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DOE OSTI2018

Computational Design of an Iron Catalyst for Olefin Metathesis

Olefin metathesis is a versatile reaction in synthetic chemistry. The use of iron compounds as olefin metathesis catalysts has attracted interest but has not succeeded because most Fe complexes catalyze cyclopropanation reactions preferentially to cycloreversion, which is a key step in the metathesis reaction cycle. In the present study, we performed density functional theory calculations to study the catalytic effect of ancillary pincer ligands in an Fe organometallic catalyst for olefin metathesis. We show here that the partial atomic charge on Fe in the metallocyclobutane intermediate is a descriptor for the tendency of the Fe complex to favor olefin metathesis over cyclopropanation. The results suggest that the pincer ligands can decrease the partial atomic charge on the Fe ion and that decreasing this charge can make the desired cycloreversion reaction more energetically favorable than the cyclopropanation side reaction. In this way, we found that the Fe carbene stabilized by N-heterocyclic dicarbene ligands (Fe(C–N–C)(=CHCH3), where C–N–C denotes 2,6-bis(methylimidazol-2-ylidene)pyridine), is a potential candidate for catalyzing the olefin metathesis reaction. We then calculated the whole catalytic cycle for the propylene metathesis reaction catalyzed by the Fe(C–N–C) carbene, and the results indicate that the cyclopropanation reaction is disfavored by ~4 kcal/mol. We verified the stability of the proposed Fe(C–N–C) catalyst by considering two possible deformation pathways: the transformation of the carbene ligand to a coordinated alkene molecule and the formation of a hydride carbyne intermediate followed by the insertion of a propylene molecule. We found that neither deformation pathway is energetically favorable. Finally we propose a viable route to synthesize the Fe(C–N–C) carbene complex by utilizing the already available Fe(N 2 ) 2 complex stabilized by an N-heterocyclic dicarbene ligand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Observations on the long-period variability of the Gulf Stream downstream of Cape Hatteras

To examine the long-period variability of the Gulf Stream, sea level residuals relative to a 2-year mean sea level in the Gulf Stream downstream of Cape Hatteras (between 75 deg W and 60 deg W longitude) are used. Residuals, as derived from Geosat altimetry between November 1986 and December 1988, were gridded in space and time at a temporal resolution of 10 days and spatial resolution of 1/4 deg. Complex empirical orthogonal function (CEOF) analysis was applied to the data set to extract the spatially correlated signal with the original data subsampled to 1/2 deg. In addition to determining the space-time scales and propagation characterisitics of the different modes, wavenumber-frequency spectral techniques were used to separate the variability into propagating and stationary components. The CEOF technique applied to the data set indicated that the first four CEOF modes accounted for 60% of the variability and were found to be above the noise leve 99% of the time. CEOF 1 was associated with westward propagation at 5 km/d at a wavelength of 2000 km and eastward propagation at 1-2 km/d centered at a 500-km wavelength. This first CEOF is in good agreement with thin-jet equivalent barotropic models which predict westward propagation for wavelengths greater than 1130 km. A deflection of the wavelike pattern at 65 deg W also indicates a possible topographic effect. A simple scaling of the effect of topography indicates that for length scales longer than the internal Rossby radius of deformation, the topographic term is at least of the same order of magnitude as the beta effect. The second CEOF was more broadbanded in wavenumber space, with eastward propagation occurring in a wavenumber-frequency band between 300 and 1400 km and 0.5 and 2.0 cycles/yr. The third CEOF is similar in structure to the first, but with less energy. CEOF 4 was clearly identifiable with higher frequencies than the first three with westward propagation at 4 km/d. The spatial location of this mode along with the westward propagation indicates possible influences from eddy-stream interactions. Thus topography, Rossby wave dynamics and eddy-stream interactions all appear to have a significant role in determining the space-time scales and propagation properties of the long-period response of sea level in the Gulf Stream.

Vazquez, Jorge↗

DOE OSTI2019

Squeezed Nanocrystals: Equilibrium Configuration of Metal Clusters Embedded Beneath the Surface of a Layered Material

Shapes of functional metallic nanocrystals, typically synthesized either free in solution or supported on surfaces, are key for controlling properties. Here, we consider a novel new class of metallic nanocrystals, copper clusters embedded near the surface of graphite, which can be considered a model system for metals embedded beneath surfaces of layered materials, or beneath supported membranes. We develop a continuum elasticity (CE) model for the equilibrium shape of these islands, and compare its predictions with experimental data. The CE model incorporates appropriate surface energy, adhesion energies, and strain energy. The agreement between the CE model and the data is—with one exception—excellent, both qualitatively and quantitatively, and is achieved with a single adjustable parameter. The model predicts that the embedded island shape is invariant with size, manifest both by constant side slope and by constant aspect ratio. This prediction is rationalized by dimensional analysis of the relevant energetic contributions. The aspect ratio of an embedded Cu cluster is much larger than that of a supported but non-embedded Cu cluster, due to resistance of the graphene membrane to deformation. Experimental data diverge from the model predictions only in the case of the aspect ratio of small islands, below a critical height of ~10 nm. The divergence may be due to bending strain, which is treated only approximately in the model. Strong support for the CE model and its interpretation is provided by additional data for embedded Fe clusters. Most of these observations and insights should be generally applicable to systems where a metal cluster is embedded beneath a layered material or supported membrane, provided that shape equilibration is possible.

Julien, Scott↗

NASA NTRS1999

MOD Tool (Microwave Optics Design Tool)

The Jet Propulsion Laboratory (JPL) is currently designing and building a number of instruments that operate in the microwave and millimeter-wave bands. These include MIRO (Microwave Instrument for the Rosetta Orbiter), MLS (Microwave Limb Sounder), and IMAS (Integrated Multispectral Atmospheric Sounder). These instruments must be designed and built to meet key design criteria (e.g., beamwidth, gain, pointing) obtained from the scientific goals for the instrument. These criteria are frequently functions of the operating environment (both thermal and mechanical). To design and build instruments which meet these criteria, it is essential to be able to model the instrument in its environments. Currently, a number of modeling tools exist. Commonly used tools at JPL include: FEMAP (meshing), NASTRAN (structural modeling), TRASYS and SINDA (thermal modeling), MACOS/IMOS (optical modeling), and POPO (physical optics modeling). Each of these tools is used by an analyst, who models the instrument in one discipline. The analyst then provides the results of this modeling to another analyst, who continues the overall modeling in another discipline. There is a large reengineering task in place at JPL to automate and speed-up the structural and thermal modeling disciplines, which does not include MOD Tool. The focus of MOD Tool (and of this paper) is in the fields unique to microwave and millimeter-wave instrument design. These include initial design and analysis of the instrument without thermal or structural loads, the automation of the transfer of this design to a high-end CAD tool, and the analysis of the structurally deformed instrument (due to structural and/or thermal loads). MOD Tool is a distributed tool, with a database of design information residing on a server, physical optics analysis being performed on a variety of supercomputer platforms, and a graphical user interface (GUI) residing on the user's desktop computer. The MOD Tool client is being developed using Tcl/Tk, which allows the user to work on a choice of platforms (PC, Mac, or Unix) after downloading the Tcl/Tk binary, which is readily available on the web. The MOD Tool server is written using Expect, and it resides on a Sun workstation. Client/server communications are performed over a socket, where upon a connection from a client to the server, the server spawns a child which is be dedicated to communicating with that client. The server communicates with other machines, such as supercomputers using Expect with the username and password being provided by the user on the client.

Katz, Daniel S.↗

DOE OSTI2024

Data-Driven Surrogate Modeling with Microstructure-Sensitivity of Viscoplastic Creep in Grade 91 Steel

Abstract To support the development of advanced steel alloys tailored to withstand extreme conditions, it is imperative to account for the mechanical performance of components, while considering the influence of local microstructure on the macroscopic response. To this end, this study focuses on the development of microstructure-sensitive constitutive models for the mechanical response of Grade 91 steel exposed to extreme thermo-mechanical environments. Polynomial chaos expansion (PCE) surrogates are used to emulate high-fidelity polycrystal simulations of the viscoplastic response of Grade 91 steel as a function of the microstructure fingerprint (e.g., dislocations and precipitates). To cover a wide temperature–stress domain, two separate PCE surrogates—one that captures softening and the other that captures hardening behavior—are combined using another (sparse) Gaussian process regression model. The resulting constitutive creep surrogate model is integrated within the MOOSE finite element framework to simulate the intricate effects of microstructure, in particular MX-phase precipitates, on a component with a graded microstructure. Surrogate sensitivity analysis is applied to quantify the relevant impact of spatially varying microstructure on the creep response in a test-case involving a Grade 91 alloy with a prototypical weld.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases

The crystal structure used as input to electronic structure calculation of conventionally bonded solids consists primarily of the standard crystallographic degrees of freedom. Quantum solids sometimes have additional microscopic degrees of freedom (m-DOF) nested within the crystallographic structure. These might include local motifs including positional (Peierls dimers, deformed octahedra, Jahn-Teller distortions), magnetic (local moment configurations) and dipolar (local ferroelectric configurations). Such motifs can be observed experimentally via local probes that avoid averaging, and theoretically as distinct total energy lowering features relative to more simplified “average crystallographic structures”. Here we examine the ability of electronic structure methods independent of strong correlation physics to explain the broad phenomenology of metal-insulator selectivity in quantum oxides by energy-lowering symmetry breaking. We do this by avoiding the restriction of considering only (i) electron-electron interactions in a fixed unresponsive lattice—as done in Mott strong correlation explanations—allowing, however, (ii) local positional and magnetic motifs that coexist within a crystallographic landscape. We find in a broad range of quantum oxides with different symmetry breaking modes the formation of split-off flat bands that can also control metallic versus insulating characteristics. The split-off band effect is common to magnetic and non-magnetic materials, including both binary and ternary oxides. One finds that when such local symmetry breaking motifs are considered in mean-field-like (e.g. density functional theory) electronic structure calculations of quantum oxides, they explain many of the observed trends in metal vs insulator phases discussed otherwise in prior literature via strong correlation in symmetry unbroken view.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Magnetic fields in the formation of the first stars – II. Results

ABSTRACT Beginning with cosmological initial conditions at z = 100, we simulate the effects of magnetic fields on the formation of Population III stars and compare our results with the predictions of Paper I. We use gadget-2 to follow the evolution of the system while the field is weak. We introduce a new method for treating kinematic fields by tracking the evolution of the deformation tensor. The growth rate in this stage of the simulation is lower than expected for diffuse astrophysical plasmas, which have a very low resistivity (high magnetic Prandtl number); we attribute this to the large numerical resistivity in simulations, corresponding to a magnetic Prandtl number of order unity. When the magnetic field begins to be dynamically significant in the core of the minihalo at z = 27, we map it on to a uniform grid and follow the evolution in an adaptive mesh refinement, MHD simulation in orion2. The non-linear evolution of the field in the orion2 simulation violates flux-freezing and is consistent with the theory proposed by Xu & Lazarian. The fields approach equipartition with kinetic energy at densities ∼1010–1012 cm−3. When the same calculation is carried out in orion2 with no magnetic fields, several protostars form, ranging in mass from ∼1 to 30 M⊙; with magnetic fields, only a single ∼30 M⊙ protostar forms by the end of the simulation. Magnetic fields thus suppress the formation of low-mass Pop III stars, yielding a top-heavy Pop III initial mass function and contributing to the absence of observed Pop III stars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Bayesian analysis for estimating statistical parameter distributions of elasto-viscoplastic material models

High temperature design methods rely on constitutive models for inelastic deformation and failure typically calibrated against the mean of experimental data without considering the associated scatter. Variability may arise from the experimental data acquisition process, from heat-to-heat material property variations, or both and need to be accurately captured to predict parameter bounds leading to efficient component design. Applying the Bayesian Markov Chain Monte Carlo (MCMC) method to produce statistical models capturing the underlying uncertainty in the experimental data is an area of ongoing research interest. This work varies aspects of the Bayesian MCMC method and explores their effect on the posterior parameter distributions for a uniaxial elasto-viscoplastic damage model using synthetically generated reference data. From our analysis with the uniaxial inelastic model we determine that an informed prior distribution including different types of test conditions results in more accurate posterior parameter distributions. The parameter posterior distributions, however, do not improve when increasing the number of similar experimental data. Additionally, changing the amount of scatter in the data affects the quality of the posterior distributions, especially for the less sensitive model parameters. Moreover, we perform a sensitivity study of the model parameters against the likelihood function prior to the Bayesian analysis. The results of the sensitivity analysis help to determine the reliability of the posterior distributions and reduce the dimensionality of the problem by fixing the insensitive parameters. The comprehensive study described in this work demonstrates how to efficiently apply the Bayesian MCMC methodology to capture parameter uncertainties in high temperature inelastic material models. Quantifying these uncertainties in inelastic models will improve high temperature engineering design practices and lead to safer, more effective component designs.

42 ENGINEERING↗

NASA NTRS1995

Global Dynamic Modeling of Space-Geodetic Data

The proposal had outlined a year for program conversion, a year for testing and debugging, and two years for numerical experiments. We kept to that schedule. In first (partial) year, author designed a finite element for isostatic thin-shell deformation on a sphere, derived all of its algebraic and stiffness properties, and embedded it in a new finite element code which derives its basic solution strategy (and some critical subroutines) from earlier flat-Earth codes. Also designed and programmed a new fault element to represent faults along plate boundaries. Wrote a preliminary version of a spherical graphics program for the display of output. Tested this new code for accuracy on individual model plates. Made estimates of the computer-time/cost efficiency of the code for whole-earth grids, which were reasonable. Finally, converted an interactive graphical grid-designer program from Cartesian to spherical geometry to permit the beginning of serious modeling. For reasons of cost efficiency, models are isostatic, and do not consider the local effects of unsupported loads or bending stresses. The requirements are: (1) ability to represent rigid rotation on a sphere; (2) ability to represent a spatially uniform strain-rate tensor in the limit of small elements; and (3) continuity of velocity across all element boundaries. Author designed a 3-node triangle shell element which has two different sets of basis functions to represent (vector) velocity and all other (scalar) variables. Such elements can be shown to converge to the formulas for plane triangles in the limit of small size, but can also applied to cover any area smaller than a hemisphere. The difficult volume integrals involved in computing the stiffness of such elements are performed numerically using 7 Gauss integration points on the surface of the sphere, beneath each of which a vertical integral is performed using about 100 points.

Bird, Peter↗

DOE OSTI2024

Gravitational waves from binary neutron star mergers with a spectral equation of state

In numerical simulations of binary neutron star systems, the equation of state of the dense neutron star matter is an important factor in determining both the physical realism and the numerical accuracy of the simulations. Some equations of state used in simulations are C 2 or smoother in the pressure/density relationship function, such as a polytropic equation of state, but may not have the flexibility to model stars or remnants of different masses while keeping their radii within known astrophysical constraints. Other equations of state, such as tabular or piece-wise polytropic, may be flexible enough to model additional physics and multiple stars' masses and radii within known constraints, but are not as smooth, resulting in additional numerical error. We will study in this paper a recently developed family of equation of state, using a spectral expansion with sufficient free parameters to allow for a larger flexibility than current polytropic equations of state, and with sufficient smoothness to reduce numerical errors compared to tabulated or piece-wise polytropic equations of state. We perform simulations at three mass ratios with a common chirp mass, using two distinct spectral equations of state, and at multiple numerical resolutions. We evaluate the gravitational waves produced from these simulations, comparing the phase error between resolutions and equations of state, as well as with respect to analytical models. From our simulations we estimate that the phase difference at merger for binaries with a dimensionless weighted tidal deformability difference greater than Δ$\tilde{Λ}$=55 can be captured by the SpEC code for these equations of state.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

C‐Cracking of Brittle‐Material Spheres From Eccentric Hertzian Contact

Contact of brittle-material spheres can occur while they are manufactured, handled, or used in operation as roller elements or in deformably processed composite material. Statistically, the directional contact between two spheres will nearly always be oblique or eccentric in an unconfined and mobile sphere population. Although analyses of oblique contact exist, the portrayal of its maximum (tensile) first principal stress ( S 1 ) field is lacking. This information is needed for improved judgment of the prospect of crack initiation. Given these, the S 1 due to eccentric contact and subsequent crack initiation was analyzed using finite element analysis (FEA) and corroborative demonstration of c-crack creation. The FEA shows that an asymmetric S 1 field is created about the contact patch and is caused by superimposed shear intrinsic to eccentric contact. A crack will initiate if the maximum S 1 exceeds the material's tensile strength, and its field will cause the crack to propagate and arrest to form a C-shaped crack, or c-crack. C-crack initiation trends with lower applied forces, with greater amount of contact eccentricity, higher coefficient of friction, and smaller spherical radius. Finally, these metrics deserve recognition, especially when c-cracked brittle-material spheres are used in a system whose functionality or reliability is potentially compromised by the c-cracks.

Hertzian contact↗

DOE OSTI2023

The influence of thermomechanical treatment pathways on texture and mechanical properties in ARB Cu/Nb nanolaminates

Accumulative roll-bonded Cu/Nb nanolaminates (ARB Cu/Nb) possess high strength, thermal stability, and radiation tolerance arising from a high content of heterophase interfaces at fine layer thicknesses. These properties can be tailored by processing parameters used in the ARB Cu/Nb fabrication process, in which layer thickness, thermal history, and strain pathway determine the interface types and resultant properties found in the material. In this work, we subject ARB Cu/Nb to annealing, and then two different rolling pathways – one where rolling direction is held constant (longitudinal rolling, or LR), and one where rolling direction is rotated by 90º and held constant thereafter (cross rolling, or CR). Rolling is performed on ARB Cu/Nb over a targeted range of layer thicknesses from 193 to 25 nm and resultant bulk textures measured by neutron diffraction are correlated with mechanical properties measured by miniaturized tensile tests. The annealing procedure sharpens texture in both phases. We find that Cu mostly develops the same texture in LR and CR. In contrast, Nb develops a distinct texture along the CR pathway that is distinct from the LR texture. The composite texture of Cu/Nb is thus distinct between LR and CR pathways. This difference in texture development between Cu and Nb as a function of strain after change in rolling direction demonstrates the viability for deliberate pairing of Cu LR and Nb CR textures at a desired layer thickness. For mechanical properties, we find that differences in texture do not result in yield or flow stress differences above a layer thickness of 25 nm. Below a layer thickness of 25 nm, despite similar Taylor factors, yield and flow stress and are significantly different. In conclusion, this indicates texture only influences mechanical behavior at low layer thickness, where interface structure dominates mechanical properties.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Reduction of Effective Acceleration to Microgravity Levels

Acceleration due to earth's gravity causes buoyancy driven convection and sedimentation in solutions. In addition. pressure gradients occur as a function of the height within a liquid column. Hence gravity effects both equilbria conditions and phase transitions as a result of hydrostatic pressure gradients. The affect of gravity on the rate of heat and man transfer in solutal processes can be particularly important in polymer processing due to the high sensitivity of polymeric materials to processing conditions. The term microgravity has been coined to describe an environment in which the affects of gravitational acceleration am greatly reduced. It may seem odd to talk in term of reducing the effects of gravitational acceleration since gravitational attraction is a basic property of matter. However, die presence of gravity on in situ processing or measurements can be negated by achieving conditions in which the laboratory, or more specifically the container of the experimental materials, a subjected to the same acceleration as the materials themselves. With regard to the laboratory reference frame, there is virtually no force on the experimental solutions. This is difficult to achieve but can be done. A short review of Newtonian physics provides an explanation on both how processes we affected by gravity and how microgravity conditions are achieved. The fact that fluids deform when subject to a force bid solids do not indicates that solids have a structure able to exert an opposing force that negates an externally applied force. Liquids deform when a force is applied, indicating that a liquid structure cannot completely negate an applied force. Just how easily a liquid resists deformation is related to its viscosity. Spaceflight provides an environment in which the laboratory reference frame i.e. the spacecraft and all the equipment therein an experiencing virtually identical forces. There is no solid foundation underneath such a laboratory, so the laboratory accelerates according to the force of gravity as do the experimental fluids within the lab. Hence, the magnitude of the form excited by the laboratory on the experimental solutions within are greatly reduced. When compared with a laboratory on the ground and averaged over time, the fluids in a spaceflight laboratory experience approximately a 10 (sup -6)decrease in acceleration relative to their laboratory reference frame hence the term microgravity.

Downey, James P.↗

DOE OSTI2024

Oil-Pressure Based Apparatus for In-Situ High-Energy Synchrotron X-Ray Diffraction Studies During Biaxial Deformation

Background: Understanding biaxial loading response at the microstructural level is crucial in helping better design sheet manufacturing processes and calibrate/validate material deformation models. Objective: The objective of this work was to develop a low-cost testing apparatus to probe, with sufficient spatial resolution, the micro-mechanical response of a sheet material in-situ under biaxial loading conditions. Methods: The testing apparatus fabricated as a part of this study operates in a similar fashion to a standard bulge test and uses oil pressure to generate biaxial loading conditions. This biaxial testing apparatus was operated within a synchrotron beamline to characterize the mechanical response of a flash-processed steel sheet using in-situ high-energy X-ray diffraction (XRD) measurements. Further, the GSAS-II package was utilized to develop a workflow for the analysis of the large volume of diffraction data acquired. The workflow was then used to extract the peak position, width, and integrated intensity of the XRD peaks corresponding to the major body-centered cubic phase. Results: The equi-biaxial nature of the loading in the measured area was independently corroborated using experimental (XRD) and simulation (finite element analysis) methods. Furthermore, we discuss the evolution of elastic strain in the major body-centered cubic phase as a function of applied oil pressure and location on the steel sheet. Conclusions: A key advantage of the biaxial apparatus fabricated in this synchrotron study is demonstrated using the results obtained for the flash-processed steel sheet – i.e., mapping the lattice plane-dependent response to biaxial loading for a relatively large sample area in a spatially resolved manner.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Observation of nanoparticle coalescence during core-shell metallic nanowire growth in colloids via nanoscale imaging

The surface morphology and shape of crystalline nanowires significantly influence their functional properties, including phonon transport, electrocatalytic performance, to name but a few. However, the kinetic pathways driving these morphological changes remain underexplored due to challenges in real-space and real-time imaging at single-particle and atomic resolutions. This study investigates the dynamics of shell (Au, Pd, Pt, Fe, Cu, Ni) deposition on AuAg alloy seed nanowires during core-shell formation. By using chiral/non-chiral seed nanowires, advanced imaging techniques, including liquid-phase transmission electron microscopy (LPTEM), cryogenic TEM, and three-dimensional electron tomography, a three-step deposition process is revealed: heterogeneous nucleation, nanoparticle attachment, and coalescence. It is found that colloidal Ostwald ripening, metal reactivity, and deposition amount modulate nanoparticle size and surface roughness, shaping final morphologies. Noble metal nanoparticles (Au, Ag, Pd, Pt) coalesce with seed nanowire along the 〈111〉 direction, distinct from that of other metals. These findings are consistent across different metals, including Ru, Cu, Fe, and Ni, highlighting the hypothesis of these processes in nanowire formation. These findings enhance traditional crystallographic theories and provide a framework for designing nanowire morphology. Additionally, our imaging techniques may be applied to investigate phenomena like electrodeposition, dendrite growth in batteries, and membrane deformation.

Yang, Dahai↗

DOE OSTI2024

Methodological guidelines on concrete degradation based on predictive models and the release of MOSAIC for industry use

In light-water reactors (LWRs), the concrete biological shield (CBS) designates the concrete structure directly facing the reactor pressure vessel (RPV). The primary function of the CBS is to protect equipment and personnel from the neutron and gamma radiation exiting the RPV. Most CBSs in operation in the United States also provide structural support to the RPV. Based on a long-term structural analysis, the structural integrity of the CBS to transfer the in-service passive load to the foundation, dynamic loading during an earthquake, and thermal loading during a loss-of-coolant accident (LOCA) must be maintained. Based on test reactor data for accelerated conditions, the mechanical properties of irradiated concrete are affected when exposed to neutron fluence higher than ≈ 10 19 n.cm -2 (E > 0.1 MeV). At 80 years of operation, the fluence estimates at the surface of the CBS range between 1×10 19 and 7×10 19 n.cm -2 (E > 0.1 MeV): the fluence value depends mostly on the design. Although fluence attenuates through the CBS by virtue of the shielding properties of concrete, about 5% to 10% of the CBS wall depth is affected by high fluence. The main degradation mechanism is the so-called radiation-induced volumetric expansion (RIVE) caused by the amorphization of aggregate-forming minerals. RIVE causes large deformation of up to 18% in pure quartz, and it also reduces the structural properties of concrete. The structural effects of long-term exposure to fast neutron irradiation in LWRs was studied in the report entitled “Assessment of the Effect of the Irradiation-Induced Degradation on the In-Service Structural Performance of the Concrete Biological Shields” (M3LW-23OR0403013). This report illustrates that (1) irradiation-induced damage expands further than the region subject to a cumulative fluence of 10 19 n.cm -2 (E > 0.1 MeV) to reach the steel reinforcement location, and (2) the irradiation-induced damage region shows no substantial residual bearing capacity and should not be accounted for in the integrity assessment of the CBS.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1996

Animal models and their importance to human physiological responses in microgravity

Two prominent theories to explain the physiological effects of microgravity relate to the cascade of changes associated with the cephalic shifts of fluids and the absence of tissue deformation forces. One-g experiments for humans used bed rest and the head-down tilt (HDT) method, while animal experiments have been conducted using the tail-suspended, head-down, and hindlimbs non-weightbearing model. Because of the success of the HDT approach with rats to simulate the gravitational effects on the musculoskeletal system exhibited by humans, the same model has been used to study the effects of gravity on the cardiopulmonary systems of humans and other vertebrates. Results to date indicate the model is effective in producing comparable changes associated with blood volume, erythropoiesis, cardiac mass, baroreceptor responsiveness, carbohydrate metabolism, post-flight VO2max, and post-flight cardiac output during exercise. Inherent with these results is the potential of the model to be useful in investigating responsible mechanisms. The suspension model has promise in understanding the capillary blood PO2 changes in space as well as the arterial PO2 changes in subjects participating in a HDT experiment. However, whether the model can provide insights on the up-or-down regulation of adrenoreceptors remains to be determined, and many investigators believe the HDT approach should not be followed to study gravitational influences on pulmonary function in either humans or animals. It was concluded that the tail-suspended animal model had sufficient merit to study in-flight and post-flight human physiological responses and mechanisms.

NASA Discipline Cardiopulmonary↗

NASA NTRSDate not supplied

Inflatable Softgoods Testing Capability Development for Habitation

The Habitation Systems Development Office (HP40) at NASA Marshall Space Flight Center supports systems engineering, integration, and project management for next generation space habitats. The office is responsible for formulation activities for Lunar Surface Habitat and Mars Transit Habitat. HP40 also manages commercial partnerships for exploration habitat development. The Lunar Surface Habitat is intended to initially support a minimum of two crew on the lunar surface for an approximately 30-day mission, with the ability to accommodate four crew for short durations. The Mars Transit Habitat will transport four crew to and from Mars orbit on a potentially 1,200 day mission. Both concepts are envisioned to leverage inflatable softgoods as the primary structural material for the habitation portion of the architecture. Inflatable softgoods are a complex, multi-material system consisting of multiple layers which perform specific functions. A bladder layer (polymer) contains the habitat’s atmosphere. The bladder is indexed to a woven restraint layer, usually Kevlar or Vectran, which serves as the structural layer. The remaining outer layers are for micro-meteoroid orbital debris (MMOD) shielding, protection from atomic Oxygen (if the material system is to be deployed in low earth orbit), and thermal insulation. The primary advantage of inflatable softgoods is that they can offer a larger volume per unit mass relative to a rigid metal structure. Inflatable softgoods have a strong development heritage within NASA, beginning with work in the 1960s in partnership with Goodyear Aerospace and continuing with Johnson Space Center’s TransHab project in the 1990s . Some development efforts subsequently transitioned into the private sector to mature the material technology for flight applications, including human habitation. In August 2022, NASA published its guidelines for certification of crewed inflatable softgoods structures (JSC-67721). This document outlines a series of tests which will be needed to certify inflatable softgoods material systems for use in crewed mission applications. It includes burst testing at the subscale and full-scale to determine the ultimate burst pressure of the softgoods architecture. Creep (long term deformation of the material under stress) is a key failure mode which must be characterized. Creep testing at the component and module levels is also recommended to generate time to failure curves and verify that the inflatable system has a predicted operational life which exceeds mission parameters. ET (Test Engineering) at MSFC and HP40 have worked together to establish softgoods testing capabilities for the center. This includes the ability to conduct module level burst tests and creep tests. The poster will highlight these capabilities and provide examples of testing which has been performed to date by ET. NASA MSFC anticipates that these test capabilities will continue to offer critical support for companies pursuing inflatable softgoods for exploration applications (lunar surface habitation, Mars transit) as well as commercial low earth orbit platforms.

habitation↗