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DOE OSTI2021

Opacity Table Generation

Radiation opacity is a key property of material systems which describes the absorption and scattering of photons. Such processes are an important part of energy transport, diagnostics, and astrophysical phenomena. Recent experiments in iron opacity and continuum lowering have sparked renewed interest in and careful vetting of opacity models. Even within the local thermodynamic equilibrium approximation, opacity varies over a large parameter space: material, temperature, density, and energy. Opacity tables that span wide regimes of this parameter space are of prime importance to radiation-hydrodynamics codes. Accurate opacity calculations cannot be achieved inline during a radiation hydrodynamics simulation since they involve accounting for all possible electron transitions of all important atomic states of a thermal ensemble. Livermore’s current framework utilizes precalculated tables at many densities, temperatures, and energies. Last year, the opacity theory team completed an L2 milestone concerning the development of a new code, Opus, which served the dual purpose of creating a modern code infrastructure and version control as well as the basis for training new members of that team, a critical need as key members near or are passed retirement. For the current L2 milestone, we exercised and validated Opus on three elements: boron, carbon, and nitrogen, which have few enough electrons to allow a careful convergence study over many input parameters. Here, we report on the production of new tables, show their convergence with respect to important parameters, state some of their limitations, and document a mostly automated production process. In this section, we address the milestone completion criteria, found on the title page and the subsection headings. In section 2, we validate Opus against Tycho and compare with TabOp and Atomic. Section 3 details some of the physics implemented in Opus and relevant to this report. We then cover details of the density-temperature grid in section 4 and do a spectral comparison between different parameter settings and different codes in section 5. After summarizing these results in section 6, we give instructions how to run the opacity table scripts in appendix A and document the scripts and input/output files in appendix B.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Magnesium isotopes of the bulk solar wind from Genesis diamond-like carbon films

–NASA’s Genesis Mission returned solar wind (SW) to the Earth for analysis to derive the composition of the solar photosphere from solar material. SW analyses control the precision of the derived solar compositions, but their ultimate accuracy is limited by the theoretical or empirical models of fractionation due to SW formation. Mg isotopes are “ground truth” for these models since, except for CAIs, planetary materials have a uniform Mg isotopic composition (within ≤1&) so any significant isotopic fractionation of SW Mg is primarily that of SW formation and subsequent acceleration through the corona. This study analyzed Mg isotopes in a bulk SW diamond-like carbon (DLC) film on silicon collector returned by the Genesis Mission. A novel data reduction technique was required to account for variable ion yield and instrumental mass fractionation (IMF) in the DLC. The resulting SW Mg fractionation relative to the DSM-3 laboratory standard was ( 14.4&, 30.2&) (4.1&, 5.5&), where the uncertainty is 2σ SE of the data combined with a 2.5& (total) error in the IMF determination. Two of the SW fractionation models considered generally agreed with our data. Their possible ramifications are discussed for O isotopes based on the CAI nebular composition of McKeegan et al. (2011).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1987

A history of the X-15 program

The present historical account of the X-15 hypersonic research aircraft development program, which began in 1952 with the determination by NACA's Committee on Aeronautics to attempt speeds of Mach 10-12 and altitudes of 12-50 miles. While the technical proposal adopted by the program in 1954 reduced speed requirements to Mach 6.6, representing the state-of-the-art capability in high temperature structures, the X-15 would ultimately reach a speed of Mach 6.7. The structural material employed was Inconel X, an Ni-Cr alloy slightly heavier than steel. The X-15 program studied problems in exoatmospheric flight control, structural heating, control in weightlessness, and atmospheric reentry. The last flights were conducted in 1968.

Dana, William H.↗

DOE OSTI2025

Cement and concrete as carbon sinks: Transforming a climate challenge into a carbon storage opportunity

Cement and concrete, while traditionally recognized as the main contributors to anthropogenic CO 2 emissions, also have untapped capacity to serve as substantial and scalable carbon sinks. This perspective examines how engineered mineral carbonation can transform cement-based materials into functional carbon storage systems, generating both environmental and economic value. We review the fundamental mechanisms of CO 2 uptake in cementitious systems, highlighting current limitations in reaction kinetics, phase control, and durability under varying environmental conditions. Emphasis is placed on the utilization of alkaline industrial residues and emerging magnesium-based cements, which offer synergistic pathways for carbon sequestration and circular resource use. We further assess the performance trade-offs associated with CO 2 uptake and the feasibility of deploying these technologies on industrial scales. A strategic roadmap is proposed that integrates scientific innovation, regulatory alignment, and carbon accounting in the life cycle to accelerate the adoption of carbon-storing concrete. This perspective provides a comprehensive framework to advance cement and concrete as engineered carbon sinks and supports the transition to a climate-positive construction industry.

Carbon storage↗

NASA NTRS1989

Application of cyclic damage accumulation life prediction model to high temperature components

A high temperature, low cycle fatigue life prediction method was developed. This method, Cyclic Damage Accumulation (CDA), was developed for use in predicting the crack initiation lifetime of gas turbine engine materials, but it can be applied to other materials as well. The method is designed to account for the effects on creep-fatigue life of complex loading such as thermomechanical fatigue, hold periods, waveshapes, mean stresses, multiaxiality, cumulative damage, coatings, and environmental attack. Several features of this model were developed to make it practical for application to actual component analysis, such as the ability to handle nonisothermal loading (including TMF), arbitrary cycle paths, and multiple damage modes. The CDA life prediction model was derived from extensive specimen tests conducted on cast nickel-base superalloy B1900 + Hf. These included both monotonic tests (tensile and creep) and strain-controlled fatigue experiments (uniaxial, biaxial, TMF, mixed creep-fatigue, and controlled mean stress). Additional specimen tests were conducted on wrought INCO 718 to verify the applicability of the final CDA model to other high-temperature alloys. The model will be available to potential users in the near future in the form of a FORTRAN-77 computer program.

Nelson, Richard S.↗

DOE OSTI2026

Witnessing Spin-Orbital Entanglement Using Resonant Inelastic X-Ray Scattering

Entanglement plays a central role in quantum technologies, yet its characterization and control in materials remain challenging. Recent developments in spectrum-based entanglement witnesses have enabled new strategies for quantifying many-body entanglement in macroscopic materials. Here, in this work, we develop a protocol for detecting spin-orbital entanglement using experiment-accessible resonant inelastic x-ray scattering. Central to our approach is the construction of a Hermitian generator from measurable spectra, which allows us to compute the quantum Fisher information (QFI) available in spin-orbital systems. The resulting QFI provides upper bounds for 𝑘-producible states and thus serves as a robust witness of spin-orbital entanglement. To account for realistic experimental limitations, we further extend our framework to include relaxed QFI bounds applicable to measurements lacking full polarization resolution.

entanglement detection↗

NASA NTRS1991

Probabilistic structural mechanics research for parallel processing computers

Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

Sues, Robert H.↗

NASA NTRS1986

Thermal stability tests of CFRP sandwich panels for far infrared astronomy

An account is given of fabrication methods and low temperature figure tests for CFRP sandwich panels, in order to ascertain their applicability to ultralightweight 3-m aperture primary mirrors for balloon-borne sub-mm and far-IF telescopes that must maintain a 1-2 micron rms surface figure accuracy at -40 to -50 C. Optical figure measurements on the first two of a series of four 0.5-m test panels, replicated to a spherical surface, show a radius-of-curvature change and astigmatism down to -60 C; this approximately follows the composite's theoretical predictions and implies that material and process control is excellent, so that the large scale changes observed can be compensated for.

Hoffmann, W. F.↗

DOE OSTI2023

(U) Correlated Sampling Using Batch Statistics to Reduce the Uncertainty of Combinations of KSEN Outputs with MCNP6

The relative sensitivity of k eff to the densities of nuclides in a material are combined to compute relative sensitivities to other inputs. When computed in a single Monte Carlo run, the nuclide density sensitivities are correlated, and the statistical uncertainties propagated to other inputs will be incorrect unless those correlations are accounted for. Equations are presented to apply correlated sampling using batch statistics for the sum of an arbitrary number of random tallies and the difference of two random tallies when each is multiplied by a different constant. When correlated sampling is used on a recent benchmark evaluation, the correct statistical uncertainties for certain combinations of sensitivities are dramatically smaller than the incorrect uncertainties. A user-controlled, regular output of MCNP6’s KSEN sensitivities that allows batch statistics to be applied to combinations would be extremely valuable.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Robust Heat-Flux Sensors for Coal-Fired Boiler Extreme Environments

In this project, robust heat-flux measurement systems were developed. The heat-flux sensors utilize thermoelectric effects to directly transduce the heat-flux inputs to analog electrical voltage signals. They were constructed from dedicated materials that can withstand temperatures of at least 1000°C and maintain adequate performance at these conditions for prolonged periods of time. The proposed approaches took into account numerous considerations, including system cost, sensor head resilience, sensor footprint, data accuracy, response time, and maintenance requirements. Through modern thermoelectric materials design, methodical materials selection and rigorous testing in materials characterization labs and medium-scale fire research facilities, we have demonstrated functioning laboratory prototypes, upon which one could base industrial heat-flux sensing platforms capable of operating in the challenging high-temperature, corrosive environments of the boilers of coal-fired power plants. A distributed sensor array for heat-flux measurements throughout the furnace water-wall, the superheater area and the economizer coils can provide critical data for the power plant control systems to increase efficiency, improve safety and reduce down times. For example, the combined heat-flux sensor/control systems can contribute to the optimization of burner and boiler operations under flexible loads, the optimization of heat-exchange conditions and overall reduction of heat rate and emissions, the prediction of imminent overheating conditions, and the optimization of the soot-blowing protocols.

20 FOSSIL-FUELED POWER PLANTS↗

NASA NTRS2023

Investigating Abrasion Effects of Lunar Simulant Grain Sizes on Candidate Spacesuit Fabric

Lunar dust is identified as one of the most significant challenges during the Apollo exploration missions due to its extremely abrasive and electrostatic characteristics. As NASA and the space industry prepare for the upcoming Artemis missions, researching and testing with lunar simulant is quintessential to understanding the effects of lunar dust on the systems and equipment that will be deployed on the lunar surface. Testing will also provide paths that lead to developing technologies and cleaning tools that could be used for dust mitigation. Additionally, it is expected that any hardware that will be exposed to the dusty environment should undergo rigorous testing to ensure it will maintain long-term performance and operate on the lunar surface. For this study, exterior spacesuit fabric was observed. Abrasion is one of the main concerns of lunar dust exposure for spacesuit fabric. Three different abrasion methods were chosen: a rotary tumbler, the Martindale method, and Accelerotor. These abrasion methods were tested on coated and uncoated spacesuit material, Orthofabric, to understand the abrasion rates of sieved lunar simulant and investigate if the addition of ceramic coating mitigated dust abrasion. To summarize, the testing results provided that larger grains are more abrasive than smaller grains, and the selected ceramic coatings did not minimize abrasion during the controlled abrasion tests. It is important to note that the selected ceramic coatings were not designed or intended to provide protection from the abrasive lunar environment. It is recommended to select additional ceramic coatings with an elevated TRL of 5 or greater for testing with Orthofabric and lunar simulant. As an additional note, contact angle measurements were not accounted for in coating selection and should be a factor when selecting adhesion resistant coatings for lunar dust.

grain size↗

NASA NTRS1995

Probabilistic simulation of long term behavior in polymer matrix composites

A methodology to compute cumulative probability distribution functions (CDF) of fatigue life for different ratios, r of applied stress to the laminate strength based on first ply failure criteria has been developed and demonstrated. Degradation effects due to long term environmental exposure and mechanical cyclic loads are considered in the simulation process. A unified time-stress dependent multi-factor interaction equation model developed at NASA Lewis Research Center has been used to account for the degradation/aging of material properties due to cyclic loads. Fast probability integration method is used to perform probabilistic simulation of uncertainties. Sensitivity of fatigue life reliability to uncertainties in the primitive random variables are computed and their significance in the reliability based design for maximum life is discussed. The results show that the graphite/epoxy (0/+45/90) deg laminate with ply thickness 0.125 in. has 500,000 cycles life for applied stress to laminate strength ratio of 0.6 and a reliability of 0.999. Also, the fatigue life reliability has been found to be most sensitive to the ply thickness and matrix tensile strength. Tighter quality controls must therefore be enforced on ply thickness and matrix strength in order to achieve high reliability of the structure.

Shah, A. R.↗

NASA NTRS2005

Fatigue Behavior and Deformation Mechanisms in Inconel 718 Superalloy Investigated

The nickel-base superalloy Inconel 718 (IN 718) is used as a structural material for a variety of components in the space shuttle main engine (SSME) and accounts for more than half of the total weight of this engine. IN 718 is the bill-of-material for the pressure vessels of nickel-hydrogen batteries for the space station. In the case of the space shuttle main engine, structural components are typically subjected to startup and shutdown load transients and occasional overloads in addition to high-frequency vibratory loads from routine operation. The nickel-hydrogen battery cells are prooftested before service and are subjected to fluctuating pressure loads during operation. In both of these applications, the structural material is subjected to a monotonic load initially, which is subsequently followed by fatigue. To assess the life of these structural components, it is necessary to determine the influence of a prior monotonic load on the subsequent fatigue life of the superalloy. An insight into the underlying deformation and damage mechanisms is also required to properly account for the interaction between the prior monotonic load and the subsequent fatigue loading. An experimental investigation was conducted to establish the effect of prior monotonic straining on the subsequent fatigue behavior of wrought, double-aged, IN 718 at room temperature. First, monotonic strain tests and fully-reversed, strain-controlled fatigue tests were conducted on uniform-gage-section IN 718 specimens. Next, fully reversed fatigue tests were conducted under strain control on specimens that were monotonically strained in tension. Results from this investigation indicated that prior monotonic straining reduced the fatigue resistance of the superalloy particularly at the lowest strain range. Some of the tested specimens were sectioned and examined by transmission electron microscopy to reveal typical microstructures as well as the active deformation and damage mechanisms under each of the loading conditions. In monotonically strained specimens, deformation during the subsequent fatigue loading was mainly confined to the deformation bands initiated during the prior monotonic straining. This can cause dislocations to move more readily along the previously activated deformation bands and to pile up near grain boundaries, eventually making the grain boundaries susceptible to fatigue crack initiation. The mechanisms inferred from the microstructural investigation were extremely valuable in interpreting the influence of prior monotonic straining on the subsequent fatigue life of Inconel 718 superalloy.

Source record↗

DOE OSTI2022

Controlling melt flow by nanoparticles to eliminate surface wave induced surface fluctuation

The high surface roughness is one of the major challenges encountered in laser metal additive manufacturing (AM) processes, which is closely related to the melt flow behavior. However, how to control the melt flow in laser metal AM processes to improve surface finish is unknown. Here we reveal the effects of nanoparticles on melt flow behavior at every location of melt pool during laser metal AM process for the first time using Al6061 + TiC nanoparticles system and achieve significant improvement of surface finish by using TiC nanoparticles to control the melt flow and damp the surface wave. Based on the in-situ x-ray imaging observation, the surface wave is fully damped after adding TiC nanoparticles, compared with only 56% damping without nanoparticles during LPBF of Al6061. Our in-depth in-situ x-ray imaging analysis and viscosity measurement enable us to identify that nanoparticle-induced increase of viscosity causes the fully damping of the surface wave by (1) increasing the internal fluid friction for more efficient wave amplitude reduction, (2) controlling the melt flow to increase the surface wave number, (3) controlling the melt flow to increase the wave damping time. Furthermore, we also quantified the relative contributions of increasing fluid friction, increasing wave number, and increasing damping time to wave damping, which account for 61%, 25%, and 14%, respectively. Furthermore, our research provides the mechanisms and potential method to address the surface finish challenge in laser metal AM processes.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Electronic Structures of Iron in Oxide Glasses via 1s3p Resonant Inelastic X-ray Scattering

Electronic structures of iron in glasses are essential for unraveling the effect of transition metals on amorphous networks and controlling the electro-optical and transport properties of advanced glasses and amorphous energy-storing materials. The electronic configurations around iron in glasses, however, remain not well understood due to the structural disorders arising from multiple iron species with distinct valence, coordination, and spin states. Here, the first 1s3p resonant inelastic X-ray scattering (RIXS) for oxide glasses identifies hidden electronic configurations for Fe 2+ and Fe 3+ in amorphous networks. The results allow us to quantify the composition-induced evolution of oxygen ligand–field interactions of high-spin Fe 3d states with varying valence and coordination environments in complex glasses. The distinct electronic structures account for the electronic origins of iron-induced changes in the glass properties. The results offer prospects for a simultaneous probing of valence, coordination, and spin states of transition metals in diverse multicomponent oxide glasses and functional amorphous solids via 1s3p RIXS.

Kim, Yong-Hyun [Seoul National Univ. (Korea, Repub↗

NASA NTRS1996

Process Model for Friction Stir Welding

Friction stir welding (FSW) is a relatively new process being applied for joining of metal alloys. The process was initially developed by The Welding Institute (TWI) in Cambridge, UK. The FSW process is being investigated at NASA/MSEC as a repair/initial weld procedure for fabrication of the super-light-weight aluminum-lithium shuttle external tank. The FSW investigations at MSFC were conducted on a horizontal mill to produce butt welds of flat plate material. The weldment plates are butted together and fixed to a backing plate on the mill bed. A pin tool is placed into the tool holder of the mill spindle and rotated at approximately 400 rpm. The pin tool is then plunged into the plates such that the center of the probe lies at, one end of the line of contact, between the plates and the shoulder of the pin tool penetrates the top surface of the weldment. The weld is produced by traversing the tool along the line of contact between the plates. A lead angle allows the leading edge of the shoulder to remain above the top surface of the plate. The work presented here is the first attempt at modeling a complex phenomenon. The mechanical aspects of conducting the weld process are easily defined and the process itself is controlled by relatively few input parameters. However, in the region of the weld, plasticizing and forging of the parent material occurs. These are difficult processes to model. The model presented here addresses only variations in the radial dimension outward from the pin tool axis. Examinations of the grain structure of the weld reveal that a considerable amount of material deformation also occurs in the direction parallel to the pin tool axis of rotation, through the material thickness. In addition, measurements of the axial load on the pin tool demonstrate that the forging affect of the pin tool shoulder is an important process phenomenon. Therefore, the model needs to be expanded to account for the deformations through the material thickness and the forging affect of the shoulder. The energy balance at the boundary of the plastic region with the environment required that energy flow away from the boundary in both radial directions. One resolution to this problem may be to introduce a time dependency into the process model, allowing the energy flow to oscillate across this boundary. Finally, experimental measurements are needed to verify the concepts used here and to aid in improving the model.

Adams, Glynn↗

NASA NTRS1987

A thermodynamic model of the Hg(0.8)Cd(0.2)Te-iodine transport system. I - Te-saturated source material. II - Source material composition within the homogeneity range

A thermochemical analysis of the Hg(0.8)Cd(0.2)Te-iodine vapor transport system is presented, and theoretical calculations of diffusion-controlled mass transport rates are made. The predicted mass fluxes are compared with experimental data obtained from transport experiments under vertical, stabilizing conditions reported earlier and with results of additional transport experiments conducted during the present study. Experimental mass transport rate studies of the transport system for fixed amount of excess Hg as a function of transport agent pressure are presented. The mass fluxes are determined for the vertical, stabilizing orientation of the density gradient relative to the gravitational vector. In order to compare experimental mass transport rates with computed values, the thermochemical analysis is extended to take the formation of Hg vacancies in the above compound into account along with their effect on the partial pressure of the system.

Chandra, D.↗

DOE OSTI2026

Second Harmonic Generation Electric Field Triplet Interferometry for Absolute Phasing

We report second harmonic generation (SHG) electric field triplet interferometry performed using three mutually coherent ultrafast pulses in a common path with controllable relative phases, namely, the light fields of a sample signal (SI), a reference oscillator (RO), and a local oscillator (LO). The ROLO phase determined from the interference of the light fields produced by two quartz wafers is subtracted from the phase determined from the SIROLO interferogram to yield the signal phase, ϕ SI . The new method also calibrates the measured SHG intensity from a given sample internally by sending the fundamental light field reflected from the sample into one of the quartz wafers in the ROLO element. The approach avoids having to exchange the sample against a reference material with a known χ(2) value or known phase and accounts on-the-fly for situations where the reflected fundamental light field intensity changes with experimental conditions. The new method is successfully benchmarked against z-cut α-quartz, fused silica held at its point of zero charge, and hematite nanolayers in air, across three different interferometers. Furthermore, the approach should be applicable for other second-order nonlinear spectroscopies, such as vibrational or electronic sum-frequency generation.

Interfaces↗