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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Strength and thermal shock resistance of porous reaction-bonded silicon nitride by direct nitriding of binder jet additively manufactured silicon

The direct nitridation of binder jet additively manufactured silicon to produce porous silicon nitride was explored. The Taguchi Design of Experiments method was used to systematically study the effect of time, temperature, and nitrogen flow rate on the direct nitriding of binder jet additively manufactured silicon to produce porous reaction-bonded silicon nitride (RBSN). Highly porous (61%) samples with high conversion (99%) to silicon nitride were achieved using a thermal profile that utilized two isothermal holds. Further, it was shown that these samples exhibited thermal shock resistance and a low coefficient of thermal expansion. These results indicate that RBSN is readily achievable through additive manufacturing.

Ceramics↗
DOE OSTI2026

Part-scale evolution of fine-scale microstructural heterogeneity in solid-state additive manufacturing

Current solid-state additive manufacturing methods, refined through costly and time-consuming trial and error, have spurred interest in computational models that replicate material behavior under typical thermomechanical conditions (e.g., strain-rate ~ 102 s−1). These models, however, struggle to capture time-dependent microstructural evolution. In this work, Additive Friction-Stir Deposition (AFSD) is used as a representative case study for part-scale quantification of microstructure evolution at a fine spatial resolution (200 μm) by examining a liquid-nitrogen-cooled stop-action build via energy-dispersive X-ray diffraction coupled with a multi-channel detector. These results inform modeling efforts by linking process asymmetry to stored plastic strain, residual elastic strain, and texture development, and unlike current state-of-the-art characterization methods (e.g., EBSD or neutron diffraction), this approach provides both the spatial resolution and collection efficiency necessary to quantify fine-scale microstructural heterogeneity over large component volumes. As such, this technique provides essential validation data for computational models, e.g., crystal plasticity, enabling future prediction of heterogeneous behavior in AFSD and other additive manufacturing processes.

Franz, Cole [ORNL] (ORCID:0000000213465881)↗
DOE OSTI2015

A synchrotron study of microstructure gradient in laser additively formed epitaxial Ni-based superalloy

Laser additive forming is considered to be one of the promising techniques to repair single crystal Ni-based superalloy parts to extend their life and reduce the cost. Preservation of the single crystalline nature and prevention of thermal mechanical failure are two of the most essential issues for the application of this technique. Here we employ synchrotron X-ray microdiffraction to evaluate the quality in terms of crystal orientation and defect distribution of a Ni-based superalloy DZ125L directly formed by a laser additive process rooted from a single crystalline substrate of the same material. We show that a disorientation gradient caused by a high density of geometrically necessary dislocations and resultant subgrains exists in the interfacial region between the epitaxial and stray grains. This creates a potential relationship of stray grain formation and defect accumulation. In conclusion, the observation offers new directions on the study of performance control and reliability of the laser additive manufactured superalloys.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Big area additive manufacturing of high performance bonded NdFeB magnets

Additive manufacturing allows for the production of complex parts with minimum material waste, offering an effective technique for fabricating permanent magnets which frequently involve critical rare earth elements. In this report, we demonstrate a novel method - Big Area Additive Manufacturing (BAAM) - to fabricate isotropic near-net-shape NdFeB bonded magnets with magnetic and mechanical properties comparable or better than those of traditional injection molded magnets. The starting polymer magnet composite pellets consist of 65 vol% isotropic NdFeB powder and 35 vol% polyamide (Nylon-12). The density of the final BAAM magnet product reached 4.8 g/cm3, and the room temperature magnetic properties are: intrinsic coercivity Hci = 688.4 kA/m, remanence B r = 0.51 T, and energy product (BH) max = 43.49 kJ/m 3 (5.47 MGOe). In addition, tensile tests performed on four dog-bone shaped specimens yielded an average ultimate tensile strength of 6.60 MPa and an average failure strain of 4.18%. Scanning electron microscopy images of the fracture surfaces indicate that the failure is primarily related to the debonding of the magnetic particles from the polymer binder. As a result, the present method significantly simplifies manufacturing of near-net-shape bonded magnets, enables efficient use of rare earth elements thus contributing towards enriching the supply of critical materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Additive solution deposition of multi-layered semiconducting polymer films for design of sophisticated device architectures

Many organic electronic devices require vertically layered structures to operate. This manuscript demonstrates an additive solution process for depositing multiple layers of semiconducting polymer (SP) films by controlling film solubility with molecular dopants. During multi-layer deposition the bottom layers are exposed to a series of solvent environments that swell the SP films. We use neutron reflectometry (NR) to quantify the film thickness change and solvent content during solvent exposure in a single poly-3-hexylthiophene (P3HT) layer. The film thickness increases by 40–80% with exposure to good solvents. Four layer thin-films composed of alternating protonated and deuterated P3HT layers were additively coated from solution. NR measurements reveal high individual layer purity and that extensive solvent soaking induces no mixing between layers. Lastly, two-point conductivity measurements demonstrate that P3HT:P3HT layer interfaces have no effect on vertical conductivity. This facile process enables additive layering of mutually soluble SP films and can be used to design novel electronic device architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The addition of methanol to Criegee intermediates

Bimolecular reactions involving stabilized Criegee intermediates (SCI) have been the target of many studies due to the role these molecules play in atmospheric chemistry. Recently, kinetic rates for the addition reaction of the simplest SCI (formaldehyde oxide) and its methylated analogue (acetone oxide) with methanol were reported both experimentally and theoretically. We re-examine the energy profile of these reactions by employing rigorous ab initio methods. Optimized CCSD(T)/ANO1 geometries are reported for the stationary points along the reaction path. Energies are obtained at the CCSD(T)/CBS level of theory. Contributions of full triple and quadruple excitations are computed to assess the convergence of this method. Rate constants are obtained using conventional canonical transition state theory under the rigid rotor harmonic oscillator approximation and with the inclusion of a one-dimensional hindered rotor treatment. These corrections for internal rotations have a significant impact on computed kinetic rate constants. With this approach, we compute rate constants for the addition of methanol to formaldehyde oxide (H 2 COO) and acetone oxide [(CH 3 ) 2 COO] at 298.15 K as (1.2 ± 0.8) × 10 -13 and (2.8 ± 1.3) × 10 -15 cm 3 s -1 , respectively. Additionally, we investigate the temperature dependence of the rate constant, concluding that the transition state barrier height and tunneling contributions shape the qualitative behaviour of these reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Solvent oligomerization pathways facilitated by electrolyte additives during solid-electrolyte interphase formation

The solid–electrolyte interphase (SEI) layer formation is known to play an important role in determining the lifetime of lithium-ion batteries. A thin, stable SEI layer is linked to overall improved battery performance and longevity, however, the factors and mechanisms that lead to optimal SEI morphology and composition are not well understood. Inclusion of electrolyte additives (fluoroethylene carbonate, FEC; and vinylene carbonate, VC) is often necessary for improving SEI characteristics. To understand how these electrolyte additives impact SEI formation, we employed molecular dynamics (MD) and density functional theory (DFT) simulations to study the reaction networks and oligomerization pathways, respectively, for three systems containing ethylene carbonate (EC), a lithium ion, and FEC or VC. MD simulations suggest radical oligomerization pathways analogous to traditional oligomerization with nucleophilic alkoxide species via SN1 reaction mechanisms. Both S N 1 and S N 2 mechanisms were studied for all three systems using DFT. Oligomerization reactions were studied with both a standard alkoxide species and a ring-opened EC radical as the nucleophiles and EC, FEC, and VC as the electrophiles. For all cases, FEC and VC exhibited lower free energy barriers and more stable adducts when compared with EC. We conclude that one of the role of additives is to modify the oligomerization process of EC by introducing branching points (FEC) or termination points (VC).

25 ENERGY STORAGE↗
DOE OSTI2020

Integrated linker-regulation and ring-fusion engineering for efficient additive-free non-fullerene organic solar cells

The rational molecular design and structural modification of quasi-two-dimensional fused perylene diimide (quasi-2D FPDI) acceptors have received growing attention for application in non-fullerene organic solar cells (NF-OSCs). Herein, we designed and synthesized two pairs of FPDI acceptors, one in the form of FPDI–π-bridge–FPDI with the π-bridge being either an axisymmetric thiophene (T) or a centrosymmetric thienothiophene (TT) unit, and the other being the corresponding ring-fusion counterpart. Additionally, four small molecule acceptors, namely T-FPDI, TT-FPDI, FT-FPDI and FTT-FPDI, were paired with a common PTB7-Th polymeric electron donor as active materials for a comparative study of the effects of linkers and ring fusion on their photovoltaic performances. The T-FPDI-based NF-OSC exhibited a decent power conversion efficiency (PCE) of 5.50%, while a higher PCE of 7.17% with a simultaneous enhancement in the open circuit voltage ( V oc ), the short-circuit current density ( J sc ) and the fill factor (FF) was achieved for the TT-FPDI-based solar cells. The solar cells based on the ring-fused FT-FPDI and FTT-FPDI acceptors displayed PCEs of 6.75% and 7.66%, respectively, both higher than those of the corresponding non-fused counterparts. Notably, the trade-off between the J sc and V oc , commonly observed in fullerene OSCs, is alleviated in these systems. It is also worth noting that the NF-OSCs based on these FPDI acceptors do not need any solvent additives. Overall, this successful molecular engineering based on novel quasi-2D FPDI building blocks may inspire the development of emergent electron acceptors for high performance additive-free NF-OSCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Simulation of MLI concerning the influence of an additional heat load on intermediate layers

Multilayer insulation (MLI) is commonly used in most cryogenic devices such as LHe cryostats or storage vessels. Numerical and experimental studies of such insulation systems are known from literature. The temperature distribution of intermediate layers has been investigated as well. Experiments using temperature sensors, for example thermocouples, to determine the temperature of intermediate layers had been described. Naturally such wiring causes additional heat load on the respective layer and influences the equilibrium temperature. A mathematical model of heat transfer through MLI has been developed to investigate the temperature distribution across the MLI layers. The model comprises a combination of radiation, residual gas conduction and conductive heat flux. An analysis for variable cold and warm boundary temperatures and various residual gases and pressures is carried out. In addition to the model an experimental test rig will be built for the verification of the model. The paper presents the influence of an additional heat load on an intermediate layer on the temperature distribution and on the overall thermal performance of MLI.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Effect of Ag addition to L1{sub 0} FePt and L1{sub 0} FePd films grown by molecular beam epitaxy

L1{sub 0} ordered FePt-Ag (5 nm) and FePd-Ag (5 nm) films were grown on MgO (001) substrate at temperatures of 250–400 °C by using molecular beam epitaxy method, and their crystal and surface structures, perpendicular magnetic anisotropies and Curie temperatures were investigated. In the case of FePt-Ag, Ag addition with the amount of 10–20 at. % was effective to promote L1{sub 0} ordering and granular growth, resulting in the increase of the perpendicular magnetic anisotropy and coercivity of the FePt-Ag films. On the other hand, in the case of FePd-Ag, Ag addition changed the surface morphology from island to continuous film associated with the reductions of its coercivity and perpendicular anisotropy. The variations of lattice constants and Curie temperature with Ag addition were significantly different between FePt-Ag and FePd-Ag. For FePd-Ag, the c and a axes lattice spacings and Curie temperature gradually changed with increasing Ag content, while they unchanged for FePt-Ag. These results suggest the possibility of the formation of FePdAg alloy in FePd-Ag, while Ag segregation in FePt-Ag.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Origin of additional spectral features in modulated reflectance spectra of 2-dimensional semiconductor systems

High resolution photoreflectance (PR) spectroscopy study on a single GaAs/AlGaAs quantum well representing a two-dimensional (2D) system, shows additional distinct spectral features on the high energy side of the first confined heavy-hole and light-hole exciton transitions. The PR experiments involved a special dual detection technique which significantly improved the measurement sensitivity. Photoluminescence excitation spectroscopy data on the sample showed broadened step-like features around these energies. A detailed lineshape analysis, including first principles simulations, was performed to understand the origins of these additional PR spectral features. They are shown to arise primarily from inhomogeneously broadened first excited state transition of the excitons, rather than from a change in the joint density of states at the exciton continuum edge. The analysis suggests that such features are more likely in the case of 2D excitons as compared to 3D excitons in bulk material. Apart from its significance for post-growth characterization, identification of these additional PR features enables direct estimation of the exciton binding energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Connectivity and critical current density of in-situ processed MgB{sub 2} superconductors: Effect of excess Mg and non-carbon based additives

In a sequel to our previous paper (J. Appl. Phys. 113, 036908 (2013)), where we reported comprehensive analysis of inter-grain connectivity (A{sub F}), pinning, percolation threshold (P{sub c}), and anisotropy (γ) in a series of ex-situ processed MgB{sub 2}, we address the same issues in in-situ processed samples. MgB{sub 2} samples with stoichiometric composition, excess Mg (5 wt. %) and further 3 wt. % addition of various non-carbon based additives like nano-Ag, nano-Ni, and YBCO are synthesised by the in-situ route. Detailed investigations of X-ray diffraction, magnetization (M), and resistivity (ρ) as a function of temperature (T) and field (B) in the range 5–300 K and 0–8 T are carried out in all the samples. The resistive superconducting onset T{sub con} ∼ 38.6 ± 0.3 K and offset (where ρ goes to zero) T{sub c0} ∼ 38.1 ± 0.3 K of the samples stay nearly unchanged. The inter-grain connectivity (A{sub F}) of the samples varies between 11%–20%. All the additives result in a critical current density (J{sub c}) higher than the stoichiometric MgB{sub 2} sample, where the highest values (e.g., J{sub c}(1 T, 5 K) ∼ 1.2 × 10{sup 9} A/m{sup 2}) are observed for the sample with 5 wt. % excess Mg. The major findings based on quantitative analysis of ρ (T, B) and J{sub c} (B, T) data in all the samples are: (1) along with previously studied ex-situ samples, the J{sub c}(A{sub F}) shows a significant increase at A{sub F} ∼ 7%; (2) the irreversibility lines lie lower than the characteristic T{sub c0}(B) lines in the B-T phase diagram; (3) a universal core pinning (δl- and/or δT{sub c}- type) mechanism is revealed in the entire T range 5–30 K; and (4) typical values of P{sub c} ∼ 0.57 ± 0.04 is indicative of weak link networks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of argon addition on plasma parameters and dust charging in hydrogen plasma

Experimental results on effect of adding argon gas to hydrogen plasma in a multi-cusp dusty plasma device are reported. Addition of argon modifies plasma density, electron temperature, degree of hydrogen dissociation, dust current as well as dust charge. From the dust charging profile, it is observed that the dust current and dust charge decrease significantly up to 40% addition of argon flow rate in hydrogen plasma. But beyond 40% of argon flow rate, the changes in dust current and dust charge are insignificant. Results show that the addition of argon to hydrogen plasma in a dusty plasma device can be used as a tool to control the dust charging in a low pressure dusty plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Monitoring system for the quality assessment in additive manufacturing

Additive Manufacturing (AM) refers to a process by which a set of digital data -representing a certain complex 3dim design - is used to grow the respective 3dim real structure equal to the corresponding design. For the powder-based EOS manufacturing process a variety of plastic and metal materials can be used. Thereby, AM is in many aspects a very powerful tool as it can help to overcome particular limitations in conventional manufacturing. AM enables more freedom of design, complex, hollow and/or lightweight structures as well as product individualisation and functional integration. As such it is a promising approach with respect to the future design and manufacturing of complex 3dim structures. On the other hand, it certainly calls for new methods and standards in view of quality assessment. In particular, when utilizing AM for the design of complex parts used in aviation and aerospace technologies, appropriate monitoring systems are mandatory. In this respect, recently, sustainable progress has been accomplished by joining the common efforts and concerns of a manufacturer Additive Manufacturing systems and respective materials (EOS), along with those of an operator of such systems (MTU Aero Engines) and experienced application engineers (Carl Metrology), using decent know how in the field of optical and infrared methods regarding non-destructive-examination (NDE). The newly developed technology is best described by a high-resolution layer by layer inspection technique, which allows for a 3D tomography-analysis of the complex part at any time during the manufacturing process. Thereby, inspection costs are kept rather low by using smart image-processing methods as well as CMOS sensors instead of infrared detectors. Moreover, results from conventional physical metallurgy may easily be correlated with the predictive results of the monitoring system which not only allows for improvements of the AM monitoring system, but finally leads to an optimisation of the quality and insurance of material security of the complex structure being manufactured. Both, our poster and our oral presentation will explain the data flow between the above mentioned parties involved. A suitable monitoring system for Additive Manufacturing will be introduced, along with a presentation of the respective high resolution data acquisition, as well as the image processing and the data analysis allowing for a precise control of the 3dim growth-process.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Complex additive systems for Mn-Zn ferrites with low power loss

Mn-Zn ferrites were prepared via an oxalate-based wet-chemical synthesis process. Nanocrystalline ferrite powders with particle size of 50 nm were sintered at 1150 °C with 500 ppm CaO and 100 ppm SiO{sub 2} as standard additives. A fine-grained, dense microstructure with grain size of 4–5 μm was obtained. Simultaneous addition of Nb{sub 2}O{sub 5}, ZrO{sub 2}, V{sub 2}O{sub 5}, and SnO{sub 2} results low power losses, e.g., 65 mW/cm{sup 3} (500 kHz, 50 mT, 80 °C) and 55 mW/cm{sup 3} (1 MHz, 25 mT, 80 °C). Loss analysis shows that eddy current and residual losses were minimized through formation of insulating grain boundary phases, which is confirmed by transmission electron microscopy. Addition of SnO{sub 2} increases the ferrous ion concentration and affects anisotropy as reflected in permeability measurements μ(T)

36 MATERIALS SCIENCE↗
DOE OSTI2023

Growth and passivation of individual carbon nanoparticles by C2H2 addition at high temperatures: Dependence of growth rate and evolution on material and size

Absolute kinetics for reactions of C2H2 with a series of ∼60 individual carbon nanoparticles (NPs) from graphite, graphene, graphene oxide, carbon black, diamond, and nano-onion feedstocks were measured for temperatures (TNP) ranging from 1200 to 1700 K. All the NPs were observed to gain mass by carbon addition under conditions that varied with feedstock but with large variations in initial growth rate. Long reaction periods were studied to allow the evolution of growth rates over time to be observed. Diamond NPs were found to passivate against C2H2 addition if heated above ∼1400 K, and the highly variable initial reactivity for carbon nano-onions was found to depend on the presence of non-onion-structure surface carbon. For graphitic and carbon black NPs, three distinct growth modes were observed, correlated with the initial NP mass (Minitial). Smallest graphitic and carbon black NPs, with masses <∼25 MDa, initially grew rapidly but also passivated quickly after adding <4% of Minitial. NPs in the 20–50 MDa range also passivated but only after multiple waves of fast growth separated by periods of low reactivity, with up to ∼11% total mass gain before passivation. The largest carbon black and graphitic NPs, with Minitial >50 MDa, grew rapidly and continuously, adding up to ∼300% of Minitial with no sign of rate slowing as long as C2H2 was present. The efficiencies for C2H2 addition and etching by O2 are strongly correlated, but the correlation changes as the NPs passivate. Growth and passivation mechanisms are discussed.

Chemistry↗
DOE OSTI2026

Influence of minor Ce additions on magnetic and electrical properties in Fe–6.5 wt. % Si alloy

Fe–6.5 wt. % Si alloys exhibit lower core loss at higher frequency than the dominating electrical steel containing 3.2% Si due to its lower magneto-crystalline anisotropy energy (MAE) and higher electrical resistivity. However, compared to nanocrystalline and amorphous soft-magnetic materials, 6.5% Si steel, although being cost effective and having high saturation magnetization, still has much to improve, especially with respect to MAE and resistivity. To explore further improvement, the effects of minor Ce additions (due to its mixed valence 4f-electron configuration) on the microstructure, electrical and magnetic behaviors of Fe–6.5 wt. % Si alloys were investigated. Due to its limited solubility in Fe, Ce exhibits condition-dependent effects on electrical resistivity, showing only marginal improvement under rapid solidification. In contrast, Ce addition degrades magnetic performance, reducing saturation magnetization (from 1.86 to 1.76 T) and increasing coercivity (from 88 to 171 A/m), which results in an 83.4% increase in core loss (W 10/1000 condition). Overall, Ce addition provides limited benefit in electrical resistivity while deteriorating magnetic properties, making it ineffective for enhancing the soft magnetic performance of Fe–6.5 wt. % Si alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2015

CBR antimicrobials inhibit RNA polymerase via at least two bridge-helix cap-mediated effects on nucleotide addition

RNA polymerase inhibitors like the CBR class that target the enzyme’s complex catalytic center are attractive leads for new antimicrobials. The catalysis by RNA polymerase involves multiple rearrangements of bridge helix, trigger loop, and active-center side chains that isomerize the triphosphate of bound NTP and two Mg 2+ ions from a preinsertion state to a reactive configuration. CBR inhibitors target a crevice between the N-terminal portion of the bridge helix and a surrounding cap region within which the bridge helix is thought to rearrange during the nucleotide addition cycle. Here, we report crystal structures of CBR inhibitor/Escherichia coli RNA polymerase complexes as well as biochemical tests that establish two distinct effects of the inhibitors on the RNA polymerase catalytic site. One effect involves inhibition of trigger-loop folding via the F loop in the cap, which affects both nucleotide addition and hydrolysis of 3'-terminal dinucleotides in certain backtracked complexes. The second effect is trigger-loop independent, affects only nucleotide addition and pyrophosphorolysis, and may involve inhibition of bridge-helix movements that facilitate reactive triphosphate alignment.

59 BASIC BIOLOGICAL SCIENCES↗