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At least 235 records · Page 13

Application of First Principles Model to Spacecraft Operations

Previous models use a single phase reaction; cycled cell predicts cannot be met with a single phase; interphase conversion provides means for film aging; aging cells predictions display typical behaviors: pressure changes in NiH² cells; voltage fading upon cycling; second plateau on discharge of cycled cells; negative limited behavior for Ni-Cds.

batteries electrodes First Principles Model Ni-Cd ↗

Assessment of uranium nitride interatomic potentials

Uranium mononitride (UN) is a promising nuclear fuel due to its high fissile density, high thermal conductivity, and suitability for reprocessing. In this study, two uranium nitride interatomic potentials are assessed: Tseplyaev and Starikov's angular-dependent potential and Kocevski et al.'s embedded atom model potential. Predictions of the thermophysical and elastic properties of UN, UN 2 , and α- and β-U 2 N 3 computed using both potentials are assessed and compared to available experimental data. Notably, the Tseplyaev potential performs better with the energetic aspects of UN, e.g., specific heat capacity and point defect formation energies, whereas the Kocevski potential performs better with the structural aspects of UN, e.g., thermal expansion as well as with the elastic properties. The reasons why the Kocevski potential underestimates the UN specific heat are explained by examining the UN phonon properties modeled using both potentials. The Kocevski potential shows better identification of the mechanical stability ranges of UN, UN 2 , and α- and β-U 2 N 3 , reasonably predicting the melting point of UN and predicting stable structures for UN 2 and α- and β-U 2 N 3 . On the other hand, the Tseplyaev potential predicts a premature phase change of both UN and UN 2 and cannot stabilize α- nor β-U 2 N 3 . However, the Kocevski potential cannot predict a stable α-U phase and is thus not suitable for the calculation of formation energies for non-stoichiometric point defects.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Unsteady blade pressure measurements for the SR-7A propeller at cruise conditions

The unsteady blade surface pressures were measured on the SR-7A propeller. The freestream Mach number, inflow angle, and advance ratio were varied while measurements were made at nine blade stations. At a freestream Mach number of 0.8, the data in terms of unsteady pressure coefficient versus azimuth angle are compared to an unsteady three-dimensional Euler solution, yielding very encouraging results. The code predicts the shape (phase) of the waveform very well, while the magnitude is over-predicted in many cases. At tunnel Mach numbers below 0.6, an unusually large response on the suction surface at 0.15 chord and 0.88 radius was observed. The behavior of this response suggests the presence of a leading-edge vortex.

Heidelberg, L. J.↗

A micromechanics model for the effective Young's modulus of a piecewise-isotropic laminate with wavy patterns

A mathematical model based on the Euler-Bernoulli beam theory is proposed for predicting the effective Young's moduli of piece-wise isotropic composite laminates with wavy patterns in the main load-carrying layers. Strains in corrugated layers, in-phase layers, and out-of-phase layers are predicted for various geometries and material configurations by assuming matrix layers as elastic foundations. Experimental results obtained from corrugated aluminum specimens and aluminum/epoxy specimens with in-phase and out-of-phase wavy patterns coincide very well with the predictions. The work represents a preliminary effort toward further generalization of the model for two-dimensional anisotropic laminates containing wavy patterns in the main load-carrying layers.

Lee, Jong-Won↗

A Global Model for Estimating Atmospheric Phase Scintillation Statistics

Since 2007, the National Aeronautics and Space Administration (NASA) has been collecting atmospheric phase turbulence data from various NASA ground stations throughout the world. The goal of these measurement campaigns has been to generate statistics to characterize the local site turbulence conditions and their impact on widely distributed ground based antenna arrays. This is of critical importance for the situation of uplink arraying, in which a priori knowledge of the fast varying turbulent conditions of water vapor in the troposphere may not be known, and will impact the power combining efficiency of ground based transmitting arrays. Therefore, the design of these type of systems will be dependent on the local climatology of the particular ground station site. Based on the 30+ station years of data collected characterizing atmospheric phase scintillation statistics at various sites, a global model is presented which attempts to predict the average phase statistics of a generic site based on local surface weather data, such as surface pressure, temperature, relative humidity, wind speed, and median wind direction. A model is proposed and based on a standard log power distribution similar to amplitude scintillation models trained on the existing data sets and shows reasonable accuracy against existing data sets.

propagation↗

Unsteady blade pressures on a propfan at takeoff: Euler analysis and flight data

The unsteady blade pressures due to the operation of the propfan at an angle to the direction of the mean flow are obtained by solving the unsteady three dimensional Euler equations. The configuration considered is the eight bladed SR7L propfan at takeoff conditions and the inflow angles considered are 6.3 deg, 8.3 deg, 11.3 deg. The predicted blade pressure waveforms are compared with inflight measurements. At the inboard radial station (r/R = 0.68) the phase of the predicted waveforms show reasonable agreement with the measurements while the amplitudes are over predicted in the leading edge region of the blade. At the outboard radial station (r/R = 0.95), the predicted amplitudes of the waveforms on the pressure surface are in good agreement with flight data for all inflow angles. The measured (installed propfan) waveforms show a relative phase lag compared to the computed (propfan alone) waveforms. The phase lag depends on the axial location of the transducer and the surface of the blade. On the suction surface, in addition to the relative phase lag, the measurements show distortion (widening and steepening) of the waveforms. The extent of distortion increases with increase in inflow angle. This distortion seems to be due to viscous separation effects which depend on the azimuthal location of the blade and the axial location of the transducer.

Nallasamy, M.↗

Unsteady blade pressures on a propfan at takeoff - Euler analysis and flight data

The unsteady blade pressures due to the operation of the propfan at an angle to the direction of the mean flow are obtained by solving the unsteady three dimensional Euler equations. The configurations considered is the eight bladed SR7L propfan at takeoff conditions and the inflow angles considered are 6.3 deg, 8.3 deg, 11.3 deg. The predicted blade pressure waveforms are compared with inflight measurements. At the inboard radial station (r/R = 0.68) the phase of the predicted waveforms show reasonable agreement with the measurements while the amplitudes are over predicted in the leading edge region of the blade. At the outboard radial station (r/R = 0.95), the predicted amplitudes of the waveforms on the pressure surface are in good agreement with flight data for all inflow angles. The measured (installed propfan) waveforms show a relative phase lag compared to the computed (propfan alone) waveforms. The phase lag depends on the axial location of the transducer and the surface of the blade. On the suction surface, in addition to the relative phase lag, the measurements show distortion (widening and steepening) of the waveforms. The extend of distortion increases with increase in inflow angle. This distortion seems to be due to viscous separation effects which depend on the azimuthal location of the blade and the axial location of the transducer.

Nallasamy, M.↗

Heterostructural Alloy Phase Diagram for (Cd 1-x Zn x ) 3 As 2

Alloying the topological semimetal Cd 3 As 2 with Zn 3 As 2 provides a potential route for controlling the electronic properties. We predict the alloy phase diagram from first-principles calculations, considering that both end members have a crystal structure derived from the antifluorite lattice, but with different arrangements of the unoccupied cation sites. To overcome the limitations of the regular solution approximation and to include short-range order effects, we perform Monte Carlo simulations, parameterize the temperature dependence of the mixing enthalpy ΔH m , and perform thermodynamic integration of the free energy. The resulting phase diagram exhibits features that are unique to heterostructural alloy systems and provides computational predictions of solubility limits and composition ranges that are stable against spinodal decomposition.

36 MATERIALS SCIENCE↗

The phase relationship between gyrophase-bunched ions and MHD-like waves

Recent calculations and computer simulations of the right-hand resonant ion beam instability have indicated that gyrophase-bunched ion distributions may be generated as a first step in the disruption of field-aligned beams. Theory predicts a distinct phase angle relationship between the gyrovelocity of the phase-bunched ions and the wave magnetic field. In this paper, observations of such a relationship between gyrophase-bunched ions and MHD-like waves upstream from the earth's bow shock are presented. The observed phases are in accord with the theoretical predictions of the right-hand resonant ion beam instability.

Fuselier, S. A.↗

Computing Availability And Reliability For A System

Elements contributing most to failure of system identified quickly. Reliability/Availability Analysis (RELAV) computer program is comprehensive analytical software tool to determine reliability or availability of any general system modeled as embedded k-out-of-n groups of items (components) and/or subgroups. Used to assess performance of system during late testing phase of design of system, to model candidate designs and/or architectures, or to validate and form predictions during early phases of design. C-language program.

Bowerman, Paul N.↗

Prediction of thermal-stress and deformations due to phase change in solidifying objects via flux/stress based finite element representations

The paper presents numerical simulations for the prediction of thermal-stress and deformation fields resulting from phase change in solidifying bodies employing new finite element representations. The formulations herein demonstrated provide different perspectives and physical interpretation for the modeling/analysis of thermo-mechanical problems and possess several inherent advantages. In comparison to traditional approaches for solving similar problems, the paper employs new flux/stress based representations to enhance the overall effectiveness. Comparative numerical applications validate applicability of the formulations for predicting the temperature induced deformations and stresses resulting from effects due to phase change.

Tamma, K. K.↗

Forecasting Solar Photovoltaic Power Production: A Comprehensive Review and Innovative Data-Driven Modeling Framework

The intermittent and stochastic nature of Renewable Energy Sources (RESs) necessitates accurate power production prediction for effective scheduling and grid management. This paper presents a comprehensive review conducted with reference to a pioneering, comprehensive, and data-driven framework proposed for solar Photovoltaic (PV) power generation prediction. The systematic and integrating framework comprises three main phases carried out by seven main comprehensive modules for addressing numerous practical difficulties of the prediction task: phase I handles the aspects related to data acquisition (module 1) and manipulation (module 2) in preparation for the development of the prediction scheme; phase II tackles the aspects associated with the development of the prediction model (module 3) and the assessment of its accuracy (module 4), including the quantification of the uncertainty (module 5); and phase III evolves towards enhancing the prediction accuracy by incorporating aspects of context change detection (module 6) and incremental learning when new data become available (module 7). This framework adeptly addresses all facets of solar PV power production prediction, bridging existing gaps and offering a comprehensive solution to inherent challenges. By seamlessly integrating these elements, our approach stands as a robust and versatile tool for enhancing the precision of solar PV power prediction in real-world applications.

14 SOLAR ENERGY↗

Possible evidence of excitonic condensation in a topological insulator

The transient excitonic condensate is a nonequilibrium electron-hole Bardeen-Cooper-Schrieffer state in a photoexcited semiconductor and semimetal, where electron-hole pairs undergo a phase transition and condense into a single coherent quantum state. Despite numerous experimental works to realize the predicted excitonic condensation phase, experimental evidence still remains elusive. This is largely due to the absence of direct measurements of a material's transient momentum-dependent electronic structure and the excitonic state in the condensation regime. Here, using time and angle-resolved photoemission spectroscopy, we find direct evidence of a transient excitonic condensate in the spin-polarized spatially indirect excitonic topological states in Bi2Te3. Accompanying the formation of the excitonic topological states by photoexcitation, we reveal a splitting of the hole's and electron's quasi-equilibrium chemical potential followed by the band flattening and backbending of the transient topological surface state. Moreover, within the same momentum range, we report a reshaping of the bulk valence band in the form of a Mexican-hat-like Bogoliubov dispersion-hallmarks of the excitonic condensation, followed by the opening of an energy gap at the Fermi level. The fluence and temperature dependence of these renormalization effects are reminiscent of excitonic condensation within Bardeen-Cooper-Schrieffer (BCS)-like behavior. These results, together with theoretical simulation, point to the possible formation of a transient excitonic condensate and provide opportunities to manipulate topologically protected Bose condensates with light.

ARPES↗

SSME fuel preburner phase 1/phase 2+ comparison

An analytical comparison of the predicted combustion flowfields for the Phase 1 and Phase 2+ fuel preburner configurations using an advanced CFD combustion code is currently underway at Rocketdyne. The Phase 2+ injector has a modified element design. The redesigned element provides for improved atomization through a shift in the injector element/face bleed flow split while maintaining an acceptable pressure drop. Cold-flow tests of the new design have been encouraging. As a complement to those tests, the Advanced Rocket Injector Combustor Code (ARICC) was selected to conduct a detailed combustion flowfield simulation. ARICC models two-dimensional (or axisymmetric), transient, turbulent, two-phase mixing and combustion flowfields. It is derived from a member of the Los Alamos ICEd-ALE family of codes. Unique features of ARICC include explicit representation of the coaxial LOX jet and hydrogen gas flows, distributed atomization processes, droplet breakup, and supercritical vaporation processes. Predictions of temperature and OH concentration profiles for the Phase 1 and Phase 2+ injector flowfields indicate a trend toward more uniform temperature distributions and shorter flame lengths with the Phase 2+ design.

Jensen, R. J.↗

Microstructural evolution and phase stability in Nb-containing interstitial Fe-Mn-Co-Cr-C high-entropy alloys: An in-situ synchrotron X-ray diffraction study during laser melting

The influence of Nb on phase stability and microstructural evolution in an interstitial Fe-Mn-Co-Cr-C high-entropy alloy was investigated using in-situ synchrotron X-ray diffraction (SXRD) during laser melting. Scheil-Gulliver simulations predict the formation of σ and γ-f.c.c. phases in all three alloys, along with NbC in Nb-containing compositions. SXRD confirmed the presence of most predicted phases, but the σ phase was absent. Nb promotes crystallite refinement and increases dislocation density, though excessive additions reduce refinement efficiency due to solubility limits and secondary phase formation. Furthermore, Nb addition also enhances ε-h.c.p. phase formation by reducing stacking fault energy through NbC-induced carbon depletion. Analysis of intensity peak evolution reveals that Nb alters preferred grain orientations, reducing {111} γ intensity while enhancing {220} γ , leading to a more isotropic grain distribution. Overall, Nb plays a key role in phase selection, microstructure refinement, and preferred orientation evolution, allowing the tailored microstructure of high-entropy alloys via rapid solidification.

Interstitial high entropy alloys↗

Origin of metal-insulator transitions in the parent compounds of ruthenium-pnictide superconductors

Here we study the interplay of the structural phase transition, flat electronic band dispersion, and metal-to-insulator transition (MIT) in the parent compounds of the Ru-pnictide superconductors by using first-principles calculations. Our electron and phonon calculations reveal that Ru(P,As) undergo MIT accompanied by orthorhombic to monoclinic distortion at low temperature, but RuSb stays orthorhombic and metallic in agreement with the experimental findings. It is demonstrated that electronic correlation, as treated in DFT + U, DFT + Gutzwiller, and dynamical mean-field theory (DMFT), cannot induce MIT in the undistorted crystal structure. We find that, although small monoclinic distortion can remove the van Hove singularity at the Fermi level, it does not immediately gap out the Fermi surface and a large value of monoclinic distortion is necessary for a clear MIT, suggesting the possibility of an intermediate pseudogapped monoclinic metallic phase. Furthermore, we predict a light-induced two-step insulator-to-metal and structural transitions in the monoclinic phases of RuP and RuAs, which can be tested in future ultrafast pump-probe experiments as an alternative ideal playground to VO 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Advanced Methods for Determining Prediction Uncertainty in Model-Based Prognostics with Application to Planetary Rovers

Prognostics is centered on predicting the time of and time until adverse events in components, subsystems, and systems. It typically involves both a state estimation phase, in which the current health state of a system is identified, and a prediction phase, in which the state is projected forward in time. Since prognostics is mainly a prediction problem, prognostic approaches cannot avoid uncertainty, which arises due to several sources. Prognostics algorithms must both characterize this uncertainty and incorporate it into the predictions so that informed decisions can be made about the system. In this paper, we describe three methods to solve these problems, including Monte Carlo-, unscented transform-, and first-order reliability-based methods. Using a planetary rover as a case study, we demonstrate and compare the different methods in simulation for battery end-of-discharge prediction.

prognosis↗

Predicted Ferromagnetism in Discovered Co–Bi Binary Phases

Binary solid-state materials offer unique insight into how the interplay of factors such as stoichiometry and bonding interactions affects magnetism and electronic properties. In this work, we considered systems where a transition metal provides the spin moment and a heavy main group element bolsters strong spin–orbit coupling. Within this context, cobalt, a known component of permanent magnets, and bismuth, functionally the heaviest element stable to radioactive decay, form a compelling combination. The Co–Bi system has been previously shown to exhibit superconductivity in a phase recovered from high pressure. We expected the Co−Bi system could also be ferromagnetic, resulting in two sets of compounds within one chemical system, one superconducting and one ferromagnetic. Subsequently, we investigated the Co–Bi system through both experimental and theoretical approaches to discover new candidates for permanent magnets. Ab initio random structure searching calculations identified five new compounds with diverse structural motifs that may form at higher pressures than previously reported. Experimental high-pressure synthesis yielded four compounds: α-CoBi, α-CoBi 2 , β-CoBi, and β-CoBi 2 . Three of these phases, α-CoBi 2 , β-CoBi, and β-CoBi 2 , were consistent with the calculated structures, corresponding to a 60% success rate for our structure search and underscoring the strength of combining computation with experiment. Theory predicts β-CoBi and β-CoBi2 are ferromagnetic, with β-CoBi possessing larger magnetocrystalline anisotropy energy than familiar permanent magnets such as CoPt and Nd–Fe–B. These results suggest the Co–Bi system could be a platform for understanding the factors that underpin magnetism and, to an extent, superconductivity in a chemically simple binary system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗