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DOE OSTI2025

Actinide 5f Occupations: The Case of PuO 2

In actinide chemistry, the formal number of open-shell 5f electrons, n open , is a well-defined quantity with an integer value. The effective 5f occupation, n f , additionally takes donation and back-donation into account, generally has a non-integer value, and has varying numerical definitions. The present study explores the important distinction between n f and n open in actinide chemistry with the example of PuO2, by using electronic structure methods with a relativistic Hamiltonian in combination with experimental Pu M 5 -edge high-energy-resolution X-ray absorption and emission spectroscopic data. The total donation to the metal in PuO 2 is between 3.1 and 2.4 electrons, depending on the type of calculation, most of which is to the Pu 6d and 5f shells. The donation into 5f is sensitive to the approximations in the electronic structure model but likely amounts to 1.6/0.8 electrons when the diffuse regions of the 5f shell are included/excluded. Valence band resonant inelastic X-ray scattering experiments demonstrate that Pu 5f electron density is present in the valence band; thus, there is a clear experimental signature of covalent bonding in PuO 2 . Pu M 5 -edge and M 3 -edge high-energy-resolution X-ray absorption near-edge structures for Pu 3+ and Pu 4+ in an aqueous solution are compared to PuO 2 , showing that Pu in PuO 2 has an nf closer to Pu 4+ (aq).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2018

An Engergetic Electron Flux Dropout Due to Magnetopause Shadowing on 1 June 2013

We examine the mechanisms responsible for the dropout of energetic electron flux during 31 May to 1 June 2013 using Van Allen Probe (Radiation Belt Storm Probes (RBSP)) electron flux data and simulations with the Comprehensive Inner Magnetosphere-Ionosphere (CIMI) model. During the storm main phase, L-shells at RBSP locations are greater than ~8, which are connected to open drift shells. Consequently, diminished electron fluxes were observed over a wide range of energies. The combination of drift shell splitting, magnetopause shadowing, and drift loss all results in butterfly electron pitch angle distributions (PADs) at the nightside. During storm sudden commencement, RBSP observations display electron butterfly PADs over a wide range of energies. However, it is difficult to determine whether there are butterfly PADs during the storm main phase since the maximum observable equatorial pitch angle from RBSP is not larger than ~40° during this period. To investigate the causes of the dropout, the CIMI model is used as a global 4-D kinetic inner magnetosphere model. The CIMI model reproduces the dropout with very similar timing and flux levels and PADs along the RBSP trajectory for 593 keV. Furthermore, the CIMI simulation shows butterfly PADs for 593 keV during the storm main phase. Based on comparison of observations and simulations, we suggest that the dropout during this event mainly results from magnetopause shadowing.

Kang, Suk-Bin↗

NASA NTRS1995

Advances in reduction techniques for tire contact problems

Some recent developments in reduction techniques, as applied to predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities, are reviewed. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of reduction techniques, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface. Also, the research topics which have high potential for enhancing the effectiveness of reduction techniques are outlined.

Noor, Ahmed K.↗

NASA NTRS1995

Reduction technique for tire contact problems

A reduction technique and a computational procedure are presented for predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of the reduction technique, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface.

Noor, Ahmed K.↗

NASA NTRS1988

Stress and vibraton analyses of anisotropic shells of revolution

An efficient computational strategy is presented for reducing the cost of the stress and free vibration analyses of laminated anisotropic shells of revolution. The analytical formulation is based on a form of the Sanders-Budiansky shell theory including the effects of both the transverse shear deformation and the laminated anisotropic material response. The fundamental unknowns consist of the eight strain components, the eight stress resultants and the five generalized displacements of the shell. Each of the shell variables is expressed in terms of trigonometric functions (Fourier series) in the circumferential co-ordinate, and a three-field mixed finite element model is used for the discretization in the meridional direction. The shell response associated with a range of Fourier harmonics is approximated by a linear combination of a few global approximation vectors, which are generated at a particular value of the Fourier harmonic, within that range. The full equations of the finite element model are solved for only a single Fourier harmonic, and the response corresponding to the other Fourier harmonics is generated using a reduced system of equations with considerably fewer degrees of freedom.

Noor, Ahmed K.↗

NASA NTRS1983

Orbital motion and mass flow in the interacting binary Be star HR 2142

The discovery of an unusual, periodic, two-component shell phase of short duration in the 'classical' Be star HR2142 (HD41335, MWC133) offered convincing evidence that this object is a mass-transfer binary system. A model based solely on the phase-dependent behavior of the hydrogen shell lines in this 80(d).860 binary was developed by Peters and Polidan (1973) and by Peters (1976). The present investigation is concerned with a refinement to the earlier model, taking into account the utilization of an orbital solution obtained from measurements of the wings of the broad photospheric features observed in the rapidly rotating primary. Velocities and equivalent widths from the sharp 'shell' lines, presumably formed in or near the gas stream, provide additional information on the mass flow in the Balmer-line-formation region.

Peters, G. J.↗

NASA NTRS1984

Track damage and erosion of insulators by ion-induced electronic processes

Track damage and the associated ejection of atoms and molecules from insulators, which occur as a result of ion-induced electronic excitation, are of interest both in their own right and because of the mechanisms through which the energy in the excited electrons is transformed into atomic motion. In this paper an overview is given of the phenomena that are observed. We show that there is a remarkable similarity between the damage profile along the ion's track in the solid and the yield of ejected atoms at the energy that corresponds to each point on the track. It is also seen that the density of extended defects (or, correspondingly, the ejected particle yield) appears to have a 'universal' form that is weakly dependent on the type of material. In the model presented this is a consequence of the inner-shell ionization of light elements in the solid by the incident ion; the resulting Auger decay produces an intense ionization spike that locally triggers the track formation/erosion process. This model allows the estimation of erosion yields/damage profiles for different ions and materials.

Tombrello, T. A.↗

DOE OSTI2025

Implications of a weakening N = 126 shell closure away from stability for r -process astrophysical conditions

The formation of the third r-process abundance peak near A ∼ 195 is highly sensitive to both nuclear structure far from stability and the astrophysical conditions that produce the heaviest elements. In particular, the N = 126 shell closure plays a crucial role in shaping this peak. Experimental data hints that the shell weakens as proton number departs from Z = 82, a trend largely missed by global mass models. To investigate its impact on r-process nucleosynthesis, we employ both standard global models with strong closures and modified Duflo-Zuker (DZ) models that reproduce the weakening, combined with three sets of β − -decay rates. Strong shell closures generate sharply peaked abundances, whereas weakened closures consistent with the experimental trend produce broader, flatter patterns. Accurately reproducing the solar third peak under weakened shell strength requires sufficiently neutron-rich conditions that significant fission occurs, and slower decay rates. These results demonstrate that a weakening N = 126 shell closure away from stability imposes significant constraints on the astrophysical environments of the r-process and underscores the need for precise mass measurements and improved characterization of β − -decay properties in this region.

N = 126 closed shells↗

NASA NTRS2003

Spectroscopic Determination of the Physical Conditions in Hot Optically Thin Sources

The Astrophysics Plasma Emission Code and Database (APEC/APED), developed in part under this grant, have been upgraded to Version 1.3.0 and are now beginning to find widespread applications to X-ray spectral data from Chandra and XMM-Newton. These models represent the best theoretical data currently available and are reasonably complete below about 30 A. We are making significant progress in improving the spectral models between 30 and 90 A, by the addition of HULLAC calculations and NIST wavelengths for L-shell ions of Ne, Mg, Si, S, Ar, and Ca. While the output models are now public, the code itself is not ready for public release. We have made significant progress toward this goal through programming improvements, including optimized error codes, a major (elusive) bug fix, and additions to our testing protocols. Secondarily, we are beginning to investigate limited uses of APEC for X-ray photoionized plasma, as for opacity modeling. Stellar coronae are being used to benchmark the atomic data in APED as part of the Emission Line Project. The models appear to be in good agreement with the observations for most of the strong lines; however, we have identified significant discrepancies in the 3s/3d line ratios not only for Fe XVII, but also for Fe XVIII and XIX. The careful analysis of these high quality X-ray spectra has also shown that there are serious problems with some of the analysis techniques in widespread use. There are several manifestations of the problem, but the main problem is that line-to-continuum ratios may be seriously mismeasured. We continue to collaborate widely with atomic physicists in order to find the best atomic data, and to solicit calculations and measurements that are needed.

Brickhouse, Nancy↗

NASA NTRS2014

High-Fidelity Buckling Analysis of Composite Cylinders Using the STAGS Finite Element Code

Results from previous shell buckling studies are presented that illustrate some of the unique and powerful capabilities in the STAGS finite element analysis code that have made it an indispensable tool in structures research at NASA over the past few decades. In particular, prototypical results from the development and validation of high-fidelity buckling simulations are presented for several unstiffened thin-walled compression-loaded graphite-epoxy cylindrical shells along with a discussion on the specific methods and user-defined subroutines in STAGS that are used to carry out the high-fidelity simulations. These simulations accurately account for the effects of geometric shell-wall imperfections, shell-wall thickness variations, local shell-wall ply-gaps associated with the fabrication process, shell-end geometric imperfections, nonuniform applied end loads, and elastic boundary conditions. The analysis procedure uses a combination of nonlinear quasi-static and transient dynamic solution algorithms to predict the prebuckling and unstable collapse response characteristics of the cylinders. Finally, the use of high-fidelity models in the development of analysis-based shell-buckling knockdown (design) factors is demonstrated.

Hilburger, Mark W.↗

DOE OSTI2025

Observation of kinetic mix enhancement in thin-shell OMEGA implosions

Recent separated reactant experiments for thin-shell (6 µ⁢m) shock-driven implosions on OMEGA have demonstrated significant mix from a buried deuterated layer of the shell into the hot spot. Time resolved D 3 He-p reaction history data demonstrate a (50 ± 20)⁢ ps shift earlier in peak nuclear emission for separated reactant experiments relative to control, in contrast to past experimental data for thicker, 20 µ⁢m shells with no laser burn through that show a 75 ps delay due to the time required for hydrodynamic instabilities to develop. This contrast suggests that the mix mechanism was not hydrodynamic. Ion kinetic simulations utilizing fall line analyses show much closer agreement with mix yield and temperature than diffusion models, predicting a D 3 He-p mix yield of 1.7 × 10 9 as compared to the experimental value of 9.3⁢ (±2.1) × 10 8 . This is three orders of magnitude closer than the fall line analysis from a hydrodynamic simulation with an inline diffusive mix model, which suggests minimal mix and D 3 He-p yields of 5×10 5 . This makes kinetic mechanisms the only feasible explanation for the mix seen, demonstrating impact of a non-standard mix mechanism. An analytical model of this kinetic mix mechanism suggests that it can remain significant in situations when the shell expands significantly to low densities, and diffusive models predict negligible mix. Finally, kinetic mix will impact multiple types of high energy density, laser-driven fusion experiments including high-adiabat direct drive cryoexperiments, nuclear cross section experiments, and thin-shell polar direct drive experiments used to tune heat conduction models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Kaon mixing beyond the standard model with physical masses

We present nonperturbative results for beyond the standard model kaon mixing matrix elements in the isospin symmetric limit ( m u = m d ) of QCD, including a complete estimate of all dominant sources of systematic error. Our results are obtained from numerical simulations of lattice QCD with N f = 2 + 1 flavors of dynamical domain wall fermions. For the first time, these quantities are simulated directly at the physical pion mass m π ∼ 139 MeV for two different lattice spacings. We include data at three lattice spacings in the range a = 0.11 – 0.07 fm and with pion masses ranging from the physical value up to 450 MeV. Compared to our earlier work, we have added both direct calculations at physical quark masses and a third lattice spacing making the removal of discretization effects significantly more precise and eliminating the need for any significant mass extrapolation beyond the range of simulated data. We renormalize the lattice operators nonperturbatively using RI-SMOM off-shell schemes. These schemes eliminate the need to model and subtract nonperturbative pion poles that arises in the RI-MOM scheme and, since the calculations are performed with domain wall fermions, the unphysical mixing between chirality sectors is suppressed. Our results for the bag parameters in the MS ¯ scheme at 3 GeV are B K ≡ B 1 = 0.5240 ( 17 ) ( 54 ) , B 2 = 0.4794 ( 25 ) ( 35 ) , B 3 = 0.746 ( 13 ) ( 17 ) , B 4 = 0.897 ( 02 ) ( 10 ) and B 5 = 0.6882 ( 78 ) ( 94 ) , where the first error is from lattice uncertainties and the second is the uncertainty due to the perturbative matching to MS ¯ . Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1991

Cosmic-ray transport and gamma-ray emission in supernova shells

The mixing and transport of cosmic rays accelerated by a pulsar inside an expanding supernova remnant are examined, and the resulting high-energy gamma-ray emission from nuclear interactions of these accelerated particles in the shell is investigated. Rayleigh-Taylor instability at the interface between a pulsar wind cavity and the inner supernova envelope is assumed to be the mixing mechanism. The analysis is applied to the model of Gaisser, Harding, and Stanev (1987), where protons are accelerated at the reverse shock in the pulsar wind. The instability time-scale is estimated from the dynamics of the pulsar wind cavity, and model the injection, diffusion, and interaction of protons in the shell. The resulting gamma-ray flux is lower than previous estimates due to proton adiabatic losses in the expanding pulsar wind. The protons mix and diffuse only into the innermost regions of the envelope before interacting. Energy-dependent diffusion causes the higher energy gamma-ray light curves to decay faster than those at lower energy.

Harding, A. K.↗

NASA NTRS1989

Superbubble blowout dynamics

Multiple supernovae and stellar winds from OB associations carve large holes filled with hot gas in the galactic disk. These superbubbles sweep up H I into cold, thin, dense shells and eventually grow large enough to blow completely out of the galactic H I disk. When superbubbles blow out of the disk, they vent hot gas and supernova energy into the galactic corona. In this paper ZEUS, a two-dimensional hydrodynamics code, is used to model the blowout of a superbubble from exponential and Gaussian models for the vertical density stratification. The results are compared to those from the Kompaneets (thin-shell) approximation. It is found that this approximation works very well, and that most of the mass of the shell remains in the plane, with 5 percent of it accelerating upward. The venting of the hot gas and the stability of the shell depends strongly on the model of the density distribution. It is suggested that the low galactic halo actually consists of a froth of merged superbubbles.

Mac Low, Mordecai-Mark↗

NASA NTRSDate not supplied

Nonlinear Buckling Analysis of Tow-Steered Composite Cylinders with Cutouts

The buckling and postbuckling behavior of two composite tow-steered shells with cutouts of different sizes is assessed using nonlinear finite element (FE) analysis and compared to experimental measurements. The cylindrical shells are manufactured using an automated fiber placement system, where the shells’ fiber orientation angles vary continuously around the shell circumference from ±10 degrees on the crown and keel to ±45 degrees on the sides. One shell features thickness variations due to tow overlaps that result from application of all 24 tows during each pass of the fiber placement system. The second shell uses the system’s tow drop/add capability to achieve a more uniform wall thickness without overlaps. Unreinforced cutouts of two different sizes—the first smaller cutout representing a passenger door on a commercial aircraft and the second larger cutout a cargo door—were machined into each of the two cylinders resulting in a total of four test cases. These cylinders were tested in axial compression and buckled elastically in previous work and are now analyzed using nonlinear FE models to compare bifurcation buckling loads as well as the load-displacement response in the prebuckling and postbuckling regimes. For all four shells analyzed, the prebuckling stiffness, buckling load, and deformation mode sequence throughout the loading-unloading cycle is accurately reproduced by the models. In particular, the shells first buckle locally around the cutouts in a stable (super-critical) manner with only a slight decrease in axial stiffness, which occurs due to the favorable load redistribution facilitated by tow steering. The shells then buckle globally in an unstable (sub-critical) manner with diamond-shaped buckles forming to the left and right of the cutouts. The buckling load of all shells with cutouts is at least 82% of the buckling load of the pristine shells without cutouts. Overall, the ability to sustain local buckling phenomena, and the relatively small reductions in global buckling load compared to pristine shells without cutouts, demonstrates the great potential of using tow steering to mitigate the adverse effects of cutouts in axially-compressed shell structures.

composites↗

NASA NTRSDate not supplied

Nonlinear Buckling Analysis of Tow-Steered Composite Cylinders with Cutouts

The buckling and postbuckling behavior of two composite tow-steered shells with cutouts of different sizes is assessed using nonlinear finite element (FE) analysis and compared to experimental measurements. The cylindrical shells are manufactured using an automated fiber placement system, where the shells’ fiber orientation angles vary continuously around the shell circumference from 10 degrees on the crown and keel to 45 degrees on the sides. One shell features thickness variations due to tow overlaps that result from application of all 24 tows during each pass of the fiber placement system. The second shell uses the system’s tow drop/add capability to achieve a more uniform wall thickness without overlaps. Unreinforced cutouts of two different sizes—the first smaller cutout representing a passenger door on a commercial aircraft and the second larger cutout a cargo door—were machined into each of the two cylinders resulting in a total of four test cases. These cylinders were tested in axial compression and buckled elastically in previous work and are now analyzed using nonlinear FE models to compare bifurcation buckling loads as well as the load-displacement response in the prebuckling and postbuckling regimes. For all four shells analyzed, the prebuckling stiffness, buckling load, and deformation mode sequence throughout the loading-unloading cycle is accurately reproduced by the models. In particular, the shells first buckle locally around the cutouts in a stable (super-critical) manner with only a slight decrease in axial stiffness, which occurs due to the favorable load redistribution facilitated by tow steering. The shells then buckle globally in an unstable (sub-critical) manner with diamond-shaped buckles forming to the left and right of the cutouts. The buckling load of all shells with cutouts is at least 82% of the buckling load of the pristine shells without cutouts. Overall, the ability to sustain local buckling phenomena, and the relatively small reductions in global buckling load compared to pristine shells without cutouts, demonstrates the great potential of using tow steering to mitigate the adverse effects of cutouts in axially-compressed shell structures.

Buckling↗

DOE OSTI2025

Measurement of the Higgs boson width using the ZZ final state

A measurement of the Higgs boson width via its decay to two Z bosons is presented using data from the CMS experiment. A combination of the on- and off-shell Higgs boson production decaying to four leptons is used to determine the Higgs boson width. An assumption that no new virtual particles affect the production is tested by adding new heavy particles in the gluon fusion loop model. This result is combined with a previous CMS analysis of the off-shell Higgs boson production with decay to two leptons and two neutrinos, giving a measured Higgs boson width of 3.0^{+2.0}_{−1.5} MeV, in agreement with the standard model prediction of 4.1 MeV. The strength of the off-shell Higgs boson production is also tested. The scenario of no off-shell Higgs boson production is excluded at a confidence level corresponding to 3.8 standard deviations.

Srivastav, Mohit [Johns Hopkins U.]↗

NASA NTRS1993

Low Reynolds number kappa-epsilon and empirical transition models for oscillatory pipe flow and heat transfer

Stirling engine heat exchangers are shell-and-tube type with oscillatory flow (zero-mean velocity) for the inner fluid. This heat transfer process involves laminar-transition turbulent flow motions under oscillatory flow conditions. A low Reynolds number kappa-epsilon model, (Lam-Bremhorst form), was utilized in the present study to simulate fluid flow and heat transfer in a circular tube. An empirical transition model was used to activate the low Reynolds number k-e model at the appropriate time within the cycle for a given axial location within the tube. The computational results were compared with experimental flow and heat transfer data for: (1) velocity profiles, (2) kinetic energy of turbulence, (3) skin friction factor, (4) temperature profiles, and (5) wall heat flux. The experimental data were obtained for flow in a tube (38 mm diameter and 60 diameter long), with the maximum Reynolds number based on velocity being Re(sub max) = 11840, a dimensionless frequency (Valensi number) of Va = 80.2, at three axial locations X/D = 16, 30 and 44. The agreement between the computations and the experiment is excellent in the laminar portion of the cycle and good in the turbulent portion. Moreover, the location of transition was predicted accurately. The Low Reynolds Number kappa-epsilon model, together with an empirical transition model, is proposed herein to generate the wall heat flux values at different operating parameters than the experimental conditions. Those computational data can be used for testing the much simpler and less accurate one dimensional models utilized in 1-D Stirling Engine design codes.

Bauer, Christopher↗