate the effectiveness of this formulation on a small test case and on two real-world case studies using the fire and gas mapping software, Kenexis Effigy.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

A mathematical design framework for membrane pre-concentration in energy-efficient recovery of fermentation products

Due to the dilute nature of products manufactured via fermentation and cell-free bioprocessing, dewatering is a common unit operation in downstream processing (DSP) for bioproduct recovery, but it is typically energy intensive. To improve DSP energy efficiency for bio-based small molecules, integrating high-pressure membrane pre-concentration is a promising process option. However, this approach is typically constrained by a tradeoff between concentration factor (CF) and product recovery (PR), namely increasing the CF typically results in greater product loss, and vice versa. Here we developed a model that enables process design guidelines to: (i) identify scenarios in which the additional energy consumption and product loss from membrane pre-concentration are justified for use in DSP, and (ii) determine the optimal CF that minimizes process specific energy consumption. We compared the energy consumption of high-pressure membrane-integrated processes to evaporation-only processes and applied the model to an experimental case study for the separation and purification of butyric acid from Clostridium tyrobutyricum fermentation using an in situ product recovery (ISPR) process. The model estimated that integrating a tangential-flow reverse osmosis (RO) pre-concentration unit could reduce process energy consumption up to 45%. The use of advanced membrane pre-concentration technologies, such as negative rejection membranes and organic solvent reverse osmosis (OSRO), have the potential to further reduce the overall process specific energy consumption up to 96%, projected based on modeling. Overall, membrane pre-concentration, especially when strategically integrated prior to an evaporation step with optimized process conditions, holds significant potential for improving DSP energy efficiency, particularly in applications requiring substantial solvent removal for product recovery from dilute mixtures.

09 BIOMASS FUELS↗
DOE OSTI2019

Mathematical Reconstruction of Land Carbon Models From Their Numerical Output: Computing Soil Radiocarbon From C Dynamics

Radiocarbon ( 14 C) is a powerful tracer of the global carbon cycle that is commonly used to assess carbon cycling rates in various Earth system reservoirs and as a benchmark to assess model performance. Therefore, it has been recommended that Earth System Models (ESMs) participating in the Coupled Model Intercomparison Project Phase 6 report predicted radiocarbon values for relevant carbon pools. However, a detailed representation of radiocarbon dynamics may be an impractical burden on model developers. Here, we present an alternative approach to compute radiocarbon values from the numerical output of an ESM that does not explicitly represent these dynamics. The approach requires computed 12 C stocks and fluxes among all carbon pools for a particular simulation of the model. From this output, a time-dependent linear compartmental system is computed with its respective state-transition matrix. Using transient atmospheric 14 C values as inputs, the state-transition matrix is then applied to compute radiocarbon values for each pool, the average value for the entire system, and component fluxes. We demonstrate the approach with ELMv1-ECA, the land component of an ESM model that explicitly represents 12 C, and 14 C in 7 soil pools and 10 vertical layers. Results from our proposed method are highly accurate (relative error <0.01%) compared with the ELMv1-ECA 12 C and 14 C predictions, demonstrating the potential to use this approach in CMIP6 and other model simulations that do not explicitly represent 14 C.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A mathematical model of solid-state dewetting of barium thin films on W (112)

Solid state dewetting occurs when a thin solid film is heated. The temperature of dewetting depends on the thickness of the film; dewetting can be observed in the range of 1/3 to 1/2 of the bulk melting temperature. While remaining solid, the film behaves in a manner similar to liquids dewetting and agglomerating to forming islands or droplets. One of the possible mechanisms is the conversion of a metastable thin film geometry into a more stable form. Heating the metastable film gives the film atoms higher mobility, and the films retract, dewetting the surface. This atomic motion can be restricted due to surface anisotropy. Herein we present in situ emission microscopy observations of barium thin films deposited onto W (112) by thermal evaporation. From the modeling viewpoint, the evolution of the film in this system could be divided in four stages: (i) the nucleation and growth of the thin film as a simply connected region; (ii) formation of droplets/islands/hillocks; (iii) nucleation of holes; (iv) evolution of the components of the disconnected film to their equilibrium state. We present a continuum model that is qualitatively consistent with the evolution of the film observed at the initial stage of the experiment and discuss the later stages of the evolution of surface structures.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Possible action mechanism of the electromagnetic fields in the liver cancer development: A mathematical proposal

Currently it is known that electromagnetic field exposure can induce biological changes, although the precise effects and action mechanism of the interaction between the electromagnetic field and biological systems are not well understood. In this work we propose a possible action mechanism, concerning the effect that the extremely low frequency electromagnetic field exposure has on the early stage of liver cancer development. The model is developed studying the phenomena called oxidative stress that it appears after it is applied a carcinogenic agent used to induce hepatic cancer chemically in an experimental animal model. This physical-chemical process involves the movement of magnetic field dependent free charged particles, called free radicals. We will consider the use of the radical pairs theory as a framework, in which we will describe the spin density operator evolution by implementing the stochastic Liouville equation with hyperfine interaction. This describes how the selectivity of the interaction between spin states of the free radicals with the applied electromagnetic field, influences the development of pre-neoplastic lesions in the liver. AIP Publishing is retracting this article due to the substantial use of content in the Results and Conclusions section without proper citation of a previously published paper in Chemical Physics Letters 361 (2012) 219-225. This article is retracted from the scientific record with effect from 15 October 2015.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Mathematical analysis as required by a tachyonic observer

We rely on an analysis of initial states of the wave function associated with the simplest relativistic particle—the Weyl neutrino—to construct two series of representations of SL(2,R), or of the twofold cover of this group, by operators acting on scalar functions defined on the real line. The first one, which depends on a parameter p= 0, 1, …, contains the usual one-dimensional metaplectic, or oscillator, representation. The second one, a series of representations no longer unitary but, for certain values of the parameter, pseudo-unitary with respect to some non-degenerate indefinite pseudo-scalar product, is built in a comparable way, only exchanging the time coordinate with one of the spatial ones. The first series of representations was originally introduced in connection with automorphic pseudodifferential analysis; the second one is new, except for one value of the (continuous, in this case) parameter ρ, in which case it coincides with the recently introduced anaplectic representation. For each value of the parameter λ (=p or ρ), the basic operators Q and P from the usual Heisenberg pair give way to a new pair (Q, P{sub λ}) and to another analysis of functions on the real line, with as rich a collection of (most of the time totally new) symmetries as the usual one. The unusual set of coordinates in Minkowski's space under consideration can be regarded as corresponding to a “tachyonic observer,” a notion which does not require venturing into debatable questions of Physics. On the other hand, the paper indicates in a special example the way one may recover well-posedness (in a non-classical sense) for an initial-value problem with data on a timelike surface.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Variational symmetries, conserved quantities and identities for several equations of mathematical physics

We find variational symmetries, conserved quantities and identities for several equations: envelope equation, Böcher equation, the propagation of sound waves with losses, flow of a gas with losses, and the nonlinear Schrödinger equation with losses or gains, and an electro-magnetic interaction. Most of these equations do not have a variational description with the classical variational principle and we find such a description with the generalized variational principle of Herglotz.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

New risk metrics and mathematical tools for risk analysis: Current and future challenges

The current status of the food safety supply world wide, has led Food and Agriculture Organization (FAO) and World Health Organization (WHO) to establishing Risk Analysis as the single framework for building food safety control programs. A series of guidelines and reports that detail out the various steps in Risk Analysis, namely Risk Management, Risk Assessment and Risk Communication is available. The Risk Analysis approach enables integration between operational food management systems, such as Hazard Analysis Critical Control Points, public health and governmental decisions. To do that, a series of new Risk Metrics has been established as follows: i) the Appropriate Level of Protection (ALOP), which indicates the maximum numbers of illnesses in a population per annum, defined by quantitative risk assessments, and used to establish; ii) Food Safety Objective (FSO), which sets the maximum frequency and/or concentration of a hazard in a food at the time of consumption that provides or contributes to the ALOP. Given that ALOP is rather a metric of the public health tolerable burden (it addresses the total ‘failure’ that may be handled at a national level), it is difficult to be interpreted into control measures applied at the manufacturing level. Thus, a series of specific objectives and criteria for performance of individual processes and products have been established, all of them assisting in the achievement of FSO and hence, ALOP. In order to achieve FSO, tools quantifying the effect of processes and intrinsic properties of foods on survival and growth of pathogens are essential. In this context, predictive microbiology and risk assessment have offered an important assistance to Food Safety Management. Predictive modelling is the basis of exposure assessment and the development of stochastic and kinetic models, which are also available in the form of Web-based applications, e.g., COMBASE and Microbial Responses Viewer), or introduced into user-friendly softwares, (e.g., Seafood Spoilage Predictor) have evolved the use of information systems in the food safety management. Such tools are updateable with new food-pathogen specific models containing cardinal parameters and multiple dependent variables, including plate counts, concentration of metabolic products, or even expression levels of certain genes. Then, these tools may further serve as decision-support tools which may assist in product logistics, based on their scientifically-based and “momentary” expressed spoilage and safety level.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗