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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Demonstrate Improved Ag Diffusion and Describe the Basis for Pd Penetration Modeling in SiC

In past work, an effective diffusivity coefficient was determined for Ag transport through the silicon carbide layer of a tristructural isotropic fuel particle. The effective diffusivity coefficient accounts for the microstructure of the silicon carbide and includes both bulk diffusion and grain boundary diffusion of Ag. In this report, the model has been improved by accounting for the enhanced concentration of vacancies in the bulk due to irradiation, which substantially influence bulk diffusivity at low temperatures. To improve the BISON model and make it fission rate dependent, effective diffusivity calculations have been performed that incorporate the radiation modified bulk diffusivity. The microstructure and irradiation-dependent effective diffusivity has also been implemented into BISON, and its predictions for Ag release from tristructural isotropic fuel have been successfully compared to AGR-1 post irradiation measurements. Moreover, a new feature has been developed in the Multiphysics Object-Oriented Simulation Environment (MOOSE) to account for different grain boundary types. The Ag diffusivity in 5 (210)/[001] grain boundaries has been computed and was found to be greater than in random high-angle grain boundaries. The presence of the fission product Pd can also have an important effect on the properties of the silicon carbide layer in tristructural isotropic particles. The penetration of Pd into the silicon carbide layer causes a corrosion reaction that can lead to the failure of the silicon carbide layer; however, this corrosion reaction is not well understood. To enable an improved understanding of the mechanism, ab-initio molecular dynamics simulations of Pd interaction with bulk silicon carbide have been performed. The improved understanding of the reaction will form a basis for future improvements to the BISON’s Pd penetration failure model

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Workability Characteristics and Deformation Mechanisms of Die-Cast AM60 and AZ91 Magnesium Alloys: Correlation with Processing Maps

Thermo-mechanical deformation behavior of the die-cast AM60 and AZ91 alloys was assessed by performing uniaxial compression tests on Gleeble 3800 simulator under different temperatures and strain rate conditions. Low-temperature deformation behavior of both alloys was accessed at 25, 100, and 150 °C, at the strain rates of 0.1 and 1 s{sup −1}. Processing maps at a true strain of 0.5 were generated to study the intrinsic hot workability of AM60 and AZ91 alloys. Optimum processing windows were identified, and the evolution of microstructures and textures was correlated with the imposed deformation conditions. The processing map for the AM60 alloy exhibited three dynamic recrystallization (DRX) domains in the ranges: (1) 320-400 °C and 0.2-1.5 s{sup −1}, (1A) 300-325 °C and 0.1-0.2 s{sup −1}, and (2) 360-400 °C and 3-5 s{sup −1}. In Domain 1, DRX occurred predominantly by pyramidal slip and recovery mechanisms by cross-slip as confirmed by the randomized textures. Deformation in Domain 1A is by the combination of basal and prismatic slip. In Domain 2, dynamic recovery was a softening mechanism controlled by the climb. The processing map for AZ91 alloy exhibited two DRX domains in the ranges: (1) 260-310 °C and 0.1-0.5 s{sup −1} and (2) 325-350 °C and 0.8-3 s{sup −1}. The rate-controlling mechanism was climb by lattice self-diffusion in Domain 1 and by grain boundary self-diffusion in Domain 2. Both alloys exhibited flow instability at 200 and 250 °C, and therefore, they were unsuitable for processing at these temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Creep anisotropy modeling and uncertainty quantification of an additively manufactured Ni-based superalloy

The advantages offered by additive manufacturing over traditional processes has driven a great deal of industrial and academic interest in recent years. However, the process is relatively new and requires additional investigation to become sufficiently mature for wide scale industrial adoption. Electron beam melting powder bed fusion is one technology that has shown promise for fabricating high temperature resistant materials such as nickel based superalloys. The resulting microstructures typically exhibit a strong fiber texture in the build direction giving rise to anisotropic time-dependent deformation behavior. In order to accelerate the qualification of these materials for industrial adoption accurate numerical models are needed for simulating their behavior. In this work a crystal plasticity model including non-Schmid effects is presented for capturing creep anisotropy observed in additively manufactured IN738LC. The model is calibrated via a probabilistic framework where model parameters are treated as random variables. An iterative sequential design strategy is utilized to efficiently identify the probability density of the unknown model parameters. As a case study the model is utilized to investigate the behavior of randomly oriented equiaxed grain clusters sometimes observed embedded in the additively manufactured columnar structure. A synthetic realization is simulated and uncertainty is propagated through to the full-field response. Results indicate that these features are the source of significant creep relaxation and strain accumulation which partially explains observed grain boundary decohesion at these locations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Characterization of microstructure and texture across dissimilar super duplex/austenitic stainless steel weldment joint by super duplex filler metal

In the present paper, microstructural changes across an as-welded dissimilar austenitic/duplex stainless steel couple welded by a super duplex stainless steel filler metal using gas tungsten arc welding process is characterized with optical microscopy and electron back-scattered diffraction techniques. Accordingly, variations of microstructure, texture, and grain boundary character distribution of base metals, heat affected zones, and weld metal were investigated. The results showed that the weld metal, which was composed of Widmanstätten austenite side-plates and allotriomorphic grain boundary austenite morphologies, had the weakest texture and was dominated by low angle boundaries. The welding process increased the ferrite content but decreased the texture intensity at the heat affected zone of the super duplex stainless steel base metal. In addition, through partial ferritization, it changed the morphology of elongated grains of the rolled microstructure to twinned partially transformed austenite plateaus scattered between ferrite textured colonies. However, the texture of the austenitic stainless steel heat affected zone was strengthened via encouraging recrystallization and formation of annealing twins. At both interfaces, an increase in the special character coincident site lattice boundaries of the primary phase as well as a strong texture with <100> orientation, mainly of Goss component, was observed. - Graphical abstract: Display Omitted - Highlights: • Weld metal showed local orientation at microscale but random texture at macroscale. • Intensification of <100> orientated grains was observed adjacent to the fusion lines. • The austenite texture was weaker than that of the ferrite in all duplex regions. • Welding caused twinned partially transformed austenites to form at SDSS HAZ. • At both interfaces, the ratio of special CSL boundaries of the primary phase increased.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Predicting the flow stress of Zircaloy-4 under in-reactor accident conditions - 2016-0075

During loss of coolant accident (LOCA) and reactivity-initiated accident (RIA), nuclear fuel rods experience high heating rates that change the microstructure and properties of zirconium cladding materials. The aim was to determine how different fast heating rates affect the kinetics of transformation and whether its consequences on the material yield stresses in the dual-phase region could be predicted. Phase fraction and texture of cold-rolled Zircaloy-4 were thus measured at fast heating rates similar to those experienced during LOCA and RIA by in-situ high-energy synchrotron x-ray diffraction; the yield stress was also measured at different heating rates to the same dual-phase temperature by electrical resistance method. Crystal plasticity finite element model was used to simulate the flow stresses with the inputs of the measured phase fraction and texture. The model is calibrated using the flow stress at the heating rate of 10 deg. Cs{sup -1} and used to predict the flow stress at the heating rate of 50 deg. Cs{sup -1} at the same temperature. A significant shift of the β transus temperature was identified for fast heating rates in the range of 10-100 deg. Cs{sup -1}. There is great similarity in texture at different heating rates. In the dual-phase temperature region, the a texture is almost identical to the starting texture and the β texture is nearly random. Yield stresses of cold-rolled Zircaloy-4 decrease at faster heating rate at the same temperature of 920 deg. C. A good agreement was found between the experimental and predicted flow stress at different heating rates, indicating this methodology has potential to be used to predict flow behavior in a fast transient regime. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2013

Growth and ferroelectric properties of sol–gel derived Bi(Mg 1/2 Zr 1/2 )O 3 –PbTiO 3 thin films

The electrical properties included temperature-dependent polarization of (1-x)Bi(Mg 1/2 Zr 1/2 )O 3 –xPbTiO 3 (BMZ–xPT) new ferroelectric films were investigated. The films with 220 nm thickness grown on Pt(111)/Ti/SiO 2 /Si substrates via sol–gel method were well crystallized with a phase-pure perovskite structure and homogeneous microstructure. Saturated polarization hysteresis loops are observed for all BMZ–xPT compounds, and BMZ–0.85PT films with high (100) orientation show a small leakage and remanent polarization of 36.1 μC cm -2 , which is comparable to the (100)-oriented BiScO 3 –PbTiO 3 thin films. The present films have high dielectric constants about 544-833. Furthermore, the polarization with elevated temperature slightly decreases, exhibiting stable ferroelectric properties and potentials for memory applications above room temperature such as non-volatile ferroelectric random access memories.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys

The interaction between point defects and dislocations plays a crucial role in governing material properties and microstructural evolutions under external stimuli, such as mechanical deformation and irradiation. Here, we present an atomistic study of the interactions between point defects and dislocations in concentrated solid-solution alloys (CSAs). Using molecular statics and kinetic Monte Carlo methods, we demonstrate that the strain energy and stress field distribution induced by a dislocation in CSAs are highly inhomogeneous along the dislocation line, which leads to heterogeneity of defect-dislocation interactions. Specifically, the interactions are spatially different and screened by the random arrangement of different elemental species. Furthermore, such localization of defect-dislocation interaction indicates that the “dislocation-bias” mechanism that is a driving force for radiation-induced void swelling can be suppressed in concentrated alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mechanical responses of 316L stainless steel printed by wire arc additive manufacturing with different thermal histories

In this paper, 316L stainless steel walls were printed using single-bead pass and multiple-bead pass wire arc additive manufacturing (WAAM), which represent the internal basket wall and external wall of a spent nuclear fuel (SNF) canister; respectively. Scanning electron microscopy (SEM) microstructure characterization and tensile tests at room temperature (21 °C) and elevated temperature (250 °C) were performed on specimens extracted along the length and height directions of the printed walls. Results showed that grain morphology, grain angles, and retained ferrite are different between the two printed walls, which received different heat input in WAAM. The single-bead pass printed wall exhibited higher yield strength than the multiple-bead pass printed wall because of more retained ferrite and larger portion of random-high angle boundaries (RHAB) grains.

Tang, Wei↗
DOE OSTI2018

Grain Boundary Characteristics of SiC in Irradiated, AGR-2 TRISO Particles

Microstructural characterization of the SiC layer was carried out on neutron irradiated, tristructural isotropic (TRISO) particles from the Advanced Gas Reactor (AGR)-2 experiment. The SiC grain boundary distribution in each particle was characterized with precession electron diffraction in the transmission electron microscope. Generally, the distributions in the AGR-2 TRISO particles (fabricated at the pilot scale by an industrial vendor) were similar to the Variant 3, AGR-1 TRISO particles made on a laboratory-scale at Oak Ridge National Laboratory. Slightly more random, high-angle grain boundaries in conjunction with slightly less low-angle grain boundaries were found in the AGR-2 TRISO particles compared to AGR-1 TRISO particles. Plotting the Ag-110m retention exhibited by both Variant 3 AGR-1 and AGR-2 irradiated TRISO particles against various grain boundary types revealed Ag retention correlate with the random, high-angle and twin grain boundary fraction in the center area of the SiC layer. Observations associated with localized areas of precipitation also will be reported in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Correlative characterization of primary particles formed in as-cast Al-Mg alloy containing a high level of Sc

Primary particles formed in as-cast Al-5Mg-0.6Sc alloy and their role in microstructure and mechanical properties of the alloy were investigated using optical microscopy (OM), scanning electron microscopy (SEM), electron back-scatter diffraction (EBSD) and tensile testing. It was found that primary particles due to a close orientation to matrix could serve as the potent heterogeneous nucleation sites for α-Al during solidification and thus impose a remarkable grain refinement effect. Eutectic structure consisted of layer by layer of ‘Al{sub 3}Sc + α-Al + Al{sub 3}Sc + ⋯’ and cellular-dendritic substructure were simultaneously observed at the particles inside, indicating that these particles could be identified as the eutectics rather than individual Al{sub 3}Sc phase. A calculating method, based on EBSD results, was introduced for the spatial distribution of these particles in matrix. The results showed that these eutectic particles randomly distributed in matrix. In addition, the formation of primary eutectic particles significant improved the strength of the Al-Mg alloy in as-cast condition, which is ascribed to the structural evolution from coarse dendrites to prefect fine equiaxed grains. On the other hand, these large-sized particles due to the tendency to act as the microcrack sources could cause a harmful effect in the ductility of Al-Mg-Sc alloy. - Highlights: •Primary particles exhibit an ‘Al{sub 3}Sc + α-Al + Al{sub 3}Sc + ⋯’ multilayer feature with a cellular-dendritic mode of growth. •EBSD analyses the mechanism of grain refinement and the distribution of primary particles in α-Al matrix. •A computational method was presented to calculate the habit planes of primary particles.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Value of Formalin Fixation for the Prolonged Preservation of Rodent Myocardial Microanatomical Organization: Evidence by MR Diffusion Tensor Imaging

Previous ex vivo diffusion tensor imaging (DTI) studies on formalin-fixed myocardial tissue assumed that, after some initial changes in the first 48 hr since the start of fixation, DTI parameters remain stable over time. Prolonged preservation of cardiac tissue in formalin prior to imaging has been seen many times in the DTI literature as it is considered orderly. Here, our objective is to define the effects of the prolonged cardiac tissue exposure to formalin on tissue microanatomical organization, as this is assessed by DTI parameters. DTI experiments were conducted on eight excised rodent hearts that were fixed by immersion in formalin. The samples were randomly divided into two equinumerous groups corresponding to shorter (~2 weeks) and more prolonged (~6–8 weeks) durations of tissue exposure to formalin prior to imaging. We found that when the duration of cardiac tissue exposure to formalin before imaging increased, water diffusion became less restricted, helix angle (HA) histograms flattened out and exhibited heavier tails (even though the classic HA transmural variation was preserved), and a significant loss of inter-voxel primary diffusion orientation integrity was introduced. The prolonged preservation of cardiac tissue in formalin profoundly affected its microstructural organization, as this was assessed by DTI parameters. The accurate interpretation of diffusivity profiles necessitates awareness of the pitfalls of prolonged cardiac tissue exposure duration to formalin. The acquired knowledge works to the advantage of a proper experimental design of DTI studies of fixed hearts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Effect of Ce{sup 3+} Ion on Structural and Hyperfine Interaction Studies of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2−x}Ce{sub x}O{sub 4} Ferrites: Useful for Permanent Magnet Applications

Nanoparticles of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2−x}Ce{sub x}O{sub 4} (where x = 0.0, 0.01, 0.015 and 0.02) ferrites are prepared by the modified solution combustion method using a mixture of fuels and are characterized to understand their structural, microstructural and magnetic properties. The X-ray diffraction is used to confirm the formation of a single-phase cubic spinel structure. The average crystallite sizes are calculated using the Scherrer formula and are found to be less than 50 nm. The microstructural features are obtained by the scanning electron microscopy, and the compositional analysis is done by using the energy-dispersive spectroscopy. The transmission electron microscopy (TEM) investigations show that the synthesized ferrites are made up of very fine spherical nanoparticles. The influence of a rare-earth element (Ce{sup 3+}) on the magnetic properties of the samples was studied using the Mössbauer spectroscopy. The Mössbauer spectroscopy reveals the formation of broadened Zeeman lines and quadrupole-split lines and the presence of the Fe{sup 3+} charge state at B sites in the samples. The quadrupole splitting shows that the orientation of the magnetic hyperfine field with respect to the principle axes of the electric field gradient was random. The magnetic hyperfine field values indicate that the A sites have more A-O-B superexchange interactions than the B sites. The coexistence of magnetic sextet and a doublet component on the room-temperature spectra suggests superparamagnetic properties of the nanoparticles. The low-temperature (15 K) Mössbauer spectroscopy explores the paramagnetic relaxation in the nanoparticles. The area under the sextet refers to Fe{sup 3+} concentrations in the tetrahedral and octahedral sites of the ferrite. This study confirms that the Ce{sup 3+} substitution of Fe{sup 3+} only for octahedron sites causes the decrease in Fe-O-Fe arrangement. The effect of Ce{sup 3+} doping on the magnetic properties of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} is examined from the vibrating sample magnetometry (VSM) spectra. Saturation magnetization values are decreased initially and then increased, as result of Ce{sup 3+} doping. This can be explained by Neel’s two-sub-lattice model. Further, the value of coercivity is found to be increasing with increasing Ce{sup 3+} concentration. The obtained results of M-H loop with improved coercivity (from 851 to 1039 Oe) by Ce{sup 3+} doping of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} demonstrate the usefulness for permanent magnet applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Melt extruded versus extrusion compression molded glass-polypropylene long fiber thermoplastic composites

Long fiber thermoplastic (LFT) composites are processed either with extrusion compression or fiber injection processes. The properties of LFT materials are highly influenced by processing techniques, which lead to different porosity contents, fiber length distributions, and fiber orientation distributions. It is important to understand the various LFT processing techniques and their effects on mechanical, thermal, and microscopic properties. This work considered LFT sheets processed via extrusion, which offers highly aligned fibers (referred to as “Tecnogor composites”), and LFT composites produced via extrusion compression molding (ECM), which offers a random distribution of fibers. Tecnogor composites exhibited higher flexural strength (35–65%), flexural modulus (132–172%), tensile strength (39–52%), tensile modulus (67–75%), and Izod impact resistance (195–220%) than the random LFT composites. This response was attributed to the aligned fibers in Tecnogor composites. Mathematical models including Halpin-Tsai and Lavengood-Goettler were used to predict and compare the Young’s modulus of Tecnogor and ECM composites, respectively.

mechanical testing↗
DOE OSTI2018

Study on the Microstructure, Mechanical Properties and Corrosion Behavior of Mg-Zn-Ca Alloy Wire for Biomaterial Application

Due to their excellent biocompatibility and biodegradability, magnesium alloy wires have attracted much attention for biomaterial applications including orthopedic K-wires and sutures in wound closure. In this study, Mg-3Zn-0.2Ca alloy wires were prepared by cold drawing combined with proper intermediate annealing process. Microstructures, texture, mechanical properties and corrosion behavior of Mg-3Zn-0.2Ca alloy wire in a simulated body fluid were investigated. The results showed that the secondary phase and average grain size of the Mg-3Zn-0.2Ca alloy were refined in comparison with the as-extruded alloy and a strong (0002)<10-10>//DD basal fiber texture system was formed after multi-pass cold drawing. After the annealing, most of the basal planes were tilted to the drawing direction (DD) by about 35°, presenting the characteristics of random texture, and the texture intensity decreased. The as-annealed wire shows good mechanical properties with the ultimate tensile strength (UTS), yield strength (YS) and elongation of 253 ± 8.5 MPa, 212 ± 11.3 MPa and 9.2 ± 0.9%, respectively. Electrochemical and hydrogen evolution measurements showed that the corrosion resistance of the Mg-3Zn-0.2Ca alloy wire was improved after the annealing. The immersion test indicated that the Mg-3Zn-0.2Ca wire exhibited uniform corrosion behavior during the initial period of immersion, but then exhibited local corrosion behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Predicting for thermodynamic instabilities in water/oil/surfactant microemulsions: A mesoscopic modelling approach

The thermodynamics and structural properties of flexible and rigid nonionic water/oil/surfactant microemulsions have been investigated using a two level-cut Gaussian random field method based on the Helfrich formalism. Ternary stability diagrams and scattering spectra have been calculated for different surfactant rigidities and spontaneous curvatures. A more important contribution of the Gaussian elastic constants compared to the bending one is observed on the ternary stability diagrams. Furthermore, influence of the spontaneous curvature of the surfactant points out a displacement of the instability domains which corresponds to the difference between the spontaneous and effective curvatures. We enlighten that a continuous transition from a connected water in oil droplets to a frustrated locally lamellar (oil in water in oil droplets) microstructure is found to occur when increasing the temperature for an oil-rich microemulsion. This continuous transition translated in a shift in the scattering functions, points out that the phase inversion phenomenon occurs by a coalescence of the water droplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Automated detection of vessel lumen and stent struts in intravascular optical coherence tomography to evaluate stent apposition and neointimal coverage

Purpose: Intravascular optical coherence tomography (IV-OCT) is a high-resolution imaging method used to visualize the microstructure of arterial walls in vivo. IV-OCT enables the clinician to clearly observe and accurately measure stent apposition and neointimal coverage of coronary stents, which are associated with side effects such as in-stent thrombosis. In this study, the authors present an algorithm for quantifying stent apposition and neointimal coverage by automatically detecting lumen contours and stent struts in IV-OCT images. Methods: The algorithm utilizes OCT intensity images and their first and second gradient images along the axial direction to detect lumen contours and stent strut candidates. These stent strut candidates are classified into true and false stent struts based on their features, using an artificial neural network with one hidden layer and ten nodes. After segmentation, either the protrusion distance (PD) or neointimal thickness (NT) for each strut is measured automatically. In randomly selected image sets covering a large variety of clinical scenarios, the results of the algorithm were compared to those of manual segmentation by IV-OCT readers. Results: Stent strut detection showed a 96.5% positive predictive value and a 92.9% true positive rate. In addition, case-by-case validation also showed comparable accuracy for most cases. High correlation coefficients (R > 0.99) were observed for PD and NT between the algorithmic and the manual results, showing little bias (0.20 and 0.46 μm, respectively) and a narrow range of limits of agreement (36 and 54 μm, respectively). In addition, the algorithm worked well in various clinical scenarios and even in cases with a low level of stent malapposition and neointimal coverage. Conclusions: The presented automatic algorithm enables robust and fast detection of lumen contours and stent struts and provides quantitative measurements of PD and NT. In addition, the algorithm was validated using various clinical cases to demonstrate its reliability. Therefore, this technique can be effectively utilized for clinical trials on stent-related side effects, including in-stent thrombosis and in-stent restenosis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Boron site preference in ternary Ta and Nb boron silicides

X-ray single crystal (XSC) and neutron powder diffraction data (NPD) were used to elucidate boron site preference for five ternary phases. Ta{sub 3}Si{sub 1-x}B{sub x} (x=0.112(4)) crystallizes with the Ti{sub 3}P-type (space group P4{sub 2}/n) with B-atoms sharing the 8g site with Si atoms. Ta{sub 5}Si{sub 3-x} (x=0.03(1); Cr{sub 5}B{sub 3}- type) crystallizes with space group I4/mcm, exhibiting a small amount of vacancies on the 4a site. Both, Ta{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.568(3), and Nb{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.59(2), are part of solid solutions of M{sub 5}Si{sub 3} with Cr{sub 5}B{sub 3}-type into the ternary M-Si-B systems (M=Nb or Ta) with B replacing Si on the 8h site. The D8{sub 8}-phase in the Nb-Si-B system crystallizes with the Ti{sub 5}Ga{sub 4}-type revealing the formula Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292(3)) with B partially filling the voids in the 2b site of the Mn{sub 5}Si{sub 3} parent type. - Graphical abstract: The crystal structures of a series of compounds have been solved from X-ray single crystal diffractometry revealing details on the boron incorporation. Highlights: Black-Right-Pointing-Pointer Structure of a series of compounds have been solved by X-ray single crystal diffractometry. Black-Right-Pointing-Pointer Ta{sub 3}(Si{sub 1-x}B{sub x}) (x=0.112) crystallizes with the Ti{sub 3}P-type, B and Si atoms randomly share the 8g site. Black-Right-Pointing-Pointer Structure of Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292; Ti{sub 5}Ga{sub 4}-type) was solved from NPD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗