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At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Bicontinuous nanoporous design induced homogenization of strain localization in metallic glasses

Bicontinuous nanoporous metallic glasses (MG) synergize the outstanding properties of MGs and open-cell nanoporous materials. The low-density and high-specific-surface-area of bicontinuous nanoporous structures have the potential to enhance the applicability of MGs in catalysis, sensors, and lightweight structural designs. In this work, we report molecular dynamics simulations of tensile loading deformation and failure of bicontinuous nanoporous Cu 64 Zr 36 MG with 55% porosity and 4.4 nm ligament size. Results indicate an anomalous mechanical behavior featuring delocalized plastic deformation preceding ductile failure. The deformation follows two mechanisms: i) Necking of ligaments aligned with the loading direction and ii) progressive alignment of randomly oriented ligaments. Failure occurs at 0.16 strain, following massive rupture of ligaments. This work indicates that a bicontinuous nanoporous design is able to effectively delocalize strain localization in a MG due to a combination of size effect on the ductility of MGs resulting in nano ligaments necking and progressive asynchronous alignment of ligaments.

36 MATERIALS SCIENCE↗

DOE OSTI2023

The Effect of Monomer Size on Fusion and Coupling in Colloidal Quantum Dot Molecules

The fusion step in the formation of colloidal quantum dot molecules, constructed from two core/shell quantum dots, dictates the coupling strength and hence their properties and enriched functionalities compared to monomers. Herein, studying the monomer size effect on fusion and coupling, we observe a linear relation of the fusion temperature with the inverse nanocrystal radius. This trend, similar to that in nanocrystal melting, emphasizes the role of the surface energy. The suggested fusion mechanism involves intraparticle ripening where atoms diffuse to the reactive connecting neck region. Moreover, the effect of monomer size and neck filling on the degree of electronic coupling is studied by combined atomistic-pseudopotential calculations and optical measurements, uncovering strong coupling effects in small QD dimers, leading to significant optical changes. Understanding and controlling the fusion and hence coupling effect allows tailoring the optical properties of these nanoscale structures, with potential applications in photonic and quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Role of Superlattice Phonons in Charge Localization Across Quantum Dot Arrays

Understanding charge transport in semiconductor quantum dot (QD) assemblies is important for developing the next generation of solar cells and light-harvesting devices based on QD technology. One of the key factors that governs the transport in such systems is related to the hybridization between the QDs. Recent experiments have successfully synthesized QD molecules, arrays, and assemblies by directly fusing the QDs, with enhanced hybridization leading to high carrier mobilities and coherent band-like electronic transport. Here, in this work, we theoretically investigate the electron transfer dynamics across a finite CdSe-CdS core-shell QD array, considering up to seven interconnected QDs in one dimension. We find that, even in the absence of structural and size disorder, electron transfer can become localized by the emergent low-frequency superlattice vibrational modes when the connecting neck between QDs is narrow. On the other hand, we also identify a regime where the same vibrational modes facilitate coherent electron transport when the connecting necks are wide. Overall, we elucidate the crucial effects of electronic and superlattice symmetries and their couplings when designing high-mobility devices based on QD superlattices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Microscopic evidence for scission neutrons

We discuss the neck rupture stage of fission and the emission of particles afterwards, two extremely rapid and highly non-equilibrium processes. Currently, the neck rupture cannot be directly probed by experiment, highlighting the importance of reliable theoretical predictions for this stage of fission. Time-dependent density functional theory (TDDFT) is used to simulate the spontaneous fission of 252 Cf. In conjunction with statistical models, inputs from microscopic calculations can be used to make predictions for prompt neutron and gamma emission spectra, quantities which can be experimentally measured. Here we characterize the scission mechanism within TDDFT and estimate the number of scission neutrons and their kinetic energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Subdomain cryo-EM structure of nodaviral replication protein A crown complex provides mechanistic insights into RNA genome replication

For positive-strand RNA [(+)RNA] viruses, the major target for antiviral therapies is genomic RNA replication, which occurs at poorly understood membrane-bound viral RNA replication complexes. Recent cryoelectron microscopy (cryo-EM) of nodavirus RNA replication complexes revealed that the viral double-stranded RNA replication template is coiled inside a 30- to 90-nm invagination of the outer mitochondrial membrane, whose necked aperture to the cytoplasm is gated by a 12-fold symmetric, 35-nm diameter “crown” complex that contains multifunctional viral RNA replication protein A. Here we report optimizing cryo-EM tomography and image processing to improve crown resolution from 33 to 8.5 Å. This resolves the crown into 12 distinct vertical segments, each with 3 major subdomains: A membrane-connected basal lobe and an apical lobe that together comprise the ~19-nm-diameter central turret, and a leg emerging from the basal lobe that connects to the membrane at ~35-nm diameter. Despite widely varying replication vesicle diameters, the resulting two rings of membrane interaction sites constrain the vesicle neck to a highly uniform shape. Labeling protein A with a His-tag that binds 5-nm Ni-nanogold allowed cryo-EM tomography mapping of the C terminus of protein A to the apical lobe, which correlates well with the predicted structure of the C-proximal polymerase domain of protein A. These and other results indicate that the crown contains 12 copies of protein A arranged basally to apically in an N-to-C orientation. Moreover, the apical polymerase localization has significant mechanistic implications for template RNA recruitment and (-) and (+)RNA synthesis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Swab Tensile Testing Results [Slides]

HP PA11 material swabs predominantly broke at the joint between the head and the neck, although there was significant variation in the break locations. HP PA12, Injection Molded, and FormLabs (Surgical Guide V1 Resin) material swabs predominately broke in the neck region.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Report on partially complete post-irradiation-examination of the INL samples

Ferritic-martensitic steels (NF616 and T91), and austenitic stainless steel 800H and its Grain Boundary Engineering (GBE)-treated version 800H-TMP (ThermoMechanical Processing) were irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) and their microstructures and mechanical properties were characterized. Ferritic-martensitic steels were irradiated up to 8.16 dpa in the irradiation temperatures ranging from 241 °C to 447.5 °C. Selected 800H and 800H-TMP samples were also irradiated up to 9.12 dpa at 359°C to 431°C. Vickers hardness measurement, fractography, and microstructural characterization were performed on the selected samples in the LAMDA lab. Radiation-induced hardening of NF616 and T91 was observed in the hardness measurements which show ~37% to ~65% increases, depending on irradiation dose and irradiation temperature. Within the irradiation conditions studied in this work, samples with a higher dose had a higher hardness. All the tested alloy 800H and 800H-TMP in this work showed irradiation-hardening by ~96±7% to ~152±10%. Alloy 800HTMP tended to have slightly smaller irradiation-hardening than alloy 800H. The fractography of NF616 samples D2 (2.96 dpa at 291.5°C), D4 (5.91 dpa at 359°C), and D6 (8.16 dpa at 431°C) indicated loss of ductility with negligible necking for the sample D2, yet obvious ductile failure for samples D4 and D6. Fractography of alloy 800H samples N4 (7.27 dpa at 359°C), N5 (3.9 dpa at 451.5°C), and N6 (9.01 dpa at 431°C), and alloy 800H-TMP samples P4 (7.36 dpa at 359°C), P5 (3.95 dpa at 451.5°C), and P6 (9.12 dpa at 431°C) indicated that all samples failed in a ductile mode, with obvious necking. Dimples were observed where large Ti-containing particles were observed for the samples. TEM characterization was performed on alloy 800H (N4, N5, N6) and 800H-TMP (P4, P5 and P6). Accumulation of M23C6 precipitates at grain boundaries was observed in all samples, and the presence of Ti(C,N) precipitates at grain boundaries and in the matrix was observed in alloy 800H-TMP. M23C6 precipitates were found to have the cube-on-cube orientation relationship with the matrix. In addition, nanoscale Si-rich clusters were observed in the matrix of all samples. Atom probe tomography was conducted on the same samples, and their results are being analyzed to be integrated with the TEM results for a confident description of the clustering behavior. Due to the low irradiation temperature (up to 451.5°C), dislocation loops formed in all samples, with the density and the average size of dislocation loops in the order of 1022 – 1023 m-3 and 11.7 – 15.9 nm, respectively. The loop densities in alloy 800H were higher than that in alloy 800H-TMP under the same irradiation conditions. Further systematic data analyses, together with some complementary experiments, will be pursued for these samples to foster peer-reviewed journal article publications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Microscopic Evidence for Scission Neutrons

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

In Situ Investigation of Upper Airway Occlusion in Sleep Disordered Breathing Using Ultrasonic Transducer Arrays

This work presents a novel application of ultrasound for the real-time, non-invasive investigation of occlusion of the upper airway during events of obstructive sleep apnea/hypopnea syndrome. It is hypothesized that ultrasonic pulses applied to the neck during apneic events produce spectral and temporal features that can detect apnea occurrence. Theoretical models of ultrasound propagation and an in vitro test were conducted to test this hypothesis in both transmission and reflection modes. Complete specifications and technical details of the system design and fabrication, which is mounted on each subject’s neck, are presented, including the methodology. Nine patients (seven male and two female, mean age of 42 years, with a range of 25 to 56 years, and body mass index 37.6 ± 6.6 kg/m2) were recruited for a full night study, which included simultaneous nocturnal polysomnography for the validation of the results. Nine temporal features and four spectral features were extracted from the envelope of the received pulse waveform. These were used to compute 26 metrics to quantify the changes in the ultrasonic waveforms between normal breathing and apneic events. The statistical analysis of the collected ultrasonic data showed that at least two or more of the proposed features could detect apneic events in all subjects. The findings establish the feasibility of the proposed method as a cost-effective and non-invasive OSAHS screening tool.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Comparison of Motion Analysis Systems in Tracking Upper Body Movement of Myoelectric Bypass Prosthesis Users

Current literature lacks a comparative analysis of different motion capture systems for tracking upper limb (UL) movement as individuals perform standard tasks. To better understand the performance of various motion capture systems in quantifying UL movement in the prosthesis user population, this study compares joint angles derived from three systems that vary in cost and motion capture mechanisms: a marker-based system (Vicon), an inertial measurement unit system (Xsens), and a markerless system (Kinect). Ten healthy participants (5F/5M; 29.6 ± 7.1 years) were trained with a TouchBionic i-Limb Ultra myoelectric terminal device mounted on a bypass prosthetic device. Participants were simultaneously recorded with all systems as they performed standardized tasks. Root mean square error and bias values for degrees of freedom in the right elbow, shoulder, neck, and torso were calculated. The IMU system yielded more accurate kinematics for shoulder, neck, and torso angles while the markerless system performed better for the elbow angles. By evaluating the ability of each system to capture kinematic changes of simulated upper limb prosthesis users during a variety of standardized tasks, this study provides insight into the advantages and limitations of using different motion capture technologies for upper limb functional assessment.

42 ENGINEERING↗

DOE OSTI2025

Assessing Seismic Risk for CO2 Geologic Storage: Comparative Analysis of the Delaware Basin and Basin and Range Province Projects

ABSTRACT: Effective management of induced seismicity is critical for safe and sustainable CO2 storage. This study evaluates fault slippage risks in the Delaware Basin (Texas) and Basin and Range Province (Utah), integrating geological, operational, and geomechanical parameters to assess fault stability and seismic hazard mitigation. In the Delaware Basin, two sites were analyzed under an injection rate of 20,000 bbl/day over 25 years. One site showed low fault slip risk, while the other exhibited higher reactivation potential due to proximity to critically stressed faults. Sensitivity analysis revealed that increased pore pressure significantly heightened slip potential, highlighting the necessity of precise pressure control and real-time monitoring. In the Basin and Range Province, fault stability was evaluated at Neck of the Desert, Escalante Desert, Parowan, and Beaver sites under injection rates of 8,750 bbl/day per site over 30 years. Minimal fault slip risk was observed at Neck of the Desert and Escalante Desert sites, whereas Parowan and Beaver sites exhibited elevated slip potential due to semi-critically stressed faults sensitive to modest pore pressure increases. The findings demonstrate that fault slippage analysis, combined with sensitivity analysis of pore pressure and friction coefficients, is essential for understanding seismic risks. Continuous monitoring, adaptive injection management, and rigorous geomechanical analysis are key strategies for minimizing induced seismicity in CO2 sequestration projects.

58 GEOSCIENCES↗

NASA NTRS1973

Finite deformation of elasto-plastic solids

A theoretical basis is established for analysis of finite deformation of metals. The observation that finite deformation of such elastoplastic materials may be viewed as a process rather than an event leads to derivation of a complete initial and boundary value problem distinguished by its quasilinear nature. This feature of the formulation motivates adoption of an incremental approach to numerical problem solving. Numerical solution capability is established for problems of plane stress and plane strain. The validity of the theory and numerical analysis is demonstrated by consideration of a number of problems of homogeneous finite deformation for which analytic solutions are available. Subsequently the analysis is employed for the investigation of necking in flat metal tensile bars. The results of this investigation provide the first full numerical solutions for tensile necking in plane stress and plane strain. In addition a basis is provided for assessment of the validity of stress-strain relations inferred from tensile test data.

Osias, J. R.↗

NASA NTRS1974

Analytic model for assessing the thermal performance of scuba divers

A biothermal model with a physically-controlled subsystem and a dynamically-controlled subsystem is developed to simulate the thermoregulatory system of man under immersed conditions. The model is consistent with experimental data for seminude subjects immersed to neck in cool to temperate water and for 'wet-suited' subjects immersed to neck in cold water. Equations are derived for predicting body temperatures under various dive conditions.

Montgomery, L. D.↗

NASA NTRS1975

Dewar technology study

The development of a Dewar system for handling liquid helium under weightless conditions is described. Porous plug designs for the prevention of superfluid creep out of the dewar through the vent line were evaluated. For the purpose of designing a neck to provide a transition from the cold cavity to the outside, the loads carried by the neck and equipment supports were studied. Temperature, pressure, and mass flow instrumentation for monitoring Dewar performance were also evaluated. In addition, multilayer blankets consisting of aluminized Mylar separated by Dacron net sheets were designed to insulate the pressure vessel. The dewar system is suggested for use with the star tracking telescope aboard the relativity satellite.

Davis, W.↗

NASA NTRS1979

Modeling of radiative heating of base region of Jovian entry probe

The mechanism of radiative heating of the afterbody region of Jovian entry probe is analyzed. A theoretical model is derived to determine the average thermodynamic properties in the expanding region, recirculating region, recompression region, and neck region through application of one-dimensional conservation equations. Flow parameters are obtained from the shadowgraphs of a free-flight test. Radiative transfer is calculated using spectrally detailed computer codes accounting for nonequilibrium. The results show that the most severe heating occurs immediately behind the frustum, and that the recompression and neck regions are the major sources of radiation that heats the base stagnation point. The radiation flux to the base point is slightly stronger with ablation than without, its value being 0.11(43Pb/Ps)squared times that to the front stagnation point, where Pb/Ps is the ratio of base-to-front stagnation point pressures and its value is in the range 0.023-0.066. The time-integrated heat load to the base point is 18(43Pb/Ps)squared kJ/sq cm. Existing experimental data are shown to agree with the theoretical prediction.

Park, C.↗

NASA NTRS1981

Evidence of imbedded vortices in a three-dimensional shear flow

Vortex phenomena encountered in an investigation of the streamwise development of the three-dimensional wake region behind the tip of a three-dimensional wedge model are reported. Pressure profiles were measured by pitot probes downstream of a tip with a nearly constant surface pressure level and a nearly continuous surface curvature in a blowdown air tunnel operating at Mach 6. Rather than the simple three-dimensional quasi-parallel shear flow expected, the measurements indicated the presence of a flow with large deficits in longitudinal pitot pressure, which are usually associated with the core region of quasi-steady longitudinal vortices. Vapor screen flow visualizations also support the presence of longitudinal vortices located primarily in the tip region and evidently forming in the vicinity of the wake neck. An increase in overall wake thickness by 100% is also observed. The origin of the vortices as quasi-steady Taylor-Gortler vortices generated in the concavely curved shear layer near the wake neck is considered. It is pointed out that the existence of longitudinal vortexes suggests that three-dimensional turbulence modeling may be much more difficult than previously supposed.

Morrisette, E. L.↗

NASA NTRS1981

Analysis of JP-4 fire test data and development of a simple fire model

A series of field experiments involving JP-4 fires of 7.6m dia and 15.2m dia was conducted under the sponsorship of NASA. The temperature inside the fire, the specie composition and vertical axial velocity were measured at several height locations and radial positions. The peak temperature recorded is 1400-1500 K; the velocities at 6m height are 11-12 m/s. The oxygen-to-nitrogen mass ratio along the vertical axis was found to be nearly a constant at 0.05. Significant necking of the fire was observed. A simple theoretical model was developed that predicts the experimental data on the velocity and vertical temperature distribution well. The model is based on the partial combustion of entrained air and assumed top-hat distributions for various property and flow parameters inside the fire. Quantitative agreement is obtained by using a value of 0.15 for the entrainment coefficient and 0.45 for the mixing efficiency factor. The model also predicts the fire necking.

Raj, P. K.↗

NASA NTRS1981

Effects of vasopressin administration on diuresis of water immersion in normal humans

The influence of vasopressin suppression on the diuresis encountered during water immersion is investigated in studies on normal humans immersed to the neck. Six hydrated male subjects were studied on two occasions while undergoing 6 h of immersion without or during the administration of aqueous vasopressin for the initial 4 h. Neck immersion is found to result in a significant increase in urinary flow rate beginning in the first hour and persisting throughout the immersion. The administration of vasopressin markedly attenuated the diuretic response throughout the period of infusion, while cessation of vasopressin administration during the final 2 h of immersion resulted in a marked offset of the antidiuresis. Results thus support the view that the suppression of antidiuretic hormone contributes to the immersion diuresis of hydrated subjects.

Epstein, M.↗