Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “stabilization method”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Explainable Bayesian Neural Network for Probabilistic Transient Stability Analysis Considering Wind Energy

While several data-driven models have been developed for transient stability assessment, how to consider the uncertainties from load and renewable generations and provide interpretation of data-driven assessment results are still open. This paper proposes an explainable Bayesian Neural Network (BNN) for probabilistic transient stability assessment (TSA). By extracting the uncertainties from loads and wind farms, the BNN model can make a reliable prediction and quantify the prediction uncertainties. We also develop the Gradient Shap algorithm to make the global and local explanations for the probabilistic TSA model, a significant advantage over existing black-box data-driven methods. Numerical results on the modified IEEE 39-bus system show that the proposed method outperforms the existing methods in terms of prediction accuracy and uncertainty quantification capabilities. The explainability of the proposed method allows system operators to design preventive controls for enhancing system stability.

Bayesian Neural Network↗
DOE OSTI2019

Elastic Properties of Lithium and Sodium Amides

This paper presents the optimization of the structural parameters of tetragonal and orthorhombic crystals α-LiNH{sub 2} and α-NaNH{sub 2} and computation of elastic constants and flexibility coefficients using the all-electron implementation of the Gaussian and augmented plane wave density functional method. The obtained elastic constants satisfy all conditions of mechanical stability of LiNH{sub 2} and α-NaNH{sub 2} crystals. From the viewpoint of elastic properties, α-LiNH{sub 2} crystal is isotropic, while α-NaNH{sub 2} crystal is rather anisotropic. Anisotropy under compression in α-NaNH{sub 2} crystal is higher than that under shear. The former is brittle, the latter is more plastic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Composting toilets as a sustainable alternative to urban sanitation – A review

Highlights: • Composting toilets can be an alternative to flush based sanitation. • Many different composting toilet designs are available. • Composting is affected by moisture content, temperature, carbon to nitrogen ratio. • There are many barriers to composting toilets. • Research is needed in science based design of composting toilets. - Abstract: In today’s flush based urban sanitation systems, toilets are connected to both the centralized water and wastewater infrastructures. This approach is not a sustainable use of our water and energy resources. In addition, in the U.S., there is a shortfall in funding for maintenance and upgrade of the water and wastewater infrastructures. The goal of this paper was to review the current knowledge on composting toilets since this technology is decentralized, requires no water, creates a value product (fertilizer) and can possibly reduce the burden on the current infrastructure as a sustainable sanitation approach. We found a large variety of composting toilet designs and categorized the different types of toilets as being self contained or central; single or multi chamber; waterless or with water/foam flush, electric or non-electric, and no-mix or combined collection. Factors reported as affecting the composting process and their optimum values were identified as; aeration, moisture content (50–60%), temperature (40–65 °C), carbon to nitrogen ratio (25–35), pH (5.5–8.0), and porosity (35–50%). Mass and energy balance models have been created for the composting process. However there is a literature gap in the use of this knowledge in design and operation of composting toilets. To evaluate the stability and safety of compost for use as fertilizer, various methods are available and the temperature–time criterion approach is the most common one used. There are many barriers to the use of composting toilets in urban settings including public acceptance, regulations, and lack of knowledge and experience in composting toilet design and operation and program operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Theoretical study of the coordination behavior of formate and formamidoximate with dioxovanadium( v ) cation: implications for selectivity towards uranyl

Poly(acrylamidoxime)-based fibers bearing random mixtures of carboxylate and amidoxime groups are the most widely utilized materials for extracting uranium from seawater. However, the competition between uranyl (UO 2 2+ ) and vanadium ions poses a significant challenge to the industrial mining of uranium from seawater using the current generation of adsorbents. To design more selective adsorbents, a detailed understanding of how major competing ions interact with carboxylate and amidoxime ligands is required. In this work, we employ density functional theory (DFT) and wave-function methods to investigate potential binding motifs of the dioxovanadium ion, VO 2 + , with water, formate, and formamidoximate ligands. Employing higher level of theory calculations (CCSD(T)) resolve the existing controversy between the experimental results and previous DFT calculations for the structure of the hydrated VO 2 + ion. Consistent with the EXAFS data, CCSD(T) calculations predict higher stability of the distorted octahedral geometry of VO 2 + (H 2 O) 4 compared to the five-coordinate complex with a single water molecule in the second hydration shell, while all seven tested DFT methods yield the reverse stability of the two conformations. Analysis of the relative stabilities of formate-VO 2 + complexes indicates that both monodentate and bidentate forms may coexist in thermodynamic equilibrium in solution, with the equilibrium balance leaning more towards the formation of monodentate species. Investigations of VO 2 + coordination with the formamidoximate anion has revealed the existence of seven possible binding motifs, four of which are within ~ 4.0 kcal/mol of each other. Calculations establish that the most stable binding motif entails the coordination of oxime oxygen and amide nitrogen atoms via a tautomeric rearrangement of amidoxime to imino hydroxylamine. Lastly, the difference in the most stable VO 2 + and UO 2 2+ binding conformation has important implications for the design of more selective UO 2 2+ ligands.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2013

Modeling Fission Product Sorption in Graphite Structures

The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high- temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products on each type of graphite site. The model will include multiple simultaneous adsorbing species, which will allow for competitive adsorption effects between different fission product species and O and OH (for modeling accident conditions).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Development of microheaters for gas sensor with an AT-Mega 8535 temperature controller using a PWM (pulse width modulation) method

Microheater is the main component in gas sensor characterized by their sensitivity, selectivity, and time response of gas sensor which is depend on the microheater temperature stability. A Cu microheater was developed and utilized AT-Mega 8535 controller using a PWM (pulse width modulation) method. This control system is interfaced to the PC to observe the real time temperature response of the microheater. Three initial resistance (R0) variations of microheater were developed in an open loop control system. The power characteristic of designed microheater depends on the specified microheater initial resistance. The smaller R0, the less power required to reach a temperature setting value. The developed microheater was designed to reach a temperature setting value of 250°C having resistance 0.531 Ω for 1.979 Watt and 0.265 Ω for 1.072 Watt respectively. The results of the investigation on the control performances shows microheater-control system achieved operating temperature up to 250°C. The response of the temperature control shows smallest R0 resulted in a high stability with short settling time, short delay time and small ripple for temperature setting values higher than 150°C. The obtained error of microheater temperature with R0 = 0.265 is 8.596 %. It is concluded that the developed microheater can be utilized as a component of a gas sensor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Design and Stability of Load-Side Primary Frequency Control in Power Systems

We present a systematic method to design ubiquitous continuous fast-acting distributed load control for primary frequency regulation in power networks, by formulating an optimal load control (OLC) problem where the objective is to minimize the aggregate cost of tracking an operating point subject to power balance over the network. We prove that the swing dynamics and the branch power flows, coupled with frequency-based load control, serve as a distributed primal-dual algorithm to solve OLC. We establish the global asymptotic stability of a multimachine network under such type of load-side primary frequency control. These results imply that the local frequency deviations on each bus convey exactly the right information about the global power imbalance for the loads to make individual decisions that turn out to be globally optimal. Simulations confirm that the proposed algorithm can rebalance power and resynchronize bus frequencies after a disturbance with significantly improved transient performance.

Zhao, CH↗
DOE OSTI2018

First Principles Prediction of Structure, Structure Selectivity, and Thermodynamic Stability under Realistic Conditions

Novel materials are often the enabler for new energy technologies. In ab-initio computational materials science, method are developed to predict the behavior of materials starting from the laws of physics, so that properties can be predicted before compounds have to be synthesized and tested. As such, a virtual materials laboratory can be constructed, saving time and money. The objectives of this program were to develop first-principles theory to predict the structure and thermodynamic stability of materials. Since its inception the program focused on the development of the cluster expansion to deal with the increased complexity of complex oxides. This research led to the incorporation of vibrational degrees of freedom in ab-initio thermodynamics, developed methods for multi-component cluster expansions, included the explicit configurational degrees of freedom of localized electrons, developed the formalism for stability in aqueous environments, and culminated in the first ever approach to produce exact ground state predictions of the cluster expansion. Many of these methods have been disseminated to the larger theory community through the Materials Project, pymatgen software, or individual codes. We summarize three of the main accomplishments.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Stability analysis of the Euler discretization for SIR epidemic model

In this paper we consider a discrete SIR epidemic model obtained by the Euler method. For that discrete model, existence of disease free equilibrium and endemic equilibrium is established. Sufficient conditions on the local asymptotical stability of both disease free equilibrium and endemic equilibrium are also derived. It is found that the local asymptotical stability of the existing equilibrium is achieved only for a small time step size h. If h is further increased and passes the critical value, then both equilibriums will lose their stability. Our numerical simulations show that a complex dynamical behavior such as bifurcation or chaos phenomenon will appear for relatively large h. Both analytical and numerical results show that the discrete SIR model has a richer dynamical behavior than its continuous counterpart.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The Influence of Surface-Modification Technology on the Spectral Characteristics of Hydrophilic CdSe/ZnS Nanoparticles upon Interaction with Polyelectrolytes

The spectral and kinetic characteristics of CdSe/ZnS nanoparticles (NPs) surface-modified with cysteamine by two different methods are considered upon interaction with polyelectrolytes. With the use of steady-state and time-resolved fluorescence spectroscopies, it is shown that the fluorescence intensity and stability of NPs in the presence of polyelectrolytes depend on the surface-modification method. It is found that hydrophilic NPs obtained at the interface between two immiscible liquids (chloroform–water) are more resistant to aggregation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Acceleration of the IMplicit–EXplicit nonhydrostatic unified model of the atmosphere on manycore processors

We present the acceleration of an IMplicit-EXplicit (IMEX) nonhydrostatic atmospheric model on manycore processors such as graphic processing units (GPUs) and Intel's Many Integrated Core (MIC) architecture. IMEX time integration methods sidestep the constraint imposed by the Courant-Friedrichs-Lewy condition on explicit methods through corrective implicit solves within each time step. In this work, we implement and evaluate the performance of IMEX on manycore processors relative to explicit methods. Using 3D-IMEX at Courant number C = 15, we obtained a speedup of about 4x relative to an explicit time stepping method run with the maximum allowable C = 1. Moreover, the unconditional stability of IMEX with respect to the fast waves means the speedup can increase significantly with the Courant number as long as the accuracy of the resulting solution is acceptable. We show a speedup of 100x at C = 150 using 1D-IMEX to demonstrate this point. Several improvements on the IMEX procedure were necessary in order to outperform our results with explicit methods: (a) reducing the number of degrees of freedom of the IMEX formulation by forming the Schur complement, (b) formulating a horizontally explicit vertically implicit 1D-IMEX scheme that has a lower workload and better scalability than 3D-IMEX, (c) using high-order polynomial preconditioners to reduce the condition number of the resulting system, and (d) using a direct solver for the 1D-IMEX method by performing and storing LU factorizations once to obtain a constant cost for any Courant number. Without all of these improvements, explicit time integration methods turned out to be difficult to beat. We discuss in detail the IMEX infrastructure required for formulating and implementing efficient methods on manycore processors. Several parametric studies are conducted to demonstrate the gain from each of the abovementioned improvements. Lastly, we validate our results with standard benchmark problems in numerical weather prediction and evaluate the performance and scalability of the IMEX method using up to 4192 GPUs and 16 Knights Landing processors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Tuning Organic Electrochemical Transistor Threshold Voltage using Chemically Doped Polymer Gates

Organic electrochemical transistors (OECTs) have shown promise as transducers and amplifiers of minute electronic potentials due to their large transconductances. Tuning the OECT threshold voltage is important to achieve low-powered devices with amplification properties within the desired operational voltage range. However, traditional design approaches have struggled to decouple channel and materials properties from threshold voltage, thereby compromising on several other OECT performance metrics, such as electrochemical stability, transconductance, and dynamic range. In this work, simple solution-processing methods are utilized to chemically dope polymer gate electrodes, thereby controlling their work function, which in turn tunes the operation voltage range of the OECTs without perturbing their channel properties. Chemical doping of initially air-sensitive polymer electrodes further improves their electrochemical stability in ambient conditions. Thus, OECTs that are simultaneously low-powered and electrochemically resistant to oxidative side reactions under ambient conditions are demonstrated. Furthermore, this approach shows that threshold voltage, which is once interwoven with other OECT properties, can in fact be an independent design parameter, expanding the design space of OECTs.

chemical doping↗
DOE OSTI2014

Calculation of contact angles at triple phase boundary in solid oxide fuel cell anode using the level set method

A level set method is applied to characterize the three dimensional structures of nickel, yttria stabilized zirconia and pore phases in solid oxide fuel cell anode reconstructed by focused ion beam-scanning electron microscope. A numerical algorithm is developed to evaluate the contact angles at the triple phase boundary based on interfacial normal vectors which can be calculated from the signed distance functions defined for each of the three phases. Furthermore, surface tension force is estimated from the contact angles by assuming the interfacial force balance at the triple phase boundary. The average contact angle values of nickel, yttria stabilized zirconia and pore are found to be 143°–156°, 83°–138° and 82°–123°, respectively. The mean contact angles remained nearly unchanged after 100 hour operation. However, the contact angles just after reduction are different for the cells with different sintering temperatures. In addition, standard deviations of the contact angles are very large especially for yttria stabilized zirconia and pore phases. The calculated surface tension forces from mean contact angles were close to the experimental values found in the literature. Slight increase of surface tensions of nickel/pore and nickel/yttria stabilized zirconia were observed after operation. Present data are expected to be used not only for the understanding of the degradation mechanism, but also for the quantitative prediction of the microstructural temporal evolution of solid oxide fuel cell anode. - Highlights: • A level set method is applied to characterize the 3D structures of SOFC anode. • A numerical algorithm is developed to evaluate the contact angles at the TPB. • Surface tension force is estimated from the contact angles. • The average contact angle values are found to be 143o-156o, 83o-138o and 82o-123o. • Present data are expected to understand degradation and predict evolution of SOFC.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Polymers and methods for their manufacture

Embodiments of the invention relate to a novel class of polymers with superior mechanical properties and chemical stability, as compared to known polymers. These polymers are particularly well suited for use in anion exchange membranes (AEMs), including those employed in fuel cells. Novel methods for the manufacture of these polymers are also described.

Bae, Chulsung↗
DOE OSTI2022

Polymers and methods for their manufacture

Embodiments of the invention relate to a novel class of polymers with superior mechanical properties and chemical stability, as compared to known polymers. These polymers are particularly well suited for use in anion exchange membranes (AEMs), including those employed in fuel cells. Novel methods for the manufacture of these polymers are also described.

Bae, Chulsung↗
DOE OSTI2023

Polymers and methods for their manufacture

Embodiments of the invention relate to a novel class of polymers with superior mechanical properties and chemical stability, as compared to known polymers. These polymers are particularly well suited for use in anion exchange membranes (AEMs), including those employed in fuel cells. Novel methods for the manufacture of these polymers are also described.

Bae, Chulsung↗
DOE OSTI2014

Investigation of structural stability and elastic properties of Zrh and Zrh{sub 2}: A first principles study

The electronic, structural and mechanical properties of ZrH and ZrH{sub 2} are investigated by means of first principles calculation based on density functional theory as implemented in VASP code with generalized gradient approximation. The calculated ground state properties are in good agreement with previous experimental and other theoretical results. Among the six crystallographic structures considered for ZrH, ZB phase is found to be the most stable phase, whereas ZrH{sub 2} is energetically stable in tetragonal structure at ambient condition. A structural phase transition from ZB→NaCl at a pressure 10 GPa is predicted for ZrH.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗