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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Predicting fracture behavior in single crystal nickel using a coupled crystal plasticity phase field damage approach

Understanding the fracture behavior of single crystal metals is critical for predicting material performance under mechanical loading. Here, in this study, we investigate the fracture characteristics of single crystal nickel tensile bars using a crystal plasticity coupled phase field damage (CP-PFD) model. Experimental tensile tests were conducted on 15 specimens spanning five crystallographic orientations and three thickness variants per orientation. The results revealed two distinct fracture modes: brittle fractures with 45-degree angled surfaces and ductile fractures characterized by significant necking. The CP-PFD model successfully replicated these fracture behaviors, demonstrating strong agreement with experimental observations. The model effectively predicted the strain at which necking and fracture occurred, as well as the orientation-dependent fracture mechanisms. By comparing experimental and simulated fracture surfaces, we establish the CP-PFD model as a robust tool for predicting single crystal behavior and damage evolution. This work provides insight into the microstructural dependence of fracture behavior and establishes a predictive framework for modeling orientation-dependent damage evolution in single-crystal nickel.

Crystal plasticity↗
NASA NTRS1980

Anisotropy of nickel-base superalloy single crystals

The effects of crystal orientation on the mechanical properties of single crystals of the nickel-based superalloy Mar-M247 are investigated. Tensile tests at temperatures from 23 to 1093 C and stress rupture tests at temperatures from 760 to 1038 C were performed for 52 single crystals at various orientations. During tensile testing between 23 and 760 C, single crystals with high Schmid factors were found to be favorably oriented for slip and to exhibit lower strength and higher ductility than those with low Schmid factors. Crystals which required large rotations to become oriented for cross slip were observed to have the shortest stress rupture lives at 760 C, while those which required little or no rotation had the longest lives. In addition, stereographic triangles obtained for Mar-M247 and Mar-M200 single crystals reveal that crystals with orientations near the -111 had the highest lives, those near the 001 had high lives, and those near the 011 had low lives.

Mackay, R. A.↗
NASA NTRS1986

Method of making macrocrystalline or single crystal semiconductor material

A macrocrystalline or single crystal semiconductive material is formed from a primary substrate including a single crystal or several very large crystals of a relatively low melting material. This primary substrate is deposited on a base such as steel or ceramic, and it may be formed from such metals as zinc, cadmium, germanium, aluminum, tin, lead, copper, brass, magnesium silicide, or magnesium stannide. These materials generally have a melting point below about 1000 C and form on the base crystals the size of fingernails or greater. The primary substrate has an epitaxial relationship with a subsequently applied layer of material, and because of this epitaxial relationship, the material deposited on the primary substrate will have essentially the same crystal size as the crystals in the primary substrate. If required, successive layers are formed, each of a material which has an epitaxial relationship with the previously deposited layer, until a layer is formed which has an epitaxial relationship with the semiconductive material. This layer is referred to as the epitaxial substrate, and its crystals serve as sites for the growth of large crystals of semiconductive material. The primary substrate is passivated to remove or otherwise convert it into a stable or nonreactive state prior to deposition of the seconductive material.

Shlichta, P. J.↗
NASA NTRS1989

The growth of ZnSe single crystals by physical vapor transport

ZnSe single crystals have been grown in sealed quartz ampoules by the physical vapor transport method. Complete transport of the starting material and single site growth have been achieved with no material adhering to the ampoule wall. Growth is initiated in a narrow channel in the cold finger attached to the growth end of the ampoule. The highest growth rate to date has been 280 mg/day which corresponds to an average transport rate of about 1.93 mmol/day. The largest single crystal, measuring 1 cm x 4 mm x 2 mm, had a total growing time of 11 days or an average growth rate of 171 mg/day.

Cheng, Hai-Yuin↗
NASA NTRS1986

Constitutive modeling for single crystal superalloys

The inelastic response of single crystal gamma/gamma prime superalloys is quite different from the behavior of polycrystalline nickel base superalloys. Upto a critical temperature the yield stress of single crystal alloys is a function of the material orientation relative to the direction of the applied stress and the material exhibits significant tension/compression asymmetry. This behavior is primarily due to slip on the octahedral slip system. Above the critical temperature there is a sharp drop in the yield stress, cube slip becomes more predominant and the tension/compression asymmetry is reduced. Similar orientation and tension/compression asymmetry is observed in creep and secondary creep above the critical temperature is inferred to occur by octahedral slip. There are two exceptions to this behavior. First, loading near the (111) orientation exhibits cube slip at all temperatures, and; second, loading near the (001) orientation produces only octahedral slip at all temperatures. The constitutive model is based on separating the total global strain into elastic and inelastic components. This model is developed and briefly discussed.

Stouffer, D. C.↗
NASA NTRS1994

Thermal expansion and elastic anisotropy in single crystal Al2O3 and SiC reinforcements

In single crystal form, SiC and Al2O3 are attractive reinforcing components for high temperature composites. In this study, the axial coefficients of thermal expansion and single crystal elastic constants of SiC and Al2O3 were used to determine their coefficients of thermal expansion and Young's moduli as a function of crystallographic orientation and temperature. SiC and Al2O3 exhibit a strong variation of Young's modulus with orientation; however, their moduli and anisotropies are weak functions of temperature below 1000 C. The coefficients of thermal expansion exhibit significant temperature dependence, and that of the non-cubic Al2O3 is also a function of crystallographic orientation.

Salem, Jonathan A.↗
NASA NTRS1988

Isothermal and bithermal thermomechanical fatigue behavior of a NiCoCrAlY-coated single crystal superalloy

Specimens of single crystal PWA 1480 with group of zone axes (100) orientation, bare, or with NiCoCrAlY coating PWA 276, were tested in low cycle fatigue (LCF) at 650, 870, and 1050 C, and in simplified bithermal thermomechanical fatigue (TMF) tests between these temperatures. These tests were examined as a bridge between isothermal LCF and general TMF. In the bithermal test, an inelastic strain is applied at one temperature, T sub max, and reversed at T sub min. The out-of-phase (OP) test type imposing tension at T sub min and compression at T sub max received most study, since it was more damaging than the in-phase type. Specifically investigated were the effects of: inelastic strain range, the coating, delta T, T sub max, T sub min, and the environment.

Gayda, J.↗
NASA NTRS1988

Isothermal and 'bithermal' thermomechanical fatigue behavior of a NiCoCrAlY-coated single crystal superalloy

Specimens of single crystal PWA 1480 with group of zone axes (100) orientation, bare, or with NiCoCrAlY coating PWA 276, were tested in low cycle fatigue (LCF) at 650, 870, and 1050 C, and in simplified bithermal thermomechanical fatigue (TMF) tests between these temperatures. These tests were examined as a bridge between isothermal LCF and general TMF. In the bithermal test, and inelastic strain is applied at one temperature, T sub max, and reversed at T sub min. The out-of-phase (OP) test type imposing tension at T sub min and compression at T sub max received most study, since it was more damaging than the in-phase type. Specifically investigated were the effects of: inelastic strain range, the coating, delta T, T sub max, T sub min, and the environment.

Gayda, J.↗
NASA NTRS1991

Growth of large, defect-free pure C60 single crystals

Millimeter-sized single crystals of C60 were grown by sublimation of C60 powder in a vacuum for 6-24 h. The crystals had excellent facets, were free of C70 or solvent, and showed face-centered cubic symmetry with a very small mosaic spread down to 0.01 deg.

Meng, R. L.↗
NASA NTRS2000

Optimizing Scale Adhesion on Single Crystal Superalloys

To improve scale adhesion, single crystal superalloys have been desulfurized to levels below 1 ppmw by hydrogen annealing. A transition to fully adherent behavior has been shown to occur at a sulfur level of about 0.2 ppmw, as demonstrated for PWA 1480, PWA 1484, and Rene N5 single crystal superalloys in 1100-1150 C cyclic oxidation tests up to 2000 h. Small additions of yttrium (15 ppmw) also have been effective in producing adhesion for sulfur contents of about 5 ppmw. Thus the critical Y/S ratio required for adhesion was on the order of 3-to-1 by weight (1-to-1 atomic), in agreement with values estimated from solubility products for yttrium sulfides. While hydrogen annealing greatly improved an undoped alloy, yielding <= 0.01 ppmw S, it also produced benefits for Y-doped alloys without measurably reducing the sulfur content.

Smialek, James L.↗
NASA NTRS1984

The preparation of BP single crystals by high pressure flux method

Single crystals of BP, a III-V compound semiconductor, were obtained by the high pressure flux method. Cu3P and Ni12P5 powders were used as the flux, and mixed with BP powder. Two kinds of mixtures were prepared: (1) 1.8g (BP) + 35 G (Cu3P) and (2) 1.7 g (BP) + 25 g (Ni12P5). They were compressed into pellets, heated at 1300 C for 24 h in an induction furnace under a pressure of 1 MPa using Ar-P2 gas, and slowly cooled to room temperature. In case (1), BP single crystals grew along the (III) plane, and in case (2) they grew as an aggregate of crystallites. The cathodoluminescence spectra of the synthetic BP crystals showed peaks near 680 nm (1.82 eV) for case (1), and 500 nm (2.47 eV) for case (2). By using the high pressure flux method conventional sized crystals were obtained in a relatively short time.

Kumashiro, Y.↗
NASA NTRS1984

Low-cost single-crystal turbine blades, volume 2

The overall objectives of Project 3 were to develop the exothermic casting process to produce uncooled single-crystal (SC) HP turbine blades in MAR-M 247 and higher strength derivative alloys and to validate the materials process and components through extensive mechanical property testing, rig testing, and 200 hours of endurance engine testing. These Program objectives were achieved. The exothermic casting process was successfully developed into a low-cost nonproperietary method for producing single-crystal castings. Single-crystal MAR-M 247 and two derivatives DS alloys developed during this project, NASAIR 100 and SC Alloy 3, were fully characterized through mechanical property testing. SC MAR-M 247 shows no significant improvement in strength over directionally solidified (DS) MAR-M 247, but the derivative alloys, NASAIR 100 and Alloy 3, show significant tensile and fatigue improvements. Firtree testing, holography, and strain-gauge rig testing were used to determine the effects of the anisotropic characteristics of single-crystal materials. No undesirable characteristics were found. In general, the single-crystal material behaved similarly to DS MAR-M 247. Two complete engine sets of SC HP turbine blades were cast using the exothermic casting process and fully machined. These blades were successfully engine-tested.

Strangman, T. E.↗
DOE OSTI2025

Rapid Screening of Single-Atom Catalyst Synthesis Conditions Using ToF-SIMS and Facet-Dependent Single-Crystal Substrates

Single-atom catalysts (SACs) offer superior catalytic performance compared to traditional nanoparticle catalysts but are challenging to develop because of the need for extensive optimization and specialized characterization techniques. Here, this study presents a rapid and versatile method for detecting synthesis conditions and elucidating deposition mechanisms of SACs on various substrates. By depositing active elements (Au, Cu, Ni and Rh) on facet-specific single-crystalline substrates (CeO 2 , TiO 2 , MgO and Al 2 O 3 ) and employing time-of-flight secondary ion mass spectroscopy (ToF-SIMS), we assessed facet-dependent deposition behaviors and identified optimal conditions for solution-based SAC synthesis. On CeO 2 and TiO 2 , we confirmed facet-dependent deposition, primarily influenced by oxygen vacancy density and photocatalytic activity, respectively. MgO exhibited the formation of metal oxide/hydroxide clusters for all active elements, and the degree of clustering for Cu and Ni was correlated with the facet hydrolysis susceptibility. Notably, Au and Rh deposition on MgO was facet-independent, attributed to the formation of hydroxide species in solution. Al 2 O 3 , due to its chemical stability and lack of surface defects, did not show active element deposition. This study not only provides a time and cost-efficient method for prescreening SAC synthesis conditions, but it also provides valuable insights into the various deposition mechanisms governing SAC formation on different substrates, paving the way for the rational design of tailored SACs for various catalytic applications.

ToF-SIMS↗
NASA NTRS1986

Crack growth in single-crystal silicon

Crack growth in single-crystal silicon at room temperature in air was evaluated by double torsion (DT) load-relaxation method and monitored by acoustic emission (AE) technique. Both DT and AE methods indicated lack of subcritical crack growth in silicon. At the critical stress intensity factor, the crack front was found to be jumping several times in a 'mirror' region and then followed by fast crack growth in a 'hackle' region. Hackle marks were found to be associated with plastic deformation at the tip of the fast moving crack. No dislocation etch pits were found in the 'mirror' region, in which crack growth may result from interatomic bonds broken at the crack tip under stress without any plastic deformation. Acoustic emission appears to be spontaneously generated from both interatomic bonds broken and dislocation generation at the moving crack tip during the crack growth in single-crystal silicon.

Chen, C. P.↗
DOE OSTI2025

Dislocation‐Driven Formation of Oriented Macroperiodic Metastructures of Curved Single Crystal Lattices in Glass

Abstract Single crystals fabricated in glass by localized heating can develop uniquely deformed lattices stabilized by the surrounding amorphous medium. The development of lattice curvature appears to be intrinsic to the crystal growth process in some systems, while the result of the locally changing crystallography in others. In this work, a model laser‐fabricated rotating lattice Sb 2 S 3 crystal grown in stoichiometric glass is used to demonstrate fabrication of novel macroperiodic metastructures that utilize intrinsic lattice curvature superimposed with subtle crystallographic influences. The limited availability of slip systems drives the lattice curvature magnitude to vary with crystal growth direction, maximizing for lattices aligned with the predominant Burgers vector along with corresponding increases in dislocation density. Misaligned lattice orientations form smaller secondary lattice curvatures arising from misaligned Burgers vectors with further elastic contributions. Over extended crystal growth, these secondary components align the lattice to rotate about either the <001> or <010> crystal axes forming repeating metastructures of lattice orientation with periodicity 20–160 microns in length. The mechanistic approach used in this work may be expanded to other systems with known slip systems to better understand and design macroperiodic metastructures.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Effect of tensile mean stress on fatigue behavior of single-crystal and directionally solidified superalloys

Two nickel base superalloys, single crystal PWA 1480 and directionally solidified MAR-M 246 + Hf, were studied in view of the potential usage of the former and usage of the latter as blade materials for the turbomachinery of the space shuttle main engine. The baseline zero mean stress (ZMS) fatigue life (FL) behavior of these superalloys was established, and then the effect of tensile mean stress (TMS) on their FL behavior was characterized. At room temperature these superalloys have lower ductilities and higher strengths than most polycrystalline engineering alloys. The cycle stress-strain response was thus nominally elastic in most of the fatigue tests. Therefore, a stress range based FL prediction approach was used to characterize both the ZMS and TMS fatigue data. In the past, several researchers have developed methods to account for the detrimental effect of tensile mean stress on the FL for polycrystalline engineering alloys. However, the applicability of these methods to single crystal and directionally solidified superalloys has not been established. In this study, these methods were applied to characterize the TMS fatigue data of single crystal PWA 1480 and directionally solidified MAR-M 246 + Hf and were found to be unsatisfactory. Therefore, a method of accounting for the TMS effect on FL, that is based on a technique proposed by Heidmann and Manson was developed to characterize the TMS fatigue data of these superalloys. Details of this method and its relationship to the conventionally used mean stress methods in FL prediction are discussed.

Kalluri, Sreeramesh↗
DOE OSTI2025

Suppression of the valence transition in solution-grown single crystals of Eu 2 Pt 6 Al 15

Here, the study of Eu intermetallic compounds has allowed the exploration of valence fluctuations and transitions in 4⁢𝑓 electron systems. Recently, a Eu 2 ⁢Pt 6 ⁢Al 15 phase synthesized by arc-melting followed by a thermal treatment was reported M. Radzieowski et al. [J. Am. Chem. Soc. 140, 8950 (2018)], which undergoes a transition upon cooling below 45 K that was interpreted as a valence transition from Eu 2+ to Eu 3+ . In this paper, we present the discovery of another polymorph of Eu 2 ⁢Pt 6 ⁢Al 15 obtained by high temperature solution growth, which presents different physical properties than the arc-melted polycrystalline sample. Despite the similarities in crystal structure and chemical composition, the Eu valence transition is almost fully suppressed in the solution-grown crystals, allowing the moments associated with the Eu 2+ state to order antiferromagnetically at around 14 K. A detailed analysis of the crystal structure using single crystal x-ray diffraction reveals that, although the solution grown crystals are built from the same constituent layers as the arc-melted samples, these layers present a different stacking. The effect of different thermal treatments is also studied. Different anneal procedures did not result in significant changes in the intrinsic properties, and only by arc-melting and quenching the crystals we were able to convert them into the previously reported polymorph.

Schmidt, Juan [Ames Laboratory, and Iowa State Uni↗