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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unraveling fundamental mechanisms of silicon nitride crystallization in microelectronics manufacturing

This research project investigates the fundamental mechanisms of silicon nitride (SiN) crystallization, aiming to enhance the understanding of this critical material in microelectronics manufacturing. Through a collaborative effort between Sandia National Laboratories, the University of Tennessee, and the University of Florida, we developed a comprehensive framework that integrates experimental techniques, atomistic modeling, meso-scale simulations, and an integrated multi-scale model to capture this physical phenomenon on multiple time and length scales . The project developed a new machine learning based atomistic potential and utilized advanced phase field modeling to capture the complexities of polycrystalline growth and the influence of mechanical stresses on crystallization dynamics. By employing a grain tracker algorithm, the meso-scale model effectively identified and tracked individual crystal grains, enabling the simulation of anisotropic growth behaviors reflective of SiN’s physical properties. The integration of atomistic simulations with meso-scale modeling created a powerful multi-scale framework that validated atomistic inputs and enhanced predictive accuracy for crystallization dynamics at larger scales, validated experimentally. This adaptable modeling capability not only accelerates development times by informing manufacturing processes but also serves as a valuable starting point for understanding crystallization physics in similar materials. The insights gained from this research unlock new opportunities for the development of advanced materials tailored for future microelectronics and photonics applications. Overall, this project represents a significant advancement in understanding of fundamental physics of SiN and establishes a foundation for future research in material science, bridging the gap between atomic-level phenomena and macroscopic material behaviors for practical applications.

36 MATERIALS SCIENCE↗
NASA NTRS2016

Separating the Influence of Environment from Stress Relaxation Effects on Dwell Fatigue Crack Growth in a Nickel-Base Disk Alloy

Both environmental embrittlement and crack tip visco-plastic stress relaxation play a significant role in determining the dwell fatigue crack growth (DFCG) resistance of nickel-based disk superalloys. In the current study performed on the Low Solvus High Refractory (LSHR) disk alloy, the influence of these two mechanisms were separated so that the effects of each could be quantified and modeled. Seven different microstructural variations of LSHR were produced by controlling the cooling rate and the subsequent aging and thermal exposure heat treatments. Through cyclic fatigue crack growth testing performed both in air and vacuum, it was established that four out of the seven LSHR heat treatments evaluated, possessed similar intrinsic environmental resistance to cyclic crack growth. For these four heat treatments, it was further shown that the large differences in dwell crack growth behavior which still persisted, were related to their measured stress relaxation behavior. The apparent differences in their dwell crack growth resistance were attributed to the inability of the standard linear elastic fracture mechanics (LEFM) stress intensity parameter to account for visco-plastic behavior. Crack tip stress relaxation controls the magnitude of the remaining local tensile stresses which are directly related to the measured dwell crack growth rates. It was hypothesized that the environmentally weakened grain boundary crack tip regions fail during the dwells when their strength is exceeded by the remaining local crack tip tensile stresses. It was shown that the classical creep crack growth mechanisms such as grain boundary sliding did not contribute to crack growth, but the local visco-plastic behavior still plays a very significant role by determining the crack tip tensile stress field which controls the dwell crack growth behavior. To account for the influence of the visco-plastic behavior on the crack tip stress field, an empirical modification to the LEFM stress intensity parameter, Kmax, was developed by incorporating into the formulation the remaining stress level concept as measured by simple stress relaxation tests. The newly proposed parameter, Ksrf, did an excellent job in correlating the dwell crack growth rates for the four heat treatments which were shown to have similar intrinsic environmental cyclic fatigue crack growth resistance.

Dwell crack growth↗
NASA NTRS2016

Separating the Influence of Environment from Stress Relaxation Effects on Dwell Fatigue Crack Growth

Seven different microstructural variations of LSHR were produced by controlling the cooling rate and the subsequent aging and thermal exposure heat treatments. Through cyclic fatigue crack growth testing performed both in air and vacuum, it was established that four out of the seven LSHR heat treatments evaluated, possessed similar intrinsic environmental resistance to cyclic crack growth. For these four heat treatments, it was further shown that the large differences in dwell crack growth behavior which still persisted, were related to their measured stress relaxation behavior. The apparent differences in their dwell crack growth resistance were attributed to the inability of the standard linear elastic fracture mechanics (LEFM) stress intensity parameter to account for visco-plastic behavior. Crack tip stress relaxation controls the magnitude of the remaining local tensile stresses which are directly related to the measured dwell crack growth rates. It was hypothesized that the environmentally weakened grain boundary crack tip regions fail during the dwells when their strength is exceeded by the remaining local crack tip tensile stresses. It was shown that the classical creep crack growth mechanisms such as grain boundary sliding did not contribute to crack growth, but the local visco-plastic behavior still plays a very significant role by determining the crack tip tensile stress field which controls the dwell crack growth behavior. To account for the influence of the visco-plastic behavior on the crack tip stress field, an empirical modification to the LEFM stress intensity parameter, Kmax, was developed by incorporating into the formulation the remaining stress level concept as measured by simple stress relaxation tests. The newly proposed parameter, Ksrf, did an excellent job in correlating the dwell crack growth rates for the four heat treatments which were shown to have similar intrinsic environmental cyclic fatigue crack growth resistance.

environmental damage↗
DOE OSTI2020

Comparative study of helium bubbles in a Ti-Ta alloy and a Ti/Ta nanocomposite

Here, we investigated the size, density, and distribution of helium (He) bubbles in a Ti-Ta single-phase alloy and a Ti/Ta dual-phase nanocomposite using transmission electron microscopy. The Ti/Ta nanocomposite was fabricated via phase separation during high-temperature annealing of the single-phase Ti-Ta alloy. He ion implantation in the Ti-Ta single-phase alloy leads to the formation of nano-scale He bubbles (~1.7 nm in size, ~2.6×10 5 /μm 3 in volumetric density). He bubbles were found to segregate to grain boundaries. Under identical implantation conditions, numerous He bubbles also formed in the Ti/Ta nanocomposite. Closer inspection revealed that He bubbles in the Ti-rich phase are smaller and of higher volumetric density (~1.2 nm, ~8.4×10 5 /μm 3 ) than those in the Tarich phase (~3 nm, ~1.8×10 5 /μm 3 ) and the single-phase alloy. He bubbles were also observed to decorate phase boundaries, but they were generally smaller than those on grain boundaries. These results suggest that Ti/Ta phase boundaries are less conducive to the growth of large He bubbles than grain boundaries in the Ti-Ta single phase alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dislocation dynamics in polycrystalline materials

An extension of the dislocation dynamics method to polycrystalline materials is presented with emphasis on handling interactions between dislocations and grain boundaries. The key new features of the method include: (1) a grain boundary detection algorithm, (2) new dislocation emission criteria based on power dissipation and area growth, (3) mobility of dislocations at grain boundaries, and (4) extension of topological operations e.g. mesh adaption, collision, and dissociation to handle dislocations interacting with grain boundaries. Furthermore, verification and validation examples are executed to compare our calculations with existing analytic methods, molecular dynamics simulations, and experimental observations.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Stochastic modeling of crack initiation and short-crack growth under creep and creep-fatigue conditions

A simplified stochastic model is proposed for crack initiation and short-crack growth under creep and creep-fatigue conditions. Material inhomogeneity provides the random nature of crack initiation and early growth. In the model, the influence of microstructure is introduced by the variability of: (1) damage accumulation along grain boundaries, (2) critical damage required for crack initiation or growth, and (3) the grain-boundary length. The probabilities of crack initiation and growth are derived by using convolution integrals. The model is calibrated and used to predict the crack density and crack-growth rate of short cracks of 304 stainless steel under creep and creep-fatigue conditions. The mean-crack initiation lives are predicted to be within an average deviation of about 10 percent from the experimental results. The predicted cumulative distributions of crack-growth rate follow the experimental data closely. The applicability of the simplified stochastic model is discussed and the future research direction is outlined.

Kitamura, Takayuki↗
NASA NTRS1992

Stochastic modeling of crack initiation and short-crack growth under creep and creep-fatigue conditions

A simplified stochastic model is proposed for crack initiation and short-crack growth under creep and creep-fatigue conditions. Material inhomogeneity provides the random nature of crack initiation and early growth. In the model, the influence of microstructure is introduced by the variability of: (1) damage accumulation along grain boundaries, (2) critical damage required for crack initiation or growth, and (3) the grain-boundary length. The probabilities of crack initiation and growth are derived by using convolution integrals. The model is calibrated and used to predict the crack density and crack-growth rate of short cracks of 304 stainless steel under creep and creep-fatigue conditions. The mean-crack initiation lives are predicted to be within an average deviation of about 10 percent from the experimental results. The predicted comulative distributions of crack-growth rate follow the experimental data closely. The applicability of the simplified stochastic model is discussed and the future research direction is outlined.

Kitamura, Takayuki↗
NASA NTRS1991

CBr4 vapor growth morphologies near the polymorphic transition point. I - Single crystals. II - Crystals with large-angle grain boundaries

High-resolution microscopy and image processing were used to investigate morphological changes in CBr4 single crystals during growth from the vapor at various levels of supersaturation and at temperatures below the compound's polymorphic phase transition. It was found that, as the temperature increased at fixed supersaturations, the corners of the crystals became rounded as a result of thermal roughening; the rounding temperatures were different for crystallographically different corners. A study of CBr4 crystals with large-angle grain boundaries or twin boundaries (extended macrodefects), conducted at the temperature of polymorphic phase transition showed that the phase transition temperature, T(tr) and crystal surface morphology of these crystals depended on the presence or absence of extended macrodefects. Unlike the case of a perfect single crystal, where the T(tr) was about 46.75 C, the phase transition in crystals with extended macrodefects occurred significantly below 46.75.

Xiao, Rong-Fu↗
NASA NTRS1974

A scanning electron microscope study of olivine crystal surfaces

SEM photographs were taken of euhedral olivine grains from the Murchison C2 chondrite and several terrestrial and lunar occurrences. In general, the crystal faces of the meteorite grains are rough and uneven, with irregular growth patterns. They are very similar to crystal faces on terrestrial olivine grains that formed by sublimation from a vapor phase. They are very different from the relatively smooth and featureless surfaces of magmatic olivine crystals that precipitated from igneous melts. Qualitatively, the surface morphology of the crystal supports the contention that many euhedral crystals of olivine in C2 meteorites condensed from a gas phase.

Olsen, E. J.↗
NASA NTRS1984

Defects in High Speed Growth of EFG Silicon Ribbon

Silicon ribbons grown by the Edge-defined Film-fed Growth (EFG) technique exhibit a characteristic defect structure typified by twins, dislocations, grain boundaries and silicon carbide inclusions. As growth speed is increased from less than 2.5 cm per minute, the structural details change. The major difference between the ribbons grown at speeds below and above 2.5 cm per minute is in the generation of a cellular structure at the higher growth speeds, observable in the ribbon cross section. The presence of the cross sectional structure leads, in general, to a reduction in cell performance. Models to explain the formation of such a cross sectional structure are presented and discussed.

Rao, C. V. H. N.↗
DOE OSTI2025

Influence of fertilization on the dynamics of energy use in wheat

Plant energy use is fundamental to plant survival and growth. However, we still lack effective means to quantify plant energy use strategies. This study introduced a concept quantifying the light level at which photochemical and non-photochemical energy use in plants are in equilibrium — the photochemical compensation point (PCCP) which can be determined with chlorophyll fluorescence measurements. We used winter wheat as a test case to explore the dynamics of PCCP and its physiological and biochemical regulations. Winter wheat PCCP decreased significantly across growth stages from jointing to grain filling. Long-term nitrogen and phosphate (NP) fertilization significantly increased PCCP, whereas potassium (K) and manure (M) fertilizer supplementation had negligible effects. PCCP exhibited significant positive correlations with leaf thickness, leaf P and sulfur (S), and stomatal conductance (gs) across all growth stages. All manure-amended treatments exhibited positive correlations of PCCP with leaf N, P, K and gs, and negative correlations with leaf calcium (Ca). Random forest analysis revealed that gs was the most significant predictor of PCCP variation, followed by leaf P, iWUE, and leaf thickness across all treatments. We suggest that plant energy use strategies are strongly coupled with plant water use strategies and nutrient availability through a complex interplay of effects on physiological and biochemical traits.

energy allocation↗
DOE OSTI2022

Strain-rate dependent deformation mechanisms in single-layered Cu, Mo, and multilayer Cu/Mo thin films

Here, strain-rate sensitivity and rate-dependent hardness, over a range of 10 -2 to 10 2 s -1 , of sputter-deposited single-layered Cu, Mo, and 5 nm Cu/ 5 nm Mo, and 100 nm Cu/ 100 nm Mo multilayer films with a total film thickness of 5 μm were measured using nanoindentation. The plastic zone underneath the nanoindents was characterized via cross-sectional transmission electron microscopy (XTEM). The multilayer films exhibited enhanced hardness but slightly reduced strain-rate sensitivity with decreasing layer thickness from 100 nm to 5 nm. Only the 5 nm Cu/ 5 nm Mo multilayer film exhibited shear bands underneath the nanoindents, and the size of the shear bands increased with increasing strain rate. In contrast, the 100 nm Cu/ 100 nm Mo multilayer film exhibited material pile-up around the indents and significant nanotwinning within Cu grains. The effect of strain rate and layer thickness on the hardness and strain rate sensitivity of the multilayer thin films is interpreted using a modified confined layer slip (CLS) model. The reduced rate sensitivity at 5 nm as compared to 100 nm correlates with abundant growth nanotwins in the Cu grains in 100 nm and formation of shear bands in 5 nm multilayers. In single layer films, a substructure with a high density of dislocations was observed consistent with the plastic strain gradient in the indent plastic zone. No evidence of deformation twins was noted in any of the samples.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Fatigue crack propagation of nickel-base superalloys at 650 deg C

The 650 C fatigue crack propagation behavior of two nickel-base superalloys, Rene 95 and Waspaloy, is studied with particular emphasis placed on understanding the roles of creep, environment, and two key grain boundary alloying additions, boron and zirconium. Comparison of air and vacuum data shows the air environment to be detrimental over a wide range of frequencies for both alloys. More in-depth analysis on Rene 95 shows at lower frequencies, such as 0.02 Hz, failure in air occurs by intergranular, environmentally-assisted creep crack growth, while at higher frequencies, up to 5.0 Hz, environmental interactions are still evident but creep effects are minimized. The effect of B and Zr in Waspaloy is found to be important where environmental and/or creep interactions are presented. In those instances, removal of B and Zr dramatically increases crack growth and it is therefore plausible that effective dilution of these elements may explain a previously observed trend in which crack growth rates increase with decreasing grain size.

Gayda, J.↗
NASA NTRS1988

Fatigue crack propagation of nickel-base superalloys at 650 deg C

The 650 C fatigue crack propagation behavior of two nickel-base superalloys, Rene 95 and Waspaloy, is studied with particular emphasis placed on understanding the roles of creep, environment, and two key grain boundary alloying additions, boron and zirconium. Comparison of air and vacuum data shows the air environment to be detrimental over a wide range of frequencies for both alloys. More in-depth analysis on Rene 95 shows at lower frequencies, such as 0.02 Hz, failure in air occurs by intergranular, environmentally-assisted creep crack growth, while at higher frequencies, up to 5.0 Hz, environmental interaction are still evident but creep effects are minimized. The effect of B and Zr in Waspaloy is found to be important where environmental and/or creep interactions are presented. In those instances, removal of B and Zr dramatically increases crack growth and it is therefore plausible that effective dilution of these elements may explain a previously observed trend in which crack growth rates increase with decreasing grain size.

Gayda, J.↗
DOE OSTI2020

Ring Morphology with Dust Coagulation in Protoplanetary Disks

Tidal interactions between the embedded planets and their surrounding protoplanetary disks are often postulated to produce the observed complex dust substructures, including rings, gaps, and asymmetries. In this Letter, we explore the consequences of dust coagulation on the dust dynamics and ring morphology. Coagulation of dust grains leads to dust size growth that, under typical disk conditions, produces faster radial drifts, potentially threatening the dust ring formation. Utilizing 2D hydrodynamical simulations of protoplanetary disks that include a full treatment of dust coagulation, we find that if the planet does not open a gap quickly enough, the formation of an inner ring is impeded due to dust coagulation and subsequent radial drift. Furthermore, we find that a "buildup" of submillimeter-sized grains often appears in the dust emission at the outer edge of the dust disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A soft departure from jamming: the compaction of deformable granular matter under high pressures

Here, the high-pressure compaction of three-dimensional granular packings is simulated using a bonded particle model (BPM) to capture linear elastic deformation. In the model, grains are represented by a collection of point particles connected by bonds. A simple multibody interaction is introduced to control Poisson's ratio and the arrangement of particles on the surface of a grain is varied to model both high- and low-frictional grains. At low pressures, the growth in packing fraction and coordination number follows the expected behavior near jamming and exhibit friction dependence. As the pressure increases, deviations from the low-pressure power-law scaling emerge after the packing fraction grows by approximately 0.1 and results from simulations with different friction coefficients converge. These results are compared to predictions from traditional discrete element method simulations which, depending on the definition of packing fraction and coordination number, may only differ by a factor of two. As grains deform under compaction, the average volumetric strain and asphericity, a measure of the change in the shape of grains, are found to grow as power laws and depend heavily on the Poisson's ratio of the constituent solid. Larger Poisson's ratios are associated with less volumetric strain and more asphericity and the apparent power-law exponent of the asphericity may vary. The elastic properties of the packed grains are also calculated as a function of packing fraction. In particular, we find the Poisson's ratio near jamming is 1/2 but decreases to around 1/4 before rising again as systems densify.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Superalloy Disk With Dual-Grain Structure Spin Tested

Advanced nickel-base disk alloys for future gas turbine engines will require greater temperature capability than current alloys, but they must also continue to deliver safe, reliable operation. An advanced, nickel-base disk alloy, designated Alloy 10, was selected for evaluation in NASA s Ultra Safe Propulsion Project. Early studies on small test specimens showed that heat treatments that produced a fine grain microstructure promoted high strength and long fatigue life in the bore of a disk, whereas heat treatments that produced a coarse grain microstructure promoted optimal creep and crack growth resistance in the rim of a disk. On the basis of these results, the optimal combination of performance and safety might be achieved by utilizing a heat-treatment technology that could produce a fine grain bore and coarse grain rim in a nickel-base disk. Alloy 10 disks that were given a dual microstructure heat treatment (DMHT) were obtained from NASA s Ultra-Efficient Engine Technology (UEET) Program for preliminary evaluation. Data on small test specimens machined from a DMHT disk were encouraging. However, the benefit of the dual grain structure on the performance and reliability of the entire disk still needed to be demonstrated. For this reason, a high temperature spin test of a DMHT disk was run at 20 000 rpm and 1500 F at the Balancing Company of Dayton, Ohio, under the direction of NASA Glenn Research Center personnel. The results of that test showed that the DMHT disk exhibited significantly lower crack growth than a disk with a fine grain microstructure. In addition, the results of these tests could be accurately predicted using a two-dimensional, axisymmetric finite element analysis of the DMHT disk. Although the first spin test demonstrated a significant performance advantage associated with the DMHT technology, a second spin test on the DMHT disk was run to determine burst margin. The disk burst in the web at a very high speed, over 39 000 rpm, in line with the predicted location and speed. Furthermore, significant growth of the disk was observed before failure, in line with predictions, clearly demonstrating the reliability and safety of the DMHT technology. Although successful spin testing in Ultra Safe's Nickel Disk Program represents a significant milestone for DMHT technology, realistic engine operation will require repeated loading of a DMHT nickel disk. For this reason, a cyclic spin test study of DMHT nickel disk technology has been proposed to start in fiscal year 2003 under NASA's Aviation Safety Program. The goal of this program will be to determine the fatigue failure mechanism in DMHT nickel disks, thereby demonstrating the reliability and safety of DMHT technology under repetitive loading conditions encountered in realistic engine operation.

Gayda, John↗
NASA NTRS2000

1300 K Compressive Properties of Directionally Solidified Ni-33Al-33Cr-1Mo

The Ni-33Al-33Cr-1Mo eutectic has been directionally solidified by a modified Bridgeman technique at growth rates ranging from 7.6 to 508 mm/h to produce grain/cellular microstructures, containing alternating plates of NiAl and Cr alloyed with Mo. The grains had sharp boundaries for slower growth rates (< 12.7 mm/h), while faster growth rates (> 25.4 mm/h) lead to cells bounded by intercellular regions. Compressive testing at 1300 K indicated that alloys DS'ed at rates between 25.4 to 254 mm/h possessed the best strengths which exceed that for the as-cast alloy.

Whittenberger, J. Daniel↗