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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Plasticity and fracture behavior of Inconel 625 manufactured by laser powder bed fusion: Comparison between as-built and stress relieved conditions

In this work, the influence of stress relief on the plasticity and fracture behavior of Inconel 625 fabricated through laser powder bed fusion additive manufacturing (AM) was investigated. The as-built versus stress relieved microstructures were compared, showing similar grain structures but the presence of ~10 vol % δ phase in the stress relieved condition, and no δ phase in the as-built condition. Mechanical tests under plane strain tension were performed on the stress relieved samples, and an anisotropic plasticity model was calibrated and validated using finite element simulations. Uniaxial and notched tension tests were performed on both as-built and stress relieved samples to probe the effect of stress relief on stress state- and direction-dependent fracture behavior. It was found that on average, the fracture strain of the stress relieved samples along the build direction was 30% higher than that along the perpendicular build direction in the stress state range studied, and the stress relief heat treatment resulted in a 45% decrease in fracture strain. The fracture strain in stress relieved samples was more strongly dependent on stress state than in as-built samples.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Developing ductile and isotropic Ti alloy with tailored composition for laser powder bed fusion

Laser powder bed fusion (LPBF) is an advanced technology to create metallic components with complex geometry. Ti-6Al-4V (Ti64) is one of the most frequently used materials for LPBF. The intrinsic high cooling rates and ultra-high directional thermal gradient of melt, however, lead to a hierarchical structure composed of fine martensitic alpha' within columnar prior-beta grains in LPBF Ti64. This microstructure results in poor ductility and strong mechanical anisotropy in as-built Ti64 components, which largely limit their applications. Here, we report that the above shortcomings can be overcome by tailoring the alloy composition. Specifically, by reducing the aluminum content from 6 wt% to 4 wt%, the resultant LPBF Ti-4Al-4V (Ti44) alloy exhibits substantially improved ductility and mechanical isotropy. These improvements are attributed to grain refinement during solidification and the activation of multiple slip modes and twinning in the as-built material during deformation. This work offers a simple strategy to design new titanium alloys for LPBF with significantly improved ductility and isotropy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Detection of Part Porosity in Additive Manufacturing Using Machining

Monitoring of part porosity in additive manufacturing is critical for part qualification and process parameter development. This article describes the monitoring of porosity in additive manufacturing using machining. Grade 91 steel samples with different levels of porosity were additively manufactured using a laser blown-powder process. The samples were machined, and the tool position and cutting power were monitored using the machine controller and an external power transducer, respectively. Results show that the power transducer is sensitive to machining porosities. A novel approach using the standard deviation of cutting power was developed to determine the location of porosities along the length of the machining pass. Test cuts were completed at different machining process parameters. Results showed that the probability of detection was one for pore volume greater than 0.3 mm 3 at different machining parameters. In conclusion, although the detection of porosity using machining is a destructive method for evaluation, it offers a low-cost and fast approach for monitoring porosity in additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

All polymer microfluidic chips—A fixed target sample delivery workhorse for serial crystallography

The development of x-ray free electron laser (XFEL) light sources and serial crystallography methodologies has led to a revolution in protein crystallography, enabling the determination of previously unobtainable protein structures and near-atomic resolution of otherwise poorly diffracting protein crystals. However, to utilize XFEL sources efficiently demands the continuous, rapid delivery of a large number of difficult-to-handle microcrystals to the x-ray beam. A recently developed fixed-target system, in which crystals of interest are enclosed within a sample holder, which is rastered through the x-ray beam, is discussed in detail in this Perspective. The fixed target is easy to use, maintains sample hydration, and can be readily modified to allow a broad range of sample types and different beamline requirements. Recent innovations demonstrate the potential of such microfluidic-based fixed targets to be an all-around “workhorse” for serial crystallography measurements. In conclusion, this Perspective will summarize recent advancements in microfluidic fixed targets for serial crystallography, examine needs for future development, and guide users in designing, choosing, and utilizing a fixed-target sample delivery device for their system.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Role of scan strategies and heat treatment on grain structure evolution in Fe-Si soft magnetic alloys made by laser-powder bed fusion

A major goal in printing soft magnetic Fe-Si steels using additive manufacturing is to take advantage of the potential for complex geometric designs and site-specific grain control. One major step in the processing of these alloys is understanding how processing parameters might impact how the as-built microstructure responds to annealing (i.e. the annealing response). The impact of scan strategy on the annealing response for thin wall geometries is specifically explored. Two scan strategies were explored for a thin wall geometry that produced a strongly columnar grain structure and equiaxed grain structure. Additionally, samples from both scan strategies annealed at 1200 °C showed a marked difference in annealing response with the more equiaxed sample seeing full recrystallization and grain growth, while the more columnar grain structure saw little change in microstructure. After analysis through characterization techniques and thermal-mechanical simulations Differences in internal energy within the grains were ruled out because calculated GND density values were similar for both samples. The formation of secondary particles was ruled out as a contributing factor due to the type of oxide formations and their size. It was concluded that the contributing factor to the difference in the annealing response were a difference in the resulting grain size and the density of high angle grain boundaries. These two differences were largely attributed to differences in the thermal gradient conditions due to grains preferentially growing in the direction of the steepest thermal gradient.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Non-thermal fluence threshold for femtosecond pulsed x-ray radiation damage in perovskite complex oxide epitaxial heterostructures

Intense hard x-ray pulses from a free-electron laser induce irreversible structural damage in a perovskite oxide epitaxial heterostructure when pulse fluences exceed a threshold value. The intensity of x-ray diffraction from a 25-nm thick epitaxial BiFeO 3 layer on a SrTiO 3 (STO) substrate measured using a series of pulses decreases abruptly with a per-pulse fluence of 2.7 x 10(6) photons mu m -2 at a photon energy of 9.7 keV but remains constant for 1.3 x 10 6 photons mu m -2 or less. The damage resulted in the destruction of the BiFeO 3 thin film within the focal spot area and the formation of a deep cavity penetrating into the STO substrate via the removal of tens of nanometers of material per pulse. The damage threshold occurs at a fluence that is insufficient to heat the absorption volume to the melting point. The morphology of the ablated sample is consistent with fracture rather than melting. Together, these results indicate that the damage occurs via a nonthermal process consistent with ultrafast ionization of the absorption volume.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Experimental demonstration of attosecond pump–probe spectroscopy with an X-ray free-electron laser

Pump–probe experiments with subfemtosecond resolution are the key to understanding electronic dynamics in quantum systems. Here we demonstrate the generation and control of subfemtosecond pulse pairs from a two-colour X-ray free-electron laser. By measuring the delay between the two pulses with an angular streaking diagnostic, we characterize the group velocity of the X-ray free-electron laser and show control of the pulse delay down to 270as. Here, we confirm the application of this technique to a pump–probe measurement in core-ionized para-aminophenol. These results reveal the ability to perform pump–probe experiments with subfemtosecond resolution and atomic site specificity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Stabilization of the Polar Structure and Giant Second-Order Nonlinear Response of Single Crystal γ-NaAs 0.95 Sb 0.05 Se 2

The dearth of suitable materials significantly restricts the practical development of infrared (IR) laser systems with highly efficient and broadband tuning. Recently, γ-NaAsSe 2 is reported, and it exhibits a large nonlinear second-harmonic generation (SHG) coefficient of 590 pm V —1 at 2 µm. However, the crystal growth of γ-NaAsSe 2 is challenging because it undergoes a phase transition to centrosymmetric δ-NaAsSe 2 . Herein, the stabilization of non-centrosymmetric γ-NaAsSe 2 by doping the As site with Sb, which results in γ-NaAs 0.95 Sb 0.05 Se 2 is reported. The congruent melting behavior is confirmed by differential thermal analysis with a melting temperature of 450 °C and crystallization temperature of 415 °C. Single crystals with dimensions of 3 mm × 2 mm are successfully obtained via zone refining and the Bridgman method. The purification of the material plays a significant role in crystal growth and results in a bandgap of 1.78 eV and thermal conductivity of 0.79 Wm —1 K —1 . The single-crystal SHG coefficient of γ-NaAs 0.95 Sb 0.05 Se 2 exhibits an enormous value of |d 11 | = 648 ± 74 pm V —1 , which is comparable to that of γ-NaAsSe 2 and ≈20× larger than that of AgGaSe 2 . Importantly, the bandgap of γ-NaAs 0.95 Sb 0.05 Se 2 (1.78 eV) is similar to that of AgGaSe 2 , thus rendering it highly attractive as a high-performing nonlinear optical material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Clocking Auger electrons

Intense X-ray free-electron lasers (XFELs) can rapidly excite matter, leaving it in inherently unstable states that decay on femtosecond timescales. The relaxation occurs primarily via Auger emission, so excited-state observations are constrained by Auger decay. In situ measurement of this process is therefore crucial, yet it has thus far remained elusive in XFELs owing to inherent timing and phase jitter, which can be orders of magnitude larger than the timescale of Auger decay. Here we develop an approach termed ‘self-referenced attosecond streaking’ that provides subfemtosecond resolution in spite of jitter, enabling time-domain measurement of the delay between photoemission and Auger emission in atomic neon excited by intense, femtosecond pulses from an XFEL. FUrthermore, using a fully quantum-mechanical description that treats the ionization, core-hole formation and Auger emission as a single process, the observed delay yields an Auger decay lifetime of \(2.2_{ - 0.3}^{ + 0.2}\) fs for the KLL decay channel.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

3D small-gain formula allowing strong focusing and harmonic lasing for a ring-based x-ray free electron laser oscillator

We present a detailed derivation of a formula for the small-gain calculation for an x-ray free electron laser oscillator (XFELO) based on a medium-energy (3–4 GeV) storage ring. We found harmonic lasing and strong focusing are essential for this beam energy range. Taking the small-signal low-gain formula developed by Kim and his colleagues, we modified it in such a way that the gain can be calculated without the “no focusing approximation,” and a strong focusing can be applied, as well as harmonic lasing. In this formula, the gain is represented as a product of two factors with one of them depending only on the harmonic number, undulator period, and gap. Using this factor, we show that it is favorable to use harmonic lasing to achieve hard x-ray FEL working in the small-signal low-gain regime with the medium-energy electron beam. Our formula also allows FEL optimization by varying the vertical gradient of the undulator, the vertical dispersion, and the horizontal and vertical focusing, independently. As an example, we applied this formula to study the feasibility of an XFELO option for the National Synchrotron Light Source II (NSLS-II) upgrade. Since a quite high peak current is required for the FEL, collective effects of beam dynamics in medium-energy synchrotrons significantly affect the electron beam parameters. We carried out a multiparameter optimization taking collective effects into account. Note, even though our example is for a ring-based XFELO at 3 to 4 GeV, the formula and, in particular, the approach developed here may be applied to other types of FELs. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2026

Task Sharing of Proton Incorporation in Vertically Aligned Nanocomposite Triple Conductors: Growth, Structure, and Surface Exchange Kinetics

As protonic ceramic electrolysis cells emerge for efficient H 2 production, there is a need to develop air electrode materials enabling fast, durable steam splitting and proton incorporation. Single-phase triple conductors may fail to satisfy the myriad performance/stability requirements, and their critical charge-carriers (holes, oxygen vacancies, and protons) are in competition, limiting their concentrations. Instead, we propose task-sharing, vertically aligned nanocomposites (VANs), comprising a proton conductor (BaZr 0.9 Y 0.1 O 3-δ ) and a redox-active mixed ionic electronic conductor (Ce 0.9 Pr 0.1 O 2-δ ), that may enable rapid proton surface exchange at the solid–gas interface and transport along the solid–solid heterointerfaces. We grew VANs by pulsed laser deposition and investigated the interplay between their processing conditions, structure, and proton and oxygen surface exchange kinetics. We varied the substrate temperature, laser repetition rate, laser fluence, and processing oxygen pressure. The crystallinity and phases were characterized by grazing-incidence X-ray diffraction, and the strain and structural order as a function of depth were evaluated by angle-dependent synchrotron X-ray pair distribution function analysis. To evaluate the potential for interdiffusion, the formation energies of substitutional defects were simulated with density functional theory. Corresponding structural analysis and elemental mapping were performed by scanning/transmission electron microscopy, energy-dispersive X-ray spectroscopy, and electron energy-loss spectroscopy, indicating distinct nanoscale compositional regions with a hierarchical structure embedded in individual VANs columns and minimal interdiffusion across a bilayer film. Proton and oxygen surface exchange coefficients (k H , k O ) and polarization resistances were evaluated by electrical and optical relaxations and impedance spectroscopy of VAN-incorporated protonic ceramic electrochemical cells, respectively, at 400–500 °C, demonstrating values comparable to some of the best-known triple and mixed conductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Standoff Detection of Chemical Plumes Using Swept-ECQCL Remote Detection Technology: Results from EMRTC Complex Terrain Dual Tracer Experiment

As part of the Complex Terrain Dual Tracer Experiments performed in support of the LYNM program, a swept-wavelength external cavity quantum cascade laser (swept-ECQCL) remote detection system was deployed to measure chemical plume propagation with high temporal resolution. The swept-ECQCL remote detection technology was initially developed at PNNL, and is now under further development at Opticslah, LLC under SBIR funding from DOE (DOE SBIR Phase I Project DE-SC0019855, Remote Detection Technologies, Program Manager Chris Ramos). The swept-ECQCL technology provides a single-frequency infrared laser source which is rapidly scanned over a large wavelength range to measure the infrared absorption of gases, liquids, or solids. Analysis of the measured infrared absorption spectrum is used to detect, identify, and quantify the chemical species which are present. While most previous laser-based techniques used small wavelength tuning ranges to measure only a few isolated spectral lines of a few species, the swept-ECQCL provides the large tuning range needed to measure multiple species simultaneously, and to detect broad absorption features from large molecules or condensed phase materials. In addition, the swept-ECQCL systems have high enough spectral resolution and sensitivity to measure narrow lines of small molecules and determine isotope ratios. The remote detection system for gas plumes is based on the swept-ECQCL technology, and consists of a swept-ECQCL source, infrared detector, control electronics, and beam transmitting and alignment optics. The remote detection system directs the infrared output of the swept-ECQCL to a target retro reflector typically located at ~10-10,000 m distance. The swept-ECQCL wavelength is varied continuously over a large wavelength range (>1000 nm) at rates up to 1000 Hz. The swept ECQCL light reflected from the remote target is collected and focused onto an infrared photodetector. By measuring the detector signal continuously as the swept-ECQCL wavelength is varied, a time-series of absorption spectra are measured for the gases along the beam line of-sight. Based on analysis and fitting of the measured absorption spectra, the time-dependent chemical concentrations of species are determined. Multiple species and mixtures can be detected simultaneously, for all species with absorption features above the sensor noise floor. The sensor output is thus a continuous, high-speed record of identified chemicals along with their concentrations and isotope ratios of interest. The high-speed operation enables low-noise operation in conditions of atmospheric turbulence and allows tracking of fluctuating concentrations in transient chemical plumes as needed for reliable remote detection applications. All components operate with minimal cooling requirements and no cryogens are needed. In addition, the output infrared light is invisible with an intensity below the maximum permissible exposure (MPE) threshold of 100 mW/cm2 for these infrared wavelengths and thus eye safe. The measurement concept for plume detection using the swept-ECQCL remote detection system is as follows. The ECQCL beam is directed toward a remote retro-reflector, which reflects the beam back to the ECQCL system where it is focused onto an infrared photodetector. The line-of-sight from the ECQCL system to the retro-reflector defines the measurement path. The detected infrared signal is recorded continuously and detects the absorption of molecular species along the measurement path. Before a plume release, the system measures absorption from atmospheric constituents, which in this LWIR band consist primarily of lines from H 2 O and CO 2 , with additional weaker absorption from N 2 O, NH 3 , and O 3 possibly contributing. The system then measures any changes in absorption due to the tracer compounds when they enter the measurement path. The shape of absorption features is used to distinguish and identify the different tracer compounds, and the strength of the absorption is used to determine the path-integrated concentration – also called the column density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Correlated color temperature is not a suitable proxy for the biological potency of light

Using a simulation based on a real, five-channel tunable LED lighting system, we show that Correlated Color Temperature (CCT) is not a reasonable predictor of the biological potency of light, whether characterized with CIE melanopic Equivalent Daylight Illuminance (mel-EDI), Equivalent Melanopic Lux (EML) (a scalar multiple of mel-EDI), or Circadian Stimulus (CS). At a photopic corneal illuminance of 300 lx and Rf ≥ 70, spectra can vary in CS from 17 to 41% across CCTs from 2500 to 6000 K, and up to 23% at a single CCT, due to the choice of spectrum alone. The CS range is largest, and notably discontinuous, at a CCT of 3500 K, the location of the inflection point of the CS model. At a photopic corneal illuminance of 300 lx and Rf ≥ 70, mel-EDI can vary from 123 to 354 lx across CCTs from 2500 to 6000 K and can vary by up to 123 lx at a fixed CCT (e.g., 196 to 319 lx at 5000 K). The range of achievable mel-EDI increases as CCT increases and, on average, decreases as color fidelity, characterized with IES TM-30 Rf, increases. These data demonstrate that there is no easy mathematical conversion between CS and mel-EDI when a spectrally diverse spectra set of spectral power distributions is considered.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

The influence of laser power modulation on melt pool dynamics in laser powder bed fusion

While the majority of laser powder bed fusion (LPBF) metal additive manufacturing uses a continuous wave (CW) laser heat source, some commercial applications of LPBF additive manufacturing instead involve the modulation of the laser power on tens-of-microsecond timescales as an adjustable process variable. This article reports the use of in situ, high speed x-ray and optical imaging to probe melt pool fluid flow, defect formation, and nearby powder motion during LPBF with both modulated and CW laser heat sources. We observe melt pool dynamics unique to modulated laser melting even at very high duty cycles that are related to fluctuations in vapor depression depth, complex pore formation mechanisms, and changes to denudation physics when compared to CW melting. These behaviors are present in Ti–6Al–4V, 316L stainless steel, and AL1100 alloys but vary slightly as a function of material, indicating a substantial dependence on the viscosity and surface tension of the liquid metal. While high duty cycles produce weld tracks of comparable quality to CW melting, lower duty cycles introduce substantial defect concentrations. At intermediate duty cycles, careful control of modulation parameters can repeatably and precisely yield one pore per laser pulse, suggesting a method for intentionally inserting engineered porosity at specific sites during an LPBF build.

3D printing↗
DOE OSTI2021

Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory

Time-dependent orbital-free density functional theory is an efficient ab initio method for calculating the electronic dynamics of large systems. In comparison to standard time-dependent density functional theory, it computes only a single electronic state regardless of system size, but it requires an additional time-dependent Pauli potential term. Herein we propose a nonadiabatic and nonlocal Pauli potential whose main ingredients are the time-dependent particle and current densities. Our calculations of the optical spectra of metallic and semiconductor clusters indicate that nonlocal and nonadiabatic time-dependent orbital-free density functional theory performs accurately for metallic systems and semiquantitatively for semiconductors. This paper opens the door to wide applicability of time-dependent orbital-free density functional theory for nonequilibrium electron and electron-nuclear dynamics of complex materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗