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DOE OSTI2021

A combined experimental and computational analysis of failure mechanisms in open-hole cross-ply laminates under flexural loading

In this work, integrated experimental tests and computational modeling are proposed to investigate the failure mechanisms of open-hole cross-ply carbon fiber reinforced polymer (CFRP) laminated composites. In particular, we propose two effective methods, which include width-tapered double cantilever beam (WTDCB) and fixed-ratio mixed-mode end load split (FRMMELS) tests, to obtain the experimental data more reliably. We then calibrate the traction-separation laws of cohesive zone model (CZM) used among laminas of the composites by leveraging these two methods. The experimental results of fracture energy, i.e. G Ic and G Tc , obtained from WTDCB and FRMMELS tests are generally insensitive to the crack length thus requiring no effort to accurately measure the crack tip. Moreover, FRMMELS sample contains a fixed mixed-mode ratio of G IIc /G Tc depending on the width taper ratio. Examining comparisons between experimental results of FRMMELS tests and failure surface of B–K failure criterion predicted from a curve fitting, good agreement between the predictions and experimental data has been found, indicating that FRMMELS tests are an effective method to determine mixed-mode fracture criterion. In addition, a coupled experimental-computational modeling of WTDCB, edge notched flexure, and FRMMELS tests are adopted to calibrate and validate the interfacial strengths. Finally, failure mechanisms of open-hole cross-ply CFRP laminates under flexural loading have been studied systematically using experimental and multi-scale computational analyses based on the developed CZM model. The initiation and propagation of delamination, the failure of laminated layers as well as load-displacement curves predicted from computational analyses are in good agreement with what we have observed experimentally.

36 MATERIALS SCIENCE↗

NASA NTRS2003

Resonance Effects in the NASA Transonic Flutter Cascade Facility

Investigations of unsteady pressure loadings on the blades of fans operating near the stall flutter boundary are carried out under simulated conditions in the NASA Transonic Flutter Cascade facility (TFC). It has been observed that for inlet Mach numbers of about 0.8, the cascade flowfield exhibits intense low-frequency pressure oscillations. The origins of these oscillations were not clear. It was speculated that this behavior was either caused by instabilities in the blade separated flow zone or that it was a tunnel resonance phenomenon. It has now been determined that the strong low-frequency oscillations, observed in the TFC facility, are not a cascade phenomenon contributing to blade flutter, but that they are solely caused by the tunnel resonance characteristics. Most likely, the self-induced oscillations originate in the system of exit duct resonators. For sure, the self-induced oscillations can be significantly suppressed for a narrow range of inlet Mach numbers by tuning one of the resonators. A considerable amount of flutter simulation data has been acquired in this facility to date, and therefore it is of interest to know how much this tunnel self-induced flow oscillation influences the experimental data at high subsonic Mach numbers since this facility is being used to simulate flutter in transonic fans. In short, can this body of experimental data still be used reliably to verify computer codes for blade flutter and blade life predictions? To answer this question a study on resonance effects in the NASA TFC facility was carried out. The results, based on spectral and ensemble averaging analysis of the cascade data, showed that the interaction between self-induced oscillations and forced blade motion oscillations is very weak and can generally be neglected. The forced motion data acquired with the mistuned tunnel, when strong self-induced oscillations were present, can be used as reliable forced pressure fluctuations provided that they are extracted from raw data sets by an ensemble averaging procedure.

Lepicovsky, J.↗

DOE OSTI2022

Low- and intermediate-temperature oxidation of dimethyl ether up to 100 atm in a supercritical pressure jet-stirred reactor

Understanding the low- and intermediate-temperature oxidation chemistry of oxygenated fuels like dimethyl ether (DME) at high pressure is paramount to the development of advanced engines with low carbon emissions. The supercritical pressure jet-stirred reactor (SP-JSR) recently developed at Princeton provides a new platform for conducting kinetic studies at low and intermediate temperatures at extremely high pressures with a uniform temperature distribution and a short flow residence time. This paper uses the SP-JSR to investigate DME oxidation at equivalence ratios of 0.175, 1.0, and 1.72, for pressures of 10 and 100 atm, and temperatures ranging from 400 to 900 K. The results demonstrate weakened NTC behavior at 100 atm relative to 10 atm due to increased flux through QOOH + O 2 = O 2 QOOH relative to QOOH = 2 CH 2 O + OH at 100 atm. Furthermore, the intermediate-temperature oxidation window is shifted to lower temperatures at 100 atm. The experimental data are compared with several chemical kinetic models from the literature. The existing models are seen to agree quite well with the experimental data at 10 atm. However, the models fail to properly capture the NTC behavior at 100 atm. Reaction pathway analyses indicate that both the low- and intermediate-temperature chemistries are controlled by RO 2 consumption pathways. The reaction rates for several of the important reactions, such as DME + OH = CH 3 OCH 2 + H 2 O, H 2 O 2 (+M) = 2 OH (+M), and 2 HO 2 = 2 OH + O 2 are updated in this work. Furthermore, the updated model improves the predictability for all key species compared to the original model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Ab initio quantum scattering calculations for the CO–O 2 system and a new CO–O 2 potential energy surface: O 2 and air broadening of the R(0) line in CO

We present ab initio calculations of the collisional broadening of the R(0) pure rotational line in CO (at 115 GHz) perturbed by O 2 . Our calculations are done in a fully quantum way by solving close-coupling quantum-scattering equations without any approximations. We also report a new, highly accurate CO–O 2 potential energy surface on which we did the quantum-scattering calculations. The calculated collisional broadening agrees with the available experimental data in a wide temperature range. The calculated collisional shift is negligible compared to the broadening, which is also consistent with the experimental data. We combine this result with our previous calculations for the same line in CO perturbed by N 2 [Józwiak et al., J. Chem. Phys. 154, 054314 (2021)]; the obtained air-perturbed broadening of the R(0) pure rotational line in CO and its temperature dependence perfectly agree with the HITRAN database. This result constitutes an important step toward developing a methodology for providing accurate ab initio reference data on spectroscopic collisional line-shape parameters for molecular systems relevant to the Earth’s atmosphere and for populating spectroscopic line-by-line databases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Role of Inlet Boundary Conditions on Fuel-Air Mixing at Supercritical Conditions

Advanced engine design and alternative fuels present the possibility of fuel injection at purely supercritical conditions in diesel engines and gas turbines. The complex interactions that govern this phenomenon still need significant research, particularly the boundary conditions for fuel injection are critical for accurate simulation. However, the flow inside the injector itself is often omitted to reduce the computational efforts, and thus, velocity, mass flux, or total pressure is specified at the injector exit (or domain inlet), often with simplified velocity profiles and turbulence levels. This simplified inlet boundary treatment has minimal effects on results for conventional fuel injection conditions, however, the validity of this approach at supercritical conditions has not been assessed. Comprehensive real-gas and binary fluid mixing models have been implemented for computational fluid dynamics (CFD) analysis of fuel-air mixing at supercritical conditions. The model is verified using prior CFD results from the literature. The model is used to investigate the effects of the shape of axial velocity and mass fraction profiles at the inlet boundary with the goal to improve the comparison of predictions to experimental data. Results show that the boundary conditions have a significant effect on the predictions, and none of the cases match precisely with experimental data. Furthermore, the study reveals that the physical location of the inlet boundary might be difficult to infer correctly from the experiments and highlights the need for high-quality, repeatable measurements at supercritical conditions to support the development of relevant high-fidelity models for fuel-air mixing.

02 PETROLEUM↗

DOE OSTI2025

Experimental and Computational Characterization of a Modified Sioutas Cascade Impactor for Respirable Radioactive Aerosols

Oak Ridge National Laboratory is collecting and characterizing aerosols released when spent nuclear fuel (SNF) rods are fractured in bending. An aerosol collection system was designed and tested to collect respirable sized (<10 μm aerodynamic diameter [AED]) particulates inside a hot cell facility. The setup is a modified version of the commercially available Sioutas cascade impactor, to which additional stages were added to expand the aerosol collection range from 2.5 to ~15 μm AED. To accommodate the additional stages and specific test conditions, the operating flow rate for aerosol collection was reduced, and testing was conducted by using pressure drop measurements, surrogate dust collection, and particle size characterization. The fluid flow distribution within the cascade and its stages was simulated in STAR-CCM+, and the stage-wise pressure drops obtained using the computational fluid dynamics model were then compared to experimental data. Lagrangian particle simulations were also performed, and stage-wise collection statistics were obtained from the simulation for comparison with the experimental data obtained using SNF-surrogate dust particles. The results provide valuable insights into the stage-wise particle collection characteristics of the modified cascade impactor and can also be used to improve the prediction accuracy of the manufacturer-determined analytical correlations.

aerosol modeling↗

NASA NTRS1985

Computations of internal turbulent flow with large separated flow regions

An implicit two-equation turbulence solver in generalized coordinates has been developed and is used in conjunction with the three-dimensional incompressible Navier-Stokes solver, INS3D, to calculate the internal flow in one channel and in an additional channel with a sudden 2:3 expansion. A new and consistent boundary procedure for a low Reynolds number form of the kappa-epsilon turbulence model is chosen to integrate the equations up to the wall. The high Reynolds number form of the equations are integrated using wall functions. The latter approach yields a faster convergence to the steady state solution than the former. For the case of channel flow, both the wall function and wall boundary condition approaches yield results in good agreement with the experimental data. the back-step (sudden expansion) flow is calculated using wall function approach. The predictions are in reasonable agreement with the experimental data.

Kaul, U. K.↗

NASA NTRS1989

The application of 3D marching scheme for the prediction of supersonic free jets

A modified version of the upwind flux-difference scheme of Roe for supersonic flow solution is described. This efficient iterative Space Marching Scheme (SMS) is used to solve the three-dimensional, Reynolds-averaged Navier-Stokes equations, for underexpanded and overexpanded supersonic free jet with a single time sweep. Comparisons with experimental data and the Parabolized Navier-Stokes (PNS) solutions are presented. These results show that the present scheme gives good agreement with experimental data in less computer time and the convergence history of the SMS is much faster than the PNS solution.

Abdol-Hamid, Khaled S.↗

NASA NTRS1990

Application of a Reynolds stress turbulence model to the compressible shear layer

Theoretically based turbulence models have had success in predicting many features of incompressible, free shear layers. However, attempts to extend these models to the high-speed, compressible shear layer have been less effective. In the present work, the compressible shear layer was studied with a second-order turbulence closure, which initially used only variable density extensions of incompressible models for the Reynolds stress transport equation and the dissipation rate transport equation. The quasi-incompressible closure was unsuccessful; the predicted effect of the convective Mach number on the shear layer growth rate was significantly smaller than that observed in experiments. Having thus confirmed that compressibility effects have to be explicitly considered, a new model for the compressible dissipation was introduced into the closure. This model is based on a low Mach number, asymptotic analysis of the Navier-Stokes equations, and on direct numerical simulation of compressible, isotropic turbulence. The use of the new model for the compressible dissipation led to good agreement of the computed growth rates with the experimental data. Both the computations and the experiments indicate a dramatic reduction in the growth rate when the convective Mach number is increased. Experimental data on the normalized maximum turbulence intensities and shear stress also show a reduction with increasing Mach number.

Sarkar, S.↗

NASA NTRS1990

Application of a Reynolds stress turbulence model to the compressible shear layer

Sarkar, S.↗

NASA NTRS1999

Sonic Boom Prediction Exercise: Experimental Comparisons

The success of a future High Speed Civil Transport (HSCT) depends on the ability to accurately assess and, possibly, modify the sonic boom signatures of potential designs. In 1992, the Sonic Boom Steering Committee initiated a prediction exercise to assess the current computational capabilities for the accurate and efficient prediction of sonic boom signatures and loudness levels. A progress report of this effort was given at the Sonic Boom Workshop held at NASA Ames Research Center in 1993 where predictions from CFD and Modified Linear Theory (MLT) methods were given. Comparisons between the methods were made at near-, mid- and far-field locations. However, at that time, experimental data from wind-tunnel tests were not available. The current paper presents a comparison of computational results with the now available experimental data. Further comparisons between the computational methods and analyses of the discrepancies in the results are presented.

Tu, Eugene↗

NASA NTRS2005

Acoustic Source Modeling for High Speed Air Jets

The far field acoustic spectra at 90deg to the downstream axis of some typical high speed jets are calculated from two different forms of Lilley s equation combined with some recent measurements of the relevant turbulent source function. These measurements, which were limited to a single point in a low Mach number flow, were extended to other conditions with the aid of a highly developed RANS calculation. The results are compared with experimental data over a range of Mach numbers. Both forms of the analogy lead to predictions that are in excellent agreement with the experimental data at subsonic Mach numbers. The agreement is also fairly good at supersonic speeds, but the data appears to be slightly contaminated by shock-associated noise in this case.

Goldstein, Marvin E.↗

DOE OSTI2020

BISON capability and validation for U3Si2, Cr2O3-doped UO2, FeCrAl, and Cr-coated Zircaloy ATF concepts

Development, implementation, and validation of material and behavior models for accident tolerant fuel (ATF) concepts in the BISON fuel performance code began in 2014 in response to the events that occurred at the Fukushima Daichii nuclear power plant in March 2011. Early on, the focus was on U3Si2 fuel and FeCrAl cladding as part of a high-impact problem through the Nuclear Energy and Advanced Model- ing Simulation program [1]. Then, developments for Cr2O3- doped UO2 fuel, as well as SiC-SiC and Cr-coated Zircaloy cladding began based upon industry interests. Near the end of fiscal year 2018 the Consortium for Advanced Simulation of Light Water Reactors took over further Accident Tolerant Fuel (ATF) work in BISON in support of Nuclear Regulatory Commission (NRC) engagement. Discussions with the NRC clarified their list of priority fuel and cladding concepts, which included Cr2O3-doped UO2 and U3Si2 fuels, as well as Cr-coated Zircaloy and FeCrAl claddings. Further, reports similar in form to NUREG/CR-7024 [2] that was developed for traditional light water reactor (LWR) materials, UO2 fuel with Zircaloy claddings were created for the priority fuel and cladding concepts. In this paper select details from the reports entitled "ATF material model development and validation for priority fuel concepts" [3] and "ATF material model development and validation for priority cladding concepts" [4] are presented. First, a brief overview of the available models and their associated uncertainty are provided for the priority fuel and cladding concepts. Then, for the concepts with experimental data, comparisons between simulation and experiment are shown taking into account forward uncertainty quantification (UQ) techniques. For the concepts without publicly available experimental data, parametric studies incorporating forward UQ are completed to verify claims made about the materials’ behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1994

Comparison of Coupled Radiative Navier-Stokes Flow Solutions with the Project Fire II Flight Data

A nonequilibrium, axisymmetric, Navier-Stokes flow solver with coupled radiation has been developed to use in the design of thermal protection systems for vehicles where radiation effects are important. The present method has been compared with an existing flow and radiation solver and with the Project Fire II experimental data. Very good agreement has been obtained over the entire Fire II trajectory with the experimentally determined values of the stagnation radiation intensity in the .2 to 6.2 eV range and with the total stagnation heating. The agreement was significantly better than previous numerical predictions. The effects of a number of flow models are examined to determine which combination of physical models produces the best agreement with the experimental data. These models include radiation coupling, multi-temperature thermal models, finite-rate chemistry, and a quasi-steady-state or Boltzmann assumption for the calculation of the excited electronic states. Finally, the computational efficiency of the present model is evaluated. The radiation properties model developed for this study is shown to offer significant computational savings compared to existing codes.

Olynick, David R.↗

DOE OSTI2024

Privacy Preserving Federated Learning for Advanced Scientific Ecosystems

We present a framework to provide privacy preserving (PP) federating learning (FL) across multiple computational and experimental facilities. This work joins the compute capabilities of National Energy Research Scientific Computing Center (NERSC) and Oak Ridge National Laboratory Research Cloud (ORC) with simulated experimental data, such as those produced at the SLAC National Accelerator Laboratory and Spallation Neutron Source (SNS). We describe the software infrastructure developed to provide privacy for computational and experimental networks. We developed algorithmic privacy across the federated system by embedding database security, computation, and communication into the federation architecture, utilizing scientific tools developed by the experimental community.

Archibald, Rick [ORNL] (ORCID:0000000245389780)↗

DOE OSTI2024

Quantum and classical spin dynamics across temperature scales in the S = 1 / 2 Heisenberg antiferromagnet

Using the framework of semiclassical Landau-Lifshitz dynamics (LLD), we conduct a systematic investigation of the temperature-dependent spin dynamics in the S = 1 / 2 Heisenberg square-lattice antiferromagnet (SAFM). By performing inelastic neutron scattering measurements on Zn 2 VO ( PO 4 ) 2 (ZVPO) and corresponding finite-temperature spin dynamics simulations based on LLD, we present a comprehensive analysis that bridges quantum and classical spin dynamics over a broad temperature range. First, remarkable agreement between experimental data and LLD simulations is found in the paramagnetic phase of ZVPO, demonstrating the capability of LLD in accurately determining the spin Hamiltonian of S = 1 / 2 systems and capturing the quantum-to-classical crossover of their spin dynamics. Second, by analyzing the discrepancies between the experimental data and the LLD simulations at lower temperatures, we determine the experimental temperature dependence of the quantum effects in the excitation spectrum of the S = 1 / 2 SAFM: the quantum renormalization factor for the magnon energies and the quantum continuum above the one-magnon bands. Notably, the emergence of each quantum effect is found to correlate with the formation of three-dimensional long-range order. This work demonstrates the utility of LLD in gaining experimental insights into the temperature-induced modifications of quantum spin dynamics and their convergence towards classical expectations at higher temperatures. This motivates further applications to more challenging quantum antiferromagnets dominated by stronger quantum fluctuations. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

NASA NTRS1973

Comparison of predicted and measured low-speed performance of two 51 centimeter-diameter inlets at incidence angle

Theoretical and experimental internal flow characteristics of two 51-cm-diameter inlets are compared. Theoretical flow characteristics along the inlet surface were obtained from an axisymmetric potential flow and boundary layer analysis. The experimental data were obtained from low-speed tests of a high-bypass-ratio turbofan engine simulator. Comparisons between calculated internal surface pressure distributions and experimental data are presented for a free-system velocity of 45 m/sec and for incidence angles from 0 deg to 50 deg. Analysis of boundary layer separation on the inlet lip at incidence angle is the major emphasis of this report. Theoretical boundary layer shape factors, skin friction coefficients, and velocity profiles in the boundary layer are presented, along with the location of the transition region. Theoretical and experimental separation locations are also discussed.

Albers, J. A.↗

NASA NTRS1993

Effect of wind tunnel acoustic modes on linear oscillating cascade aerodynamics

The aerodynamics of a biconvex airfoil cascade oscillating in torsion is investigated using the unsteady aerodynamic influence coefficient technique. For subsonic flow and reduced frequencies as large as 0.9, airfoil surface unsteady pressures resulting from oscillation of one of the airfoils are measured using flush-mounted high-frequency-response pressure transducers. The influence coefficient data are examined in detail and then used to predict the unsteady aerodynamics of a cascade oscillating at various interblade phase angles. These results are correlated with experimental data obtained in the traveling-wave mode of oscillation and linearized analysis predictions. It is found that the unsteady pressure disturbances created by an oscillating airfoil excite wind tunnel acoustic modes which have detrimental effects on the experimental data. Acoustic treatment is proposed to rectify this problem.

Buffum, Daniel H.↗