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All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

A perspective on computational aerothermodynamics: Current modeling difficulties

Future hypersonic vehicles are going to be designed largely with computational fluid dynamic methods based on appropriate physical models. The question on how much of this design process can be completed with the present state of computational aerothermodynamics is addressed. Some limitations of current models are discussed. It is shown that much more research is required before it will be possible to accurately design a hypersonic vehicle for all of its flight conditions. The quantities that must be computed accurately so that a minimum weight hypersonic vehicle can be designed are discussed. The use of computational fluid dynamics methods coupled with current thermochemical models in order to compute the quantities under specific flow conditions is considered.

Candler, Graham V.↗
NASA NTRS2009

Non-exercise Estimation of V02max Using a Dichotomy of Meeting or Not Meeting DHHS Physical Activity Recommendations

The physical activity guidelines (PAG) established by the US Dept. of Health and Human Services in 2008 is consistent with a rating of >/= 6 on the 11-point NASA Physical Activity Status Scale (PASS). Wier, et. al. developed non-exercise models for estimating VO2(sub max) from a combination of PASS, age, gender and either waist girth (WG) (R = 0.810, SEE= 4.799 ml/kg/min), %Fat (R = 0. 817, SEE = 4.716 ml/kg/min) or BMI (R = 0.802, SEE = 4.900 ml . kg-1. min -1 ). PURPOSE: to develop non-exercise models to estimate VO2max from age, gender, body composition (WG, %Fat, BMI) and PASS dichotomized at meets or does not meet the PAG (PAG-PASS), and to compare the accuracy of the PAG-PASS models with the models using the 11-point PASS. METHODS: 2417 men and 384 women were measured for VO2max by indirect calorimetry (RER >1.1); age (yr), gender by M = 1, W = 0; WG at the umbilicus; %fat by skin-folds, BMI by weight (kg) divided by height squared (m 2 ) , and PAGPASS by PASS < 6 = 0 and =/> 6 = 1. RESULTS: Three models were developed by multiple regression to estimate VO2(sub max) from age, gender, PAG-PASS and either WG (R = 0.790, SEE=5.019 ml/kg/min), %FAT (R= 0.080, SEE = 4.915 ml/kg/min) or BMI (R = 0.777, SEE = 5.162ml/kg/min). Cross-validation by the PRESS technique confirmed these statistics. Simple correlations between measured VO2(sub max) and estimates from the PAG-PASS models with WG, %Fat and BMI were 0.790, 0.800 and 0.777, minimally different from the correlations obtained with the PASS models (0.810, 0.810, and 0.802). PAG-PASS and PASS model constant errors were also similar: < 1 ml/kg/min for subsamples of age, gender, PASS and for VO2(sub max) between 30 and 50 ml/kg/min (70% of the sample) but > 1 ml/kg/min for VO2(sub max) <30 and >50 ml/kg/min. CONCLUSIONS: Non-exercise models using the combined effects of age, gender, body composition and the dichotomized PAG-PASS provide estimates of VO2(sub max) that are accurate for most adults, and the accuracy of these models are similar to previously published models using the 11-point PASS.

Wier, Larry T.↗
DOE OSTI2023

Modeling the Photoelectrochemical Evolution of Lead-Based, Mixed-Halide Perovskites Due to Photosegregation

Lead-based, mixed-halide perovskites such as methylammonium lead iodide-bromide [MAPb(I 1-x Br x ) 3 ] undergo anion photosegregation under illumination. This is observed as low band gap photoluminescence from photogenerated iodine-rich domains due to favorable band offsets that induce carrier funneling into them. Unfortunately, theoretical rationalizations of mixed-halide photosegregation are complicated by biases inherent to photoluminescence-based observations. Recent compositionally-weighted X-ray diffraction (XRD) measurements now reveal broad distributions of photosegregated stoichiometries not captured by existing photosegregation models. To better bridge experiment and theory, we perform kinetic Monte Carlo (KMC) simulations of photosegregation within the context of a band gap-based thermodynamic model, which has previously accounted for numerous experimental observations. Our KMC simulations are modified to consider high carrier density Fermi-Dirac statistics that result from carrier funneling and accumulation within photosegregated I-rich domains. Obtained KMC results reproduce broad x terminal distributions seen experimentally and illustrate how they are characterized by a central, heavily I-enriched stoichiometry. I-rich domain “drifting” during photosegregation rationalizes the long photosegregation timescales seen experimentally with drifting simultaneously producing a wake of variable stoichiometry I-rich inclusions that form the lion’s share of stoichiometric heterogeneities seen in compositionally-weighted XRD measurements. These simulations and accompanying rationalizations further reveal a general criterion for realizing favorable free energies to induce demixing. Central to the criterion is the statistical occupation of low gap inclusions in the parent alloy by excitations. Furthermore, the resulting model thus provides a general framework for conceptualizing mixed-halide perovskite light and temperature sensitivities, mediated by photocarriers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2024

Aeroelastic Stability Assessment Methodology and Application to Slat Noise Treatments on the High-Lift Common Research Model

This work supports a larger effort at NASA to reduce airframe noise and, thus, environmental noise around airports. The leading-edge slat of conventional high-lift systems is a prominent source of airframe noise, and two technologies were previously identified as promising for noise reduction without significant aerodynamic or weight penalty: the slat cove filler (SCF) and the slat gap filler (SGF). NASA fabricated a 10%-scale semispan aircraft model for wind tunnel testing based upon the High-Lift Common Research Model (CRM-HL). NASA embarked on a test campaign with the 10% CRM-HL to determine the noise reduction effectiveness and other performance metrics of 3D SCF and SGF treatments in flow conditions representative of flight. The highly flexible SCF and SGF treatments posed a risk to the model and aeroelastic instability would compromise research integrity, so aeroelastic stability assessment was required. This work briefly describes the 10% CRM-HL, design of the SCF and SGF treatments to the model, and supporting fluid structure interaction (FSI) research. Relations for static and dynamic aeroelastic similitude are then developed for convenience of reference, and simplifications are introduced of particular utility to the cases considered in this study. The similitude relations are employed to assess the stability of the treatments under wind tunnel flow conditions based upon known behaviors from the supporting research. It is shown that the treatments are safe for test under the anticipated wind tunnel flow conditions with significant margins/factors of safety. It is furthermore demonstrated that the SCF is more susceptible to aeroelastic instability than the SGF, which has implications for flight feasibility.

Similitude↗
DOE OSTI2025

Role of Polymer Architecture in CO 2 Capture from Air Using Supported Poly(alkylenimine)s: Linear vs Branched Polymers

Direct air capture (DAC) of CO 2 coupled with geologic storage is a promising climate change mitigation strategy, with some applications employing amines supported on porous solids as CO 2 sorbents. While branched poly(ethylenimine) (PEI) is the standard benchmark amine material, it suffers from limited oxidative stability. Poly(propylenimine) (PPI), as an alternative, has previously demonstrated improved resistance to degradation under harsh oxidative conditions. Linear and branched PEI are commercially available, though at different molecular weights, while PPI is not commercially available. For this reason, a comparative study of all four polymers (linear PEI, branched PEI, linear PPI, branched PPI) has not been reported for DAC. In this study, we synthesize and compare low-molecular-weight (∼800 g/mol) linear (L) and branched (B) PEI and PPI supported on a model support, SBA-15 silica. These materials are evaluated for CO 2 adsorption under dry, DAC-relevant conditions (400 ppm of CO 2 , 30 °C). LPPI exhibited the highest amine efficiency at all loadings, reaching a maximum of 0.14 mmol CO 2 /mmol N, outperforming BPEI, while LPEI consistently showed the lowest uptake capacity. Temperature-programmed desorption reveals that the structure of the amine polymer impacts the CO 2 binding strength, with branched polymers displaying higher desorption energies of 102−111 kJ/mol. In situ infrared spectroscopy experiments show that all sorbents preferentially capture CO 2 as ammonium carbamate. Isobaric CO 2 uptake studies further underscore the influence of polymer mobility and support pore crowding on performance, while demonstrating the sorbents’ performance at elevated temperatures and CO 2 concentrations. All materials demonstrated good stability over 25 adsorption−desorption cycles using thermal regeneration in an inert gas purge, with only BPPI displaying a 10−11% decrease in capacity/amine efficiency during cycling, possibly due to the loss of low molecular weight, oligomeric amines. This is the first side-by-side comparison of the CO 2 sorption properties of linear and branched PEI and PPI with similar molecular weights. These findings highlight the significant role of polymer architecture in CO 2 capture efficiency and inform future designs of durable, high-performance DAC sorbents.

adsorbents↗
NASA NTRSDate not supplied

Modeling and Simulation Efforts to Support Improved Comfort in ARGOS

BACKGROUND: The Active Response Gravity Offload System (ARGOS) provides an analog environment for extravehicular activity (EVA) testing and training. Discomfort has been observed during longer suited test sessions. While the subject’s core is offloaded during surface EVA evaluations, his/her arms experience full Earth gravity and can become overly fatigued, especially during suited tests which involve reaching and prolonged arm extensions. A device (ARGOS Negation of Gravitational Effects on the Limbs: ANGEL) to offload the weight of the arms and suit sleeves is being developed by JSC’s Flight Systems Branch, and here we present preliminary modeling of that device using the open-source biomechanical tool OpenSim [1,2] with an in-house developed plugin. We analyze a series of motions performed by a single shirt-sleeved subject with goals of characterizing the device, validating the model, and predicting whether reduced gravity conditions (i.e., lunar gravity (Lg) or Martian gravity (Mg)) can be accurately simulated with the device, as well as providing comfort to the ARGOS user. METHODS AND RESULTS: To model the offload device, we augment the OpenSim human model topology with the offload mechanism components and joints, using CAD models to represent the mechanism graphically. The joint angles of the device are either obtained from (1) inverse kinematics (IK) using motion capture markers on the various components of the device or (2) calculated in the OpenSim plugin by modeling how the components configure themselves under the offloading spring tension given a particular IK-derived arm position. Given the joint angles of the device, the resulting force on the arm is computed by the plugin and applied as an external load in inverse dynamics (ID) in order to enable study of overall shoulder joint torques as well as offload achieved. We verify the calculated joint angles by using the inverse kinematic data and the forces from manual measurements of the spring both independently and integrated within the device. We found that calculated joint angles generally represent the angles measured and computed with IK, supporting a possible analysis workflow inputting human motion data and observing system behavior under varied design parameters. In two different device configurations in which the maximum applied force was 131 N, our current model accurately captured force with a difference of 2-3 N from measured loads. Though our initial test was performed with a shirt-sleeve subject, arm weights were added to emulate the weight of the suit sleeve and the subject was positioned in a test stand with a Mark-III Hard Upper Torso (HUT) and Portable Life Support System (PLSS) mockup. Arm range of motion tasks were performed outside of the HUT, inside the HUT, and inside the HUT while using the device. A variety of other upper body tasks were completed as well. In summary, we have developed a model to investigate and verify an upper limb offload device currently in development. We believe this model will be a valuable tool not only for device characterization but also to predict proper configurations to simulate Lg or Mg conditions, investigate range of motion concerns, predict limitations such as internal collisions and contacts, and inform future design improvements.

L B Nilsson↗
NASA NTRS1996

Optimal Trajectories for the Helicopter in One-Engine-Inoperative Terminal-Area Operations

This paper presents a summary of a series of recent analytical studies conducted to investigate One-Engine-Inoperative (OEI) optimal control strategies and the associated optimal trajectories for a twin engine helicopter in Category-A terminal-area operations. These studies also examine the associated heliport size requirements and the maximum gross weight capability of the helicopter. Using an eight states, two controls, augmented point-mass model representative of the study helicopter, Continued TakeOff (CTO), Rejected TakeOff (RTO), Balked Landing (BL), and Continued Landing (CL) are investigated for both Vertical-TakeOff-and-Landing (VTOL) and Short-TakeOff-and-Landing (STOL) terminal-area operations. The formulation of the nonlinear optimal control problems with considerations for realistic constraints, solution methods for the two-point boundary-value problem, a new real-time generation method for the optimal OEI trajectories, and the main results of this series of trajectory optimization studies are presented. In particular, a new balanced- weight concept for determining the takeoff decision point for VTOL Category-A operations is proposed, extending the balanced-field length concept used for STOL operations.

Zhao, Yiyuan↗
DOE OSTI2012

The epigenetic effects of a high prenatal folate intake in male mouse fetuses exposed in utero to arsenic

Inorganic arsenic (iAs) is a complete transplacental carcinogen in mice. Previous studies have demonstrated that in utero exposure to iAs promotes cancer in adult mouse offspring, possibly acting through epigenetic mechanisms. Humans and rodents enzymatically convert iAs to its methylated metabolites. This reaction requires S-adenosylmethionine (SAM) as methyl group donor. SAM is also required for DNA methylation. Supplementation with folate, a major dietary source of methyl groups for SAM synthesis, has been shown to modify iAs metabolism and the adverse effects of iAs exposure. However, effects of gestational folate supplementation on iAs metabolism and fetal DNA methylation have never been thoroughly examined. In the present study, pregnant CD1 mice were fed control (i.e. normal folate, or 2.2 mg/kg) or high folate diet (11 mg/kg) from gestational day (GD) 5 to 18 and drank water with 0 or 85 ppm of As (as arsenite) from GD8 to 18. The exposure to iAs significantly decreased body weight of GD18 fetuses and increased both SAM and S-adenosylhomocysteine (SAH) concentrations in fetal livers. High folate intake lowered the burden of total arsenic in maternal livers but did not prevent the effects of iAs exposure on fetal weight or hepatic SAM and SAH concentrations. In fact, combined folate-iAs exposure caused further significant body weight reduction. Notably, iAs exposure alone had little effect on DNA methylation in fetal livers. In contrast, the combined folate-iAs exposure changed the CpG island methylation in 2,931 genes, including genes known to be imprinted. Most of these genes were associated with neurodevelopment, cancer, cell cycle, and signaling networks. The canonical Wnt-signaling pathway, which regulates fetal development, was among the most affected biological pathways. Taken together, our results suggest that a combined in utero exposure to iAs and a high folate intake may adversely influence DNA methylation profiles and weight of fetuses, compromising fetal development and possibly increasing the risk for early-onset of disease in offspring. Highlights: ► We used transplacental CD1 mice model for inorganic arsenic (iAs) carcinogenesis. ► We examined the effects of gestational iAs and high folate exposure on DNA methylation. ► iAs–folate interaction resulted in low fetal weights and changes in DNA methylation. ► Epigenetically altered genes were associated with cancer and neurodevelopment. ► We showed that in utero iAs–folate interaction negatively affects fetal development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TU-AB-BRC-11: Moving a GPU-OpenCL-Based Monte Carlo (MC) Dose Engine Towards Routine Clinical Use: Automatic Beam Commissioning and Efficient Source Sampling

Purpose: We have previously developed a GPU-OpenCL-based MC dose engine named goMC with built-in analytical linac beam model. To move goMC towards routine clinical use, we have developed an automatic beam-commissioning method, and an efficient source sampling strategy to facilitate dose calculations for real treatment plans. Methods: Our commissioning method is to automatically adjust the relative weights among the sub-sources, through an optimization process minimizing the discrepancies between calculated dose and measurements. Six models built for Varian Truebeam linac photon beams (6MV, 10MV, 15MV, 18MV, 6MVFFF, 10MVFFF) were commissioned using measurement data acquired at our institution. To facilitate dose calculations for real treatment plans, we employed inverse sampling method to efficiently incorporate MLC leaf-sequencing into source sampling. Specifically, instead of sampling source particles control-point by control-point and rejecting the particles blocked by MLC, we assigned a control-point index to each sampled source particle, according to MLC leaf-open duration of each control-point at the pixel where the particle intersects the iso-center plane. Results: Our auto-commissioning method decreased distance-to-agreement (DTA) of depth dose at build-up regions by 36.2% averagely, making it within 1mm. Lateral profiles were better matched for all beams, with biggest improvement found at 15MV for which root-mean-square difference was reduced from 1.44% to 0.50%. Maximum differences of output factors were reduced to less than 0.7% for all beams, with largest decrease being from1.70% to 0.37% found at 10FFF. Our new sampling strategy was tested on a Head&Neck VMAT patient case. Achieving clinically acceptable accuracy, the new strategy could reduce the required history number by a factor of ∼2.8 given a statistical uncertainty level and hence achieve a similar speed-up factor. Conclusion: Our studies have demonstrated the feasibility and effectiveness of our auto-commissioning approach and new efficient source sampling strategy, implying the potential of our GPU-based MC dose engine goMC for routine clinical use.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

A Life Cycle Analysis of Refinery Fuel Products Air Emissions Using Refinery Emissions Inventory Data

With the transportation sector being a major source of air pollutant emissions, this study seeks to evaluate criteria pollutant emissions associated with the use of petroleum fuels in vehicles using the GREET® (Greenhouse gases, Regulated Emissions, and Energy use in Transportation) well-to-wheel model. The life cycle of petroleum fuels includes the major stages of crude recovery, crude transportation, crude refining, fuel distribution and fuel combustion (vehicle operation). This study focuses on quantifying refinery emissions, in terms of both refinery throughput and various refinery fuel products, by matching a refinery emissions inventory dataset with refinery operation information, at various levels (national, regional, facility, and process unit). The refinery emissions in terms refinery throughput (per refinery crude input, in g/mmbtu crude) are developed at a regional level for various Petroleum Administration for Defense Districts (PADD), and also aggregated at the national level. To allocate refinery emissions to refinery products, a methodology is developed using a refinery operation optimization Linear Programming (LP) model for individual refineries. The results from individual refinery facilities are then aggregated to obtain statistical national average (capacity weighted) emissions for each product. Because refineries vary by complexity of operation, configuration, crude quality, and product slate, the derived emissions demonstrate large variation for each product and per unit of crude input. Relative to previous estimates used in the GREET model, the present research shows reductions in refinery (and life cycle) emissions for most criteria pollutants. The reduction is especially significant for sulfur dioxide (SOx) emissions.

Allocation↗
NASA NTRS1993

Evapotranspiration and runoff from large land areas: Land surface hydrology for atmospheric general circulation models

A land surface hydrology parameterization for use in atmospheric GCM's is presented. The parameterization incorporates subgrid scale variability in topography, soils, soil moisture and precipitation. The framework of the model is the statistical distribution of a topography-soils index, which controls the local water balance fluxes, and is therefore taken to represent the large land area. Spatially variable water balance fluxes are integrated with respect to the topography-soils index to yield our large topography-soils distribution, and interval responses are weighted by the probability of occurrence of the interval. Grid square averaged land surface fluxes result. The model functions independently as a macroscale water balance model. Runoff ratio and evapotranspiration efficiency parameterizations are derived and are shown to depend on the spatial variability of the above mentioned properties and processes, as well as the dynamics of land surface-atmosphere interactions.

Famiglietti, J. S.↗
NASA NTRS1997

Optimal Trajectories for the Helicopter in One-Engine-Inoperative Terminal-Area Operations

This paper presents a summary of a series of recent analytical studies conducted to investigate one-engine-inoperative (OEI) optimal control strategies and the associated optimal trajectories for a twin engine helicopter in Category-A terminal-area operations. These studies also examine the associated heliport size requirements and the maximum gross weight capability of the helicopter. Using an eight states, two controls, augmented point-mass model representative of the study helicopter, continued takeoff (CTO), rejected takeoff (RTO), balked landing (BL), and continued landing (CL) are investigated for both vertical-takeoff-and-landing (VTOL) and short-takeoff-and-landing (STOL) terminal-area operations. The formulation of the non-linear optimal control problems with considerations for realistic constraints, solution methods for the two-point boundary-value problem, a new real-time generation method for the optimal OEI trajectories, and the main results of this series of trajector optimization studies are presented. In particular, a new balanced-weight concept for determining the takeoff decision point for VTOL Category-A operations is proposed, extending the balanced-field length concept used for STOL operations.

Chen, Robert T. N.↗
NASA NTRS1999

Technical Report Series on Global Modeling and Data Assimilation: Filtering Techniques on a Stretched Grid General Circulation Model - Volume 16

This report documents the techniques used to filter quantities on a stretched grid general circulation model. Standard high-latitude filtering techniques (e.g., using an FFT (Fast Fourier Transformations) to decompose and filter unstable harmonics at selected latitudes) applied on a stretched grid are shown to produce significant distortions of the prognostic state when used to control instabilities near the pole. A new filtering technique is developed which accurately accounts for the non-uniform grid by computing the eigenvectors and eigenfrequencies associated with the stretching. A filter function, constructed to selectively damp those modes whose associated eigenfrequencies exceed some critical value, is used to construct a set of grid-spaced weights which are shown to effectively filter without distortion. Both offline and GCM (General Circulation Model) experiments are shown using the new filtering technique. Finally, a brief examination is also made on the impact of applying the Shapiro filter on the stretched grid.

Takacs, Lawrence L.↗
DOE OSTI2016

Dynamically combining climate models to “supermodel” the tropical Pacific

Abstract We construct an interactive ensemble of two different climate models to improve simulation of key aspects of tropical Pacific climate. Our so‐called supermodel is based on two atmospheric general circulation models (AGCMs) coupled to a single ocean GCM, which is driven by a weighted average of the air‐sea fluxes. Optimal weights are determined using a machine learning algorithm to minimize sea surface temperature errors over the tropical Pacific. This coupling strategy synchronizes atmospheric variability in the two AGCMs over the equatorial Pacific, where it improves the representation of ocean‐atmosphere interaction and the climate state. In particular, the common double Intertropical Convergence Zone error is suppressed, and the positive Bjerknes feedback improves substantially to match observations well, and the negative heat flux feedback is also much improved. This study supports the concept of supermodeling as a promising multimodel ensemble strategy to improve weather and climate predictions.

Shen, Mao‐Lin↗
DOE OSTI2018

Experimental and Theoretical Research into Dynamic Loading of Tungsten Porous Alloy with Reinforcing Agent

The paper studies the behavior of ceramic porous tungsten alloy with reinforcing agents under the shock-wave loading conditions. Penetrating capacity of tungsten kinetic energy projectiles is calculated and experimentally investigated during their high-speed impacts on steel plates. It is shown that the increased penetration depth of tungsten projectiles exceeds that of the prototype with relevant weight and size, made of tungsten-nickel-iron cast alloy. A mathematical model is developed together with the design technique of the behavior of tungstennickel-iron-cobalt metal foams alloyed with boron carbide, tungsten titanium carbide and tungsten carbide during the high-speed impact interaction. The composite ceramic material is described here as a porous medium. The matrix of this medium is a homogeneous two-phase mixture of the tungsten-nickel-iron-cobalt system and reinforcing agents added in the required proportions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A spectral-Lagrangian Boltzmann solver for a multi-energy level gas

In this paper a spectral-Lagrangian method is proposed for the full, non-linear Boltzmann equation for a multi-energy level gas typical of a hypersonic re-entry flow. Internal energy levels are treated as separate species and inelastic collisions (leading to internal energy excitation and relaxation) are accounted for. The formulation developed can also be used for the case of a gas mixture made of monatomic gases without internal energy (where only elastic collisions occur). The advantage of the spectral-Lagrangian method lies in the generality of the algorithm in use for the evaluation of the elastic and inelastic collision operators, as well as the conservation of mass, momentum and energy during collisions. The latter is realized through the solution of constrained optimization problems. The computational procedure is based on the Fourier transform of the partial elastic and inelastic collision operators and exploits the fact that these can be written as weighted convolutions in Fourier space with no restriction on the cross-section model. The feasibility of the proposed approach is demonstrated through numerical examples for both space homogeneous and in-homogeneous problems. Computational results are compared with those obtained by means of the DSMC method in order to assess the accuracy of the proposed spectral-Lagrangian method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Development and property evaluation of nuclear grade wrought FeCrAl fuel cladding for light water reactors

Development of nuclear grade, iron-based wrought FeCrAl alloys has been initiated for light water reactor (LWR) fuel cladding to serve as a substitute for zirconium-based alloys with enhanced accident tolerance. Ferritic alloys with sufficient chromium and aluminum additions can exhibit significantly improved oxidation kinetics in high-temperature steam environments when compared to zirconium-based alloys. In the first phase, a set of model FeCrAl alloys containing 10–20Cr, 3–5Al, and 0–0.12Y in weight percent, were prepared by conventional arc-melting and hot-working processes to explore the effect of composition on the properties of FeCrAlY alloys. It was found that the tensile properties were insensitive to the alloy compositions studied; however, the steam oxidation resistance strongly depended on both the chromium and the aluminum contents. The second phase development focused on strengthening Fe-13Cr-5Al with minor alloying additions of molybdenum, niobium, and silicon. Combined with an optimized thermo-mechanical treatment, a thermally stable microstructure was produced with improved tensile properties at temperatures up to 741°C.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Control of hierarchical polymer mechanics with bioinspired metal-coordination dynamics

In conventional polymer materials, mechanical performance is traditionally engineered via material structure, using motifs such as polymer molecular weight, polymer branching, or copolymer-block design1. Here, by means of a model system of 4-arm poly(ethylene glycol) hydrogels crosslinked with multiple, kinetically distinct dynamic metal-ligand coordinate complexes, we show that polymer materials with decoupled spatial structure and mechanical performance can be designed. By tuning the relative concentration of two types of metal-ligand crosslinks, we demonstrate control over the material’s mechanical hierarchy of energy-dissipating modes under dynamic mechanical loading, and therefore the ability to engineer a priori the viscoelastic properties of these materials by controlling the types of crosslinks rather than by modifying the polymer itself. This strategy to decouple material mechanics from structure may inform the design of soft materials for use in complex mechanical environments.

36 MATERIALS SCIENCE↗