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At least 19 records

Development and Application of Interatomic Potentials for Ultra High Temperature Ceramics (UHTC): ZrB2 and HfB2

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 are characterized by high melting point, good strength, and reasonable oxidation resistance. These materials are of interest for use as sharp leading edges for hypersonic vehicles among other applications. Progress in computational modeling of UHTCs has been limited in part due to the absence of suitable interatomic potentials. We present a Tersoff style parameterization of such potentials for ZrB2 and HfB2 appropriate for atomistic simulations. Parameters are fit to data generated from ab initio calculations. The accuracy of the potentials is assessed against further ab initio data. As a first non ]trivial application, molecular dynamics simulations are performed to evaluate the thermal conductivity of single crystals and the thermal resistance of high symmetry grain boundaries.

Lawson, John W.↗

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 are candidate materials for applications in extreme environments because of their high melting point, good mechanical properties and reasonable oxidation resistance. Unlike many ceramics, these materials have high thermal conductivity which can be advantageous, for example, to reduce thermal shock. Recently, we developed Tersoff style interatomic potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current. Results at room temperature and at elevated temperatures will be reported.

Lawson, JOhn W.↗

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗

Ultra-High Temperature Ceramic (UHTC) Development

During the last decade, NASA Ames has been developing new, Ultra-High Temperature Ceramic (UHTC) materials for Thermal Protection Systems applications. The UHTC s are a family of materials including compositions of HfE32 and ZrB2 with a Sic second phase. A collaboration with Glenn was recently initiated to evaluate the viability of some UHTC materials that had been produced by an outside vendor for use in gas turbine en,@ne environments. Results from this collaboration have indicated that compositions based on HfB2 show the most promise, among the UHTC compositions evaluated, for use in these environments. Work at ARC has been initiated to fabricate these materials in-house and evaluate methods of improving their properties for use in engine environments.

Johnson, Sylvia↗

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Lawson, John W.↗

Multiscale Modeling of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2: Application to Lattice Thermal Conductivity

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Lawson, John W.↗

Alternative Processing Methods for Ultra High Temperature Ceramics

Ultra High Temperature Ceramics (UHTCs) are being developed for possible use in a number of structural applications including hypersonic vehicles, engines, plasma arc electrodes and high temperature shielding. Alternative methods of processing Ultra High Temperature Ceramics (UHTCs) will be discussed. Techniques that may improve oxidation resistance, strength, and reduce the processing temperature of the UHTCs will be presented. Hot-pressed UHTCs made using either milled/uncoated powders or non-milled coated powders will be compared.

Gusman, Michael↗

Microstructure of Matrix in UHTC Composites

Approaches to controlling the microstructure of Ultra High Temperature Ceramics (UHTCs) are described.. One matrix material has been infiltrated into carbon weaves to make composite materials. The microstructure of these composites is described.

Johnson, Sylvia↗

Composites Based on UHTCs

Considerable progress has been made in developing ultra high temperature ceramics (UHTCs) for aerospace applications. A serious issue hindering the eventual use of these materials is their fracture toughness. The formation of composites from these materials is being developed by various researchers. We have been using preceramic polymers to explore techniques to make composites form both 2 d and 3 dimensional woven fibers. The focus of this effort is on the development of microstructure rather than on the development of a robust composite. This talk will discuss the issues with the materials and composite, and approaches to controlling microstructure and the development of matrices in UHTC composites

Johnson, Sylvia M.↗

Multiscale Modeling of UHTC: Thermal Conductivity

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Lawson, John W.↗

Design and Analysis of UHTC Leading Edge Attachment

NASA Glenn Research Center was contacted to provide technical support to NASA Ames Research Center in the design and analysis of an ultra high temperature ceramic (UHTC) leading edge. UHTC materials are being considered for reusable launch vehicles because their high temperature capability may allow for un-cooled sharp leading edge designs. While ceramic materials have the design benefit of allowing subcomponents to run hot, they also provide a design challenge in that they invariably must be in contact with cooler subcomponents elsewhere in the structure. NASA Glenn Research Center proposed a modification to an existing attachment design. Thermal and structural analyses of the leading edge assembly were carried out using ABAQUS finite element software. Final results showed that the proposed modifications aided in thermally isolating hot and cold subcomponents and reducing bearing stresses at the attachment location.

Thomas, David J.↗

Development of Processing Techniques for Advanced Thermal Protection Materials

During the period June 1, 1996 through May 31, 1997, the main effort has been in the development of materials for high temperature applications. Thermal Protection Systems (TPS) are constantly being tested and evaluated for thermal shock resistance, high temperature dimensional stability, and tolerance to environmental effects. Materials development was carried out by using many different instruments and methods, ranging from intensive elemental analysis to testing the physical attributes of a material. The material development concentrated on two key areas: (1) development of coatings for carbon/carbon composites, and (2) development of ultra-high temperature ceramics (UHTC). This report describes the progress made in these two areas of research during this contract period.

Selvaduray, Guna↗

SHARP-B2: Flight Test Objectives, Project Implementation and Initial Results

On September 28, 2000 the SHARP-B2 flight experiment was launched from Vandenberg Air Force Base, California. SHARP-B2 is the 2nd Ballistic flight test in the SHARP (Slender Hypervelocity Aerothermodynamic Research Probes) program which develops and tests new thermal protection materials and sharp body concepts. The flight tested Ultra-High Temperature Ceramics (UHTCs), which may radically change the design and performance of future aerospace vehicles. The new designs may overturn an age-old tenet of aerodynamics: that blunt-body aerospace vehicles, but not those with sharp leading edges, can survive the searing temperatures created as the vehicles tear through the atmosphere. Sharp leading edges offer numerous advantages over the blunt-body design currently in use. They could allow a space shuttle or crew return vehicle to maneuver in space more like an airplane and potentially allow astronauts to return to Earth from anywhere on orbit. They may allow improved astronaut safety by decreasing the risk of aborting into the ocean. They may reduce the electromagnetic interference that causes the communications blackouts that plague reentering blunt-body space vehicles. Reducing the amount of drag could lead to a reduction in propulsion requirements. Planetary probes could make use of sharp-body technology for aerobraking and to maximize their maneuvering capability. SHARP-B2 was a joint effort among NASA Ames, Sandia National Laboratories, the U.S. Air Force and the U.S. Army. It was funded by the Pathfinder Program at NASA's Marshall Space Flight Center. The SHARP-B2 payload was carried aboard a U.S. Air Force Minuteman III missile carrying a modified Mk 12A reentry vehicle (RV), which blasted off from Vandenberg Air Force Base near Lompoc, CA, at 3:01 a.m. PDT on Sept. 28. The RV was equipped with four 5. 1 inch-long strakes, or sharp leading edges. Each strake contained three UHTCs: ZrB2/SiC/C; ZrB2/SiC; and HfB2/SiC. Once it reached an altitude of about 400 nautical miles, the RV was released, returning through Earth's atmosphere at speeds exceeding Mach 22. One pair of strakes was designed to retract just before reaching temperatures high enough to cause the material to begin ablating. The other pair was designed to retract shortly after ablation began, at an expected temperature of nearly 5,100 degrees Fahrenheit. Sensors in the strakes measured how closely performance matched pre-flight calculations, and data was successfully collected throughout the 23-minute flight. A parachute was deployed (but not fully inflated) and the RV splashed down in a lagoon at the Kwajalein missile range in the Pacific Ocean. Within 3 hours radar track analysis showed ocean entry to be precisely at the latitude/longitude coordinates estimated during pre-flight simulation. An hour later a ship was deployed by the Army to recover the reentry vehicle, which was recovered in 165 feet of water, just 500 feet from its planned splash-down point. This is the first RV recovery in over a decade.

Salute, Joan↗

Composites: Processing and Fabrication Methodologies of Nonoxide Ceramic Composites. Processing HfB2 Composites for Use in Extreme Environments

HfB2 and ZrB2 composites containing SiC are known to have good thermal shock and configurational stability at elevated temperatures. These are promising ultra-high temperature ceramics (UHTCs) for use on the sharp leading edges of next generation space vehicles. Sharp leading edges on these vehicles will need to: withstand repeated exposures to temperatures > 2200 C in oxidizing environments; have good thermal shock and ablation resistance; and withstand the mechanical stress of launch and reentry. The HfB2/SiC composite is currently undergoing processing improvements in an effort to better the performance of a material that has been studied for approx. 35 years. The potential for HfB2/SiC composites to meet the requirements of hypersonic flight depends on controlling processing techniques. This presentation will focus on understanding processing steps now being undertaken to optimize the material properties of HfB2/SiC composites at NASA Ames Research Center. Correlation between processing techniques and microstructure will be shown. Preliminary oxidation studies will also be discussed.

Gusman, Michael I.↗

Evaluation of Ultra-High Temperature Ceramics for Aeropropulsion Use

Among the ultra-high temperature ceramics (UHTC) are a group of materials consisting of zirconium diboride or hafnium diboride plus silicon carbide, and in some instances, carbon. These materials offer a good combination of properties that make them candidates for airframe leading edges on sharp-bodied reentry vehicles. These UHTC perform well in the environment for such applications, i.e., air at low pressure. The purpose of this study was to examine three of these materials under conditions more representative of a propulsion environment, i.e., higher oxygen partial pressure and total pressure. Results of strength and fracture toughness measurements, furnace oxidation and high velocity thermal shock exposures are presented for ZrB2 plus 20 volume % SiC, ZrB2 plus 14 volume % SiC plus 30 volume % C, and SCS-9a SiC fiber reinforced ZrB2 plus 20 volume % SiC. The poor oxidation resistance of UHTCs is the predominant factor limiting their applicability to propulsion applications.

Levine, Stanley R.↗

Sharp Hypervelocity Aerodynamic Research Probe

The objective of this flight demonstration is to deploy a slender-body hypervelocity aerodynamic research probe (SHARP) from an orbiting platform using a tether, deorbit and fly it along its aerothermal performance constraint, and recover it intact in mid-air. To accomplish this objective, two flight demonstrations are proposed. The first flight uses a blunt-body, tethered reentry experiment vehicle (TREV) to prove out tethered deployment technology for accurate entries, a complete SHARP electronics suite, and a new soft mid-air helicopter recovery technique. The second flight takes advantage of this launch and recovery capability to demonstrate revolutionary sharp body concepts for hypervelocity vehicles, enabled by new Ultra-High Temperature Ceramics (UHTCs) recently developed by Ames Research Center. Successful demonstration of sharp body hypersonic vehicle technologies could have radical impact on space flight capabilities, including: enabling global reentry cross range capability from Station, eliminating reentry communications blackout, and allowing new highly efficient launch systems incorporating air breathing propulsion and zeroth staging.

Bull, Jeffrey↗

The NASA Sharp Flight Experiment

The Slender Hypersonic Aerothermodynamic Research Program (SHARP) was initiated by NASA Ames, and executed in partnership with Sandia National Laboratory and the US Air Force, to demonstrate sharp, passive leading edge designs for hypersonic vehicles, incorporating new ultra-high temperature ceramics (UHTC's). These new ceramic composites have been undergoing development, characterization and ground testing at NASA Ames for the last nine years. This paper will describe the background, flight objectives, design and pertinent flight results of SHARP, and some of the potential implications for future hypersonic vehicle designs.

Rasky, Daniel J.↗