Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “crystal engineering”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9

Detection of the Impact of Ice Crystal Accretion in an Aircraft Engine Compression System During Dynamic Operation

The accretion of ice in the compression system of commercial gas turbine engines operating in high ice water content conditions is a safety issue being studied by the aviation community. While most of the research focuses on the underlying physics of ice accretion and the meteorological conditions in which accretion can occur, a systems-level perspective on the topic lends itself to potential near-term operational improvements. Here a detection algorithm is developed which has the capability to detect the impact of ice accretion in the Low Pressure Compressor of an aircraft engine during steady flight as well as during changes in altitude. Unfortunately, the algorithm as implemented was not able to distinguish throttle changes from ice accretion and thus more work remains to be done.

detection↗

Beyond the Hype: Navigating the Promise and Pitfalls of Multi-Modal Models for Materials Science

Multi-modal models offer great potential for accelerating discovery in materials and chemical systems, but their adoption raises crucial questions: What materials science challenges are best addressed by multi-modal approaches? How do we weigh the benefits against the resource investment required for multi-modal data acquisition? And critically, how can we optimize experimental workflows to leverage these models effectively? In this presentation, I will delve into the development of multi-modal characterization and analytics, focusing on their application in the demanding fields of next-generation microelectronics and energy storage materials. I will share challenges encountered in designing these workflows, highlighting lessons learned and posing questions that remain unanswered.

AI↗

Ice Crystal Icing Investigation on a Honeywell Uncertified Research Engine in an Altitude Simulation Icing Facility

A Honeywell Uncertified Research Engine was exposed to various ice crystal conditions in the NASA Glenn Propulsion Systems Laboratory. Simulations using NASA's 1D Icing Risk Analysis tool were used to determine potential inlet conditions that could lead to ice crystal accretion along the inlet of the core flowpath and into the high pressure compressor. These conditions were simulated in the facility to develop baseline conditions. Parameters were then varied to move or change accretion characteristics. Data were acquired at altitudes varying from 5 kft to 45 kft, at nominal ice particle Median Volumetric Diameters from 20 µm to 100 µm, and total water contents of 1 g/m3 to 12 g/m3. Engine and flight parameters such as fan speed, Mach number, and inlet temperature were also varied. The engine was instrumented with total temperature and pressure probes. Static pressure taps were installed at the leading edge of the fan stator, front frame hub, the shroud of the IGV, and first two rotors. Metal temperatures were acquired for vane stators 1-2. In-situ measurements of the particle size distribution were acquired three meters upstream of the engine forward fan flange and one meter downstream of the fan in the bypass in order to study particle break-up behavior. Cameras were installed in the engine to capture ice accretions at the leading edge of the fan stator, splitter lip, and inlet guide vane. Additional measurements acquired but not discussed in this paper include: high speed pressure transducers installed at the trailing edge of the first stage rotor and light extinction probes used to acquire particle concentrations at the fan exit stator plane and at the inlet to the core and bypass. The goal of this study was to understand key parameters of accretion, acquire particle break-up data aft of the fan, and generate a unique icing dataset for model and tool development. This work described in the paper focuses on the effect of particle break-up. It was found that there was significant particle break-up downstream of the fan in the bypass especially with larger initial particle sizes. The metal temperatures on the inlet guide vanes and stators show a temperature increase with increasing MVD. Accretion behavior was very similar across all test cases. However at the inlet guide vanes, the accretion decreased with increasing particle size.

Ashlie B Flegel↗

Sensitivity Analysis and Optimization of Enclosure Radiation with Applications to Crystal Growth

In engineering, simulation software is often used as a convenient means for carrying out experiments to evaluate physical systems. The benefit of using simulations as 'numerical' experiments is that the experimental conditions can be easily modified and repeated at much lower cost than the comparable physical experiment. The goal of these experiments is to 'improve' the process or result of the experiment. In most cases, the computational experiments employ the same trial and error approach as their physical counterparts. When using this approach for complex systems, the cause and effect relationship of the system may never be fully understood and efficient strategies for improvement never utilized. However, it is possible when running simulations to accurately and efficiently determine the sensitivity of the system results with respect to simulation to accurately and efficiently determine the sensitivity of the system results with respect to simulation parameters (e.g., initial conditions, boundary conditions, and material properties) by manipulating the underlying computations. This results in a better understanding of the system dynamics and gives us efficient means to improve processing conditions. We begin by discussing the steps involved in performing simulations. Then we consider how sensitivity information about simulation results can be obtained and ways this information may be used to improve the process or result of the experiment. Next, we discuss optimization and the efficient algorithms which use sensitivity information. We draw on all this information to propose a generalized approach for integrating simulation and optimization, with an emphasis on software programming issues. After discussing our approach to simulation and optimization we consider an application involving crystal growth. This application is interesting because it includes radiative heat transfer. We discuss the computation of radiative new factors and the impact this mode of heat transfer has on our approach. Finally, we will demonstrate the results of our optimization.

Tiller, Michael M.↗

Analyses of Elemental Partitioning in Advanced Nickel-Base Superalloy Single Crystals

Aircraft propulsion engines for the High Speed Civil Transport which may be developed early in the 21st century will require significantly different durability requirements than those which currently power civil aircraft. The durability will be more difficult to achieve because it is expected that the new aircraft engines will have to operate at near maximum power for more than half of each flight compared to 5 to 10 percent for typical current aircraft. To meet this requirement, a team of NASA, Pratt & Whitney Aircraft, and General Electric personnel have been formed to develop an appropriate alloy for the mission. This report summarizes the work performed by a part of that team up to the retirement of one of its members, R.L. Dreshfield. The prime purpose of the report is to assemble the data obtained in a single document so that it may be more accessible to those who may wish to pursue it at a later date.

Dreshfield, Robert L.↗

Ordered nanoparticle arrays formed on engineered chaperonin protein templates

Traditional methods for fabricating nanoscale arrays are usually based on lithographic techniques. Alternative new approaches rely on the use of nanoscale templates made of synthetic or biological materials. Some proteins, for example, have been used to form ordered two-dimensional arrays. Here, we fabricated nanoscale ordered arrays of metal and semiconductor quantum dots by binding preformed nanoparticles onto crystalline protein templates made from genetically engineered hollow double-ring structures called chaperonins. Using structural information as a guide, a thermostable recombinant chaperonin subunit was modified to assemble into chaperonins with either 3 nm or 9 nm apical pores surrounded by chemically reactive thiols. These engineered chaperonins were crystallized into two-dimensional templates up to 20 microm in diameter. The periodic solvent-exposed thiols within these crystalline templates were used to size-selectively bind and organize either gold (1.4, 5 or 10nm) or CdSe-ZnS semiconductor (4.5 nm) quantum dots into arrays. The order within the arrays was defined by the lattice of the underlying protein crystal. By combining the self-assembling properties of chaperonins with mutations guided by structural modelling, we demonstrate that quantum dots can be manipulated using modified chaperonins and organized into arrays for use in next-generation electronic and photonic devices.

Chaperonins/chemistry/ultrastructure↗

Energy efficient engine high-pressure turbine single crystal vane and blade fabrication technology report

The objective of the High-Pressure Turbine Fabrication Program was to demonstrate the application and feasibility of Pratt & Whitney Aircraft-developed two-piece, single crystal casting and bonding technology on the turbine blade and vane configurations required for the high-pressure turbine in the Energy Efficient Engine. During the first phase of the program, casting feasibility was demonstrated. Several blade and vane halves were made for the bonding trials, plus solid blades and vanes were successfully cast for materials evaluation tests. Specimens exhibited the required microstructure and chemical composition. Bonding feasibility was demonstrated in the second phase of the effort. Bonding yields of 75 percent for the vane and 30 percent for the blade were achieved, and methods for improving these yield percentages were identified. A bond process was established for PWA 1480 single crystal material which incorporated a transient liquid phase interlayer. Bond properties were substantiated and sensitivities determined. Tooling die materials were identified, and an advanced differential thermal expansion tooling concept was incorporated into the bond process.

Giamei, A. F.↗

Revealing and Engineering Assembly Pathways of 3D DNA Origami Crystals

Recent developments in nanomaterial self-assembly demonstrate the capability to create tailored nanostructures by engineering both the binding coordination and specificity of interactions between material subunits. DNA origami frames allow for the design and fabrication of a broad variety of ordered 3D nanoscale architectures through self-assembly, facilitated by frame-to-frame bonds with designable strength and specificity. While the bond design is critical to lattice formation, the assembly process itself is often dependent on a thermal pathway. Highly ordered nanoscale frameworks, assembled from DNA frames, are predominantly crystallized through thermal annealing pathways that typically follow a “slow” cooling approach, with experiments on the time scale of days yielding DNA origami crystals in the range of 1−10 μm. This extended assembly time scale hinders the study of crystal formation pathways, necessitating a deeper understanding of factors governing successful annealing. Lack of insight into time scale also presents a practical limitation for material fabrication. Here, we investigate key factors affecting lattice assembly pathways and demonstrate that precise engineering of assembly conditions greatly reduces assembly times by up to nearly 2 orders of magnitude. We evaluate the nucleation and growth of crystals via optical and electron microscopy, and small-angle X-ray scattering techniques, mapping the time−temperature-transformation of superlattices from the melt through single-crystal optical tracking. The results show that origami frame assembly can be described by classical nucleation and growth theory, which can, in turn, be used to prescribe the growth of the crystals. Lastly, these findings are applied to demonstrate thermal pathway-dependent assembly, forming distinct assemblies based on different thermal annealing profiles.

36 MATERIALS SCIENCE↗

Ice-Crystal Icing Investigation on a Honeywell Uncertified Research Engine in an Altitude Simulation Icing Facility

A Honeywell Uncertified Research Engine was exposed to various ice-crystal conditions in the NASA Propulsion Systems Laboratory (PSL). Simulations using NASA's one-dimensional (1D) Icing Risk Analysis tool were used to determine potential inlet conditions that could lead to ice-crystal accretion along the inlet of the core flowpath and into the high-pressure compressor. Baseline conditions were established, and parameters were varied to observe accretion characteristics. Data were acquired at altitudes varying from 5 kft to 45 kft, at nominal ice particle median volumetric diameters from 20 µm to 100 µm, and total water contents of 1 g/m3 to 12 g/m3. Metal temperatures were acquired for the inlet guide vane and vane stators 1–2. In situ measurements of the particle size distribution were acquired upstream and downstream of the engine fan face in order to study particle breakup behavior. Cameras were installed in the engine to capture ice accretions at the leading edge of the fan stator, splitter lip, and inlet guide vane. The goal of this study was to understand the key parameters of accretion, acquire particle breakup data aft of the fan, and generate a unique icing dataset for model development. Significant particle breakup downstream of the fan in the bypass was observed. The metal temperatures on the inlet guide vanes (IGVs) and stators show a temperature increase with increasing particle size. Accretion behavior at the fan stator and splitter lip across was very similar. However, accretion decreased with increasing particle size at the IGVs.

Ashlie B. Flegel↗

An Investigation of Glaciated Cloud Capabilities in the NASA Glenn Icing Research Tunnel

In 2015 the FAA added Appendix D to Part 33 engine certification requirements that included Mixed Phase and Ice Crystal Icing to aircraft engine certification. Replicating the ice crystal environment that is seen in nature has proven to be a challenge, which multiple engine ground testing facilities and icing wind tunnels have achieved to varying degrees. The Icing Research Tunnel (IRT) at NASA Glenn has always been focused on super-cooled liquid water to produce FAA Part 23 and Part 25 regulations, targeting Appendix C and lately also Appendix O. However, due to a growing interest in the field of ice crystals and the high cost of operating engine icing facilities, the IRT staff have recently completed testing using the Multi-Element Sensor (also known as the multi-wire) to measure glaciated cloud conditions. Results indicate that turning off the heat to the nozzle air and water supply can create a stable, fully glaciated cloud in the test section for a small range of conditions: drop-size distribution values below 20 microns (median volumetric diameter), air temperatures as warm as -7 deg C, and airspeeds between 100 and 250 knots. These tests also revealed how varying the total temperature, airspeed, nozzle air pressure, and nozzle water pressure affect the glaciation of the IRT cloud.

ice water content↗

Superconductivity device comprising a phononic crystal

The invention is directed to a device and method to engineer the superconducting transition width by suppressing the phonon populations responsible for the Cooper-pair decoherence below the superconducting transition temperature via phononic bandgap engineering. The device uses phononic crystals to engineer a phononic frequency gap that suppresses the decohering thermal phonon population just below the Cooper-frequency, and thus the normal conduction electron population. For example, such engineering can relax the cooling requirements for a variety of circuits yielding higher operational quality factors for superconducting electronics and interconnects.

El-Kady, Ihab Fathy↗

Mixed Phase Modeling in GlennICE with Application to Engine Icing

A capability for modeling ice crystals and mixed phase icing has been added to GlennICE. Modifications have been made to the particle trajectory algorithm and energy balance to model this behavior. This capability has been added as part of a larger effort to model ice crystal ingestion in aircraft engines. Comparisons have been made to four mixed phase ice accretions performed in the Cox icing tunnel in order to calibrate an ice erosion model. A sample ice ingestion case was performed using the Energy Efficient Engine (E3) model in order to illustrate current capabilities. Engine performance characteristics were supplied using the Numerical Propulsion System Simulation (NPSS) model for this test case.

Wright, William B.↗

Fundamental Ice Crystal Accretion Physics Studies

Due to numerous engine power-loss events associated with high-altitude convective weather, ice accretion within an engine due to ice crystal ingestion is being investigated. The National Aeronautics and Space Administration (NASA) and the National Research Council (NRC) of Canada are starting to examine the physical mechanisms of ice accretion on surfaces exposed to ice-crystal and mixed-phase conditions. In November 2010, two weeks of testing occurred at the NRC Research Altitude Facility utilizing a single wedge-type airfoil designed to facilitate fundamental studies while retaining critical features of a compressor stator blade or guide vane. The airfoil was placed in the NRC cascade wind tunnel for both aerodynamic and icing tests. Aerodynamic testing showed excellent agreement compared with CFD data on the icing pressure surface and allowed calculation of heat transfer coefficients at various airfoil locations. Icing tests were performed at Mach numbers of 0.2 to 0.3, total pressures from 93 to 45 kPa, and total temperatures from 5 to 15 C. Ice and liquid water contents ranged up to 20 and 3 g/m3, respectively. The ice appeared well adhered to the surface in the lowest pressure tests (45 kPa) and, in a particular case, showed continuous leading-edge ice growth to a thickness greater than 15 mm in 3 min. Such widespread deposits were not observed in the highest pressure tests, where the accretions were limited to a small area around the leading edge. The suction surface was typically ice-free in the tests at high pressure, but not at low pressure. The icing behavior at high and low pressure appeared to be correlated with the wet-bulb temperature, which was estimated to be above 0 C in tests at 93 kPa and below 0 C in tests at lower pressure, the latter enhanced by more evaporative cooling of water. The authors believe that the large ice accretions observed in the low pressure tests would undoubtedly cause the aerodynamic performance of a compressor component such as a stator blade to degrade significantly, and could damage downstream components if shed.

Struk, Peter M.↗

Crystals of Human Serum Albumin for Use in Genetic Engineering and Rational Drug Design

This invention pertains to crystals of serum albumin and processes for growing them. The purpose of the invention is to provide crystals of serum albumin which can be studied to determine binding sites for drugs. Form 2 crystals grow in the monoclinic space P2(sub 1), and possesses the following unit cell constraints: a = 58.9 +/- 7, b = 88.3 +/- 7, c = 60.7 +/- 7, Beta = 101.0 +/- 2 degrees. One advantage of the invention is that it will allow rational drug design

Carter, Daniel C.↗

Data for "Photoinduced Chemomimetic Biocatalysis for Enantioselective Intermolecular Radical Conjugate Addition"

Exploiting nature’s catalysts for non-natural transformations that are inaccessible to chemocatalysis is highly desirable but challenging. On the one hand, the widespread nicotinamide-dependent oxidoreductases have not been utilized for single-electron-transfer-induced bimolecular cross-couplings; on the other, the addition of catalytic asymmetric radical conjugate to terminal alkenes remains a challenge owing to strong racemic background reaction and unselective termination of prochiral radical species. Here we report a chemomimetic biocatalysitic approach for construction of alpha-carbonyl stereocentres via an unnatural intermolecular conjugate addition of N-(acyloxy)phthalimides-derived radicals with acceptor-substituted terminal alkenes, by combination of visible-light excitation and nicotinamide-dependent ketoreductases (KREDs). Based on protein crystal structure, we engineered KREDs via a semi-rational mutagenesis strategy to improve reaction outcomes with a small and high-quality variants library. Mechanistic investigations combining wet experiments, crystallographic studies and computational simulations demonstrate that the repurposed biocatalyst can suppress racemic background reaction and unselected side reactions, yielding enantioselectivity that is challenging to achieve by chemocatalysis.

Catalysis↗

SO(3)-invariance of informed-graph-based deep neural network for anisotropic elastoplastic materials

This work examines the frame-invariance (and the lack thereof) exhibited in simulated anisotropic elasto-plastic responses generated from supervised machine learning of classical multi-layer and informed-graph-based neural networks, and proposes different remedies to fix this drawback. The inherent hierarchical relations among physical quantities and state variables in an elasto-plasticity model are first represented as informed, directed graphs, where three variations of the graph are tested. While feed-forward neural networks are used to train path-independent constitutive relations (e.g., elasticity), recurrent neural networks are used to replicate responses that depends on the deformation history, i.e. or path dependent. In dealing with the objectivity deficiency, we use the spectral form to represent tensors and, subsequently, three metrics, the Euclidean distance between the Euler Angles, the distance from the identity matrix, and geodesic on the unit sphere in Lie algebra, can be employed to constitute objective functions for the supervised machine learning. In this, the aim is to minimize the measured distance between the true and the predicted 3D rotation entities. Following this, we conduct numerical experiments on how these metrics, which are theoretically equivalent, may lead to differences in the efficiency of the supervised machine learning as well as the accuracy and robustness of the resultant models. Neural network models trained with tensors represented in component form for a given Cartesian coordinate system are used as a benchmark. Our numerical tests show that, even given the same amount of information and data, the quality of the anisotropic elasto-plasticity model is highly sensitive to the way tensors are represented and measured. The results reveal that using a loss function based on geodesic on the unit sphere in Lie algebra together with an informed, directed graph yield significantly more accurate rotation prediction than the other tested approaches.

42 ENGINEERING↗

Elucidating texture and grain morphology contributions to the micromechanical response of additively manufactured Inconel 625

Microstructural variation of additively manufactured (AM) metal components in comparison to wrought counterparts makes certification for critical applications a challenge. Microscale simulations leveraging modern computational tools may be used to supplement testing of AM microstructures, thus accelerating certification by reducing the number of experiments needed. However, as micromechanical response is closely tied to critical properties like fatigue-life and fracture, utilization of these simulations with macroscale experimental data alone is insufficient. One means to attain microscale experimental data is in situ diffraction data collected from synchrotron X-ray sources. In this work, such data were collected during in situ compression of AM Inconel 625 superalloy. Interpretation of experimental results was assisted by massive (8M element) complementary micromechanical simulations performed on sets of virtual microstructures generated using cellular automata. Together, micromechanical data from diffraction experiments and simulations were used to probe the effects of textured “track” microstructures generated during laser powder bed fusion and directional strength-to-stiffness on micromechanical response. Though fiber-averaged directional strength-to-stiffness ratios were expected to dominate given the high elastic anisotropy of the material, the combination of small variations in texture and specific grain configurations unique to AM microstructures lead to significant variability in micromechanical response after yield. The findings emphasize the importance of high-fidelity microstructural representation that captures key texture components and AM-specific morphology for property prediction of AM metals.

36 MATERIALS SCIENCE↗