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NASA Advanced Concepts Office, Earth-To-Orbit Team Design Process and Tools

The Earth-to-Orbit Team (ETO) of the Advanced Concepts Office (ACO) at NASA Marshall Space Flight Center (MSFC) is considered the pre-eminent "go-to" group for pre-phase A and phase A concept definition. Over the past several years the ETO team has evaluated thousands of launch vehicle concept variations for a significant number of studies including agency-wide efforts such as the Exploration Systems Architecture Study (ESAS), Constellation, Heavy Lift Launch Vehicle (HLLV), Augustine Report, Heavy Lift Propulsion Technology (HLPT), Human Exploration Framework Team (HEFT), and Space Launch System (SLS). The ACO ETO Team is called upon to address many needs in NASA's design community; some of these are defining extremely large trade-spaces, evaluating advanced technology concepts which have not been addressed by a large majority of the aerospace community, and the rapid turn-around of highly time critical actions. It is the time critical actions, those often limited by schedule or little advanced warning, that have forced the five member ETO team to develop a design process robust enough to handle their current output level in order to meet their customer's needs. Based on the number of vehicle concepts evaluated over the past year this output level averages to four completed vehicle concepts per day. Each of these completed vehicle concepts includes a full mass breakdown of the vehicle to a tertiary level of subsystem components and a vehicle trajectory analysis to determine optimized payload delivery to specified orbital parameters, flight environments, and delta v capability. A structural analysis of the vehicle to determine flight loads based on the trajectory output, material properties, and geometry of the concept is also performed. Due to working in this fast-paced and sometimes rapidly changing environment, the ETO Team has developed a finely tuned process to maximize their delivery capabilities. The objective of this paper is to describe the interfaces between the three disciplines used in the design process: weights and sizing, trajectory, and structural analysis. The tools used to perform such analysis are INtegrated Rocket Sizing (INTROS), Program to Optimize Simulated Trajectories (POST), and Launch Vehicle Analysis (LVA) respectively. The methods each discipline uses to streamline their particular part of the design process will also be discussed.

Waters, Eric D.↗

Data Assimilation and Uncertainties in Early Solar Cycle Predictions

Stochastic nature of solar activity variations together with our limited knowledge of the dynamo mechanism and subsurface dynamics causes uncertainty in predictions of the solar cycle. For improving the physics-­‐based predictions we can take advantage of the mathematical data assimilation approach that allows us to take into account both, observational errors and model uncertainties, and provide estimates of the next solar cycle along with prediction uncertainties. In this study we use the Parker's migratory dynamo model together with the equation of magnetic helicity balance, which reproduces main properties of the sunspot cycles and allow us to minimize discrepancies between the observed global activity variations and the model solution. The test simulation runs show that a reliable prediction can be obtained for two phases of preceding solar cycle: 1) if the polar field reversals shortly after the solar maxima (strong toroidal field and weak poloidal field), and 2) during the solar minima (strongest poloidal and weak toroidal fields). The early estimate of Cycle 25 obtained by this method shows that this cycle will start in 2019 – 2020, reach the maximum in 2023 – 2024, and that the mean sunspot number at the maximum will be about 90 (for the v2.0 sunspot number series).

Data Assimilation↗

Individual Wave Detection and Tracking within a Rotating Detonation Engine through Computer Vision Object Detection applied to High-Speed Images

Known for their simplistic design and continuous detonation, rotating detonation engines (RDEs) constitute a majority of current pressure gain combustion (PGC) research efforts. Experimental RDE operation times have been continuously extended through the use of rig cooling techniques. As the window of observable behavior is expanded, and as the technology matures toward eventual integration within gas turbines, monitoring techniques must evolve to better match industrial diagnostics. High-speed image analysis techniques prove useful to capture and evaluate the unsteady detonation behavior within the RDE. Traditional image analysis techniques, however, require extensive processing times which prohibit simultaneous monitoring. To better address this problem, a computer vision object detection methodology is proposed to quickly detect individual detonation waves within a single down-axis image. Detonation waves are detected in individual images by the implemented computer vision method You Only Look Once (YOLO) object detection network. In order to detect detonation waves, the network must first be trained using RDE images of interest, for which each required phase of network development is outlined. Detection of waves is improved through proper treatment of the collected image set, variation of Intersection over Union (IoU) and confidence thresholding, and through a parametric study of annotation dimensions. Each detected wave is described by its location and rotational direction, and locations are tracked to calculate wave velocity across each frame, leading to a timestep resolution of 20 µs. Wave velocities are also calculated through a series of frames, leading to a suitable average velocity estimation using as few as 10 frames. Uncertainty analysis accounting for variation in camera framerate, pixel width and annotation centroid locations estimates a total uncertainty of ±4.3% for velocity calculations, using the smallest annotation boxes. This method offers great reductions in processing times, as a step toward real-time monitoring of detonation waves within an RDE. Improving on previous studies, this technique is impartial to wave modes not included in the original training set and calculates wave velocities independent of high-speed pressure data. The ability to isolate waves within predicted bounding boxes will likely facilitate analysis of pixel intensity variation as an estimation of wave strength in future work.

Johnson, Kristyn↗

Research Activities at Plasma Research Laboratory at NASA Ames Research Center

In order to meet NASA's requirements for the rapid development and validation of future generation electronic devices as well as associated materials and processes, enabling technologies are being developed at NASA-Ames Research Center using a multi-discipline approach. The first step is to understand the basic physics of the chemical reactions in the area of plasma reactors and processes. Low pressure glow discharges are indispensable in the fabrication of microelectronic circuits. These plasmas are used to deposit materials and also etch fine features in device fabrication. However, many plasma-based processes suffer from stability and reliability problems leading to a compromise in performance and a potentially increased cost for the semiconductor manufacturing industry. Although a great deal of laboratory-scale research has been performed on many of these processing plasmas, little is known about the gas-phase and surface chemical reactions that are critical in many etch and deposition processes, and how these reactions are influenced by the variation in operating conditions. Such a lack of understanding has hindered the development of process models that can aid in the scaling and improvement of plasma etch and deposition systems. Our present research involves the study of such plasmas. An inductively-coupled plasma (ICP) source in place of the standard upper electrode assembly of the Gaseous Electronics Conference (GEC) radio-frequency (RF) Reference Cell is used to investigate the discharge characteristics. This ICP source generates plasmas with higher electron densities and lower operating pressures than obtainable with the original parallel-plate version of the GEC Cell. This expanded operating regime is more relevant to new generations of industrial plasma systems being used by the microelectronics industry. The research goal is to develop an understanding of the physical phenomena involved in plasma processing and to measure much needed fundamental parameters, such as gas phase and surface reaction rates, species concentration, temperature, ion energy distribution, and electron number density.

Sharma, S. P.↗

In situ characterization of metastable Pb3O5 and Pb2O3 phases during thermal decomposition of PbO2 to PbO

Nonstoichiometric lead oxides play a key role in the formation and cycling of the positive electrodes in a lead acid battery. These phases have been linked to the underutilization of the positive active material but also play a key role in the battery’s cycle life, providing inter-particle adhesion and the connection to the underlying lead grid. Similar phases have previously been identified by mass loss or color change during thermal annealing of PbO2 to PbO, suggesting that at least two intermediate PbOx phases exist. Using multiple in situ analysis techniques (powder diffraction, x-ray absorption, x-ray photoelectron spectroscopy) and ex situ nuclear magnetic resonance measurements, the structural conversion and changes in the lead oxidation states were identified during this process. Isolation of the PbOx phases enabled confirmation of Pb3O5 and Pb2O3 by diffraction and the first 207Pb NMR measurement of these intermediates.

Kinnibrugh, Tiffany L.↗

On Holo-Hilbert Spectral Analysis: A Full Informational Spectral Representation for Nonlinear and Non-Stationary Data

The Holo-Hilbert spectral analysis (HHSA) method is introduced to cure the deficiencies of traditional spectral analysis and to give a full informational representation of nonlinear and non-stationary data. It uses a nested empirical mode decomposition and Hilbert-Huang transform (HHT) approach to identify intrinsic amplitude and frequency modulations often present in nonlinear systems. Comparisons are first made with traditional spectrum analysis, which usually achieved its results through convolutional integral transforms based on additive expansions of an a priori determined basis, mostly under linear and stationary assumptions. Thus, for non-stationary processes, the best one could do historically was to use the time- frequency representations, in which the amplitude (or energy density) variation is still represented in terms of time. For nonlinear processes, the data can have both amplitude and frequency modulations (intra-mode and inter-mode) generated by two different mechanisms: linear additive or nonlinear multiplicative processes. As all existing spectral analysis methods are based on additive expansions, either a priori or adaptive, none of them could possibly represent the multiplicative processes. While the earlier adaptive HHT spectral analysis approach could accommodate the intra-wave nonlinearity quite remarkably, it remained that any inter-wave nonlinear multiplicative mechanisms that include cross-scale coupling and phase-lock modulations were left untreated. To resolve the multiplicative processes issue, additional dimensions in the spectrum result are needed to account for the variations in both the amplitude and frequency modulations simultaneously. HHSA accommodates all the processes: additive and multiplicative, intra-mode and inter-mode, stationary and nonstationary, linear and nonlinear interactions. The Holo prefix in HHSA denotes a multiple dimensional representation with both additive and multiplicative capabilities.

Huang, Norden E.↗

Large cosmic ray transient decreases observed in the heliosphere at the Earth, Voyagers 1 and 2 and Pioneer 10 from 1987 to 1991

Using the greater than 70-MeV cosmic ray rate data from the Interplanetary Monitoring Platform (IMP), Voyager, and Pioneer spacecraft, we have examined the role of large transient decreases in the overall cosmic ray decrease from 1987 to 1990. At least 12 separate transient decreases with magnitudes greater than 5% were observed at Voyager 2, which moved from a heliocentric radius of approximately 23 to 35 AU during the time period. Many, but not all, of these decreases were observed at IMP 8 near the Earth and at the Pioneer 10 between 42 and 54 AU near the ecliptic plane. However, only five of these decreases were observed at Voyager 1 at north heliographic latitude approximately 30 deg and radial distance between 32 and 46 AU. The period of decreasing cosmic ray intensity from 1987 to 1990 can be divided into two phases. During phase 1, between mid-1987 and early 1989, the average heliospheric current sheet tilt rapidly increased from approximately 8 deg to 65 deg as the solar activity was also increasing rapidly and the intensity at the Earth decreased by about 35%. Four large transient decreases were observed at the Earth during this time; however, transient decreases beyond the Earth were observed only near the ecliptic plane. In phase 2, from early 1989 to mid-1990 when the intensity at the Earth decreased by an additional approximately 60%, five large transient decreases were observed at all latitudes. During this time the current sheet tilt was always greater than 60 deg. Using a procedure to separate these large transient decreases from any possible slower long-term variations, we argue that these decreases appear to be responsible for much of the overall intensity decrease of 20 - 35% observed at all spacecraft near the equatorial plane in phase 1 as well as most of the larger intensity decrease of about 45 - 60% observed at all spacecraft during phase 2. The recovery of the cosmic ray intensity that started at the Earth in early 1990 moved outward in the heliosphere reaching the Voyager and Pioneer spacecraft about 6 months later. This is in contrast to what happened as the intensity began to recover was observed to begin almost simultaneously at all radii less than 25 AU. This difference suggests that during the current cycle, the mechanism responsible for the recovery must have propagated outward from the Sun. This could have been related to the reversal of the solar polar magnetic field which occurred in early 1990. The effects of large transients propagating outward in the heliosphere and becoming ineffective when they reach the heliospheric boundary could not have played a major role in the onset of the recovery in 1990, since in this case the recovery should have been observed first in the outer heliosphere.

Webber, W. R.↗

XMM-Newton and Chandra Observations of the Galaxy Group NGC 5044: Evidence for Limited Multiphase Hot Gas - 1

Using new XMM and Chandra observations, we present an analysis of the temperature structure of the hot gas within a radius of 100 kpc of the bright nearby galaxy group NGC 5044. A spectral deprojection analysis of data extracted from circular annuli reveals that a two-temperature model (2T) of the hot gas is favored over single-phase or cooling flow (M = 4.5 +/- 0.2 solar mass/yr) models within the central approx.30 kpc. Alternatively, the data can be fitted equally well if the temperature within each spherical shell varies continuously from approx.T(sub h) to T(sub c) approx. T(sub h)/2, but no lower. The high spatial resolution of the Chandra data allows us to determine that the temperature excursion T(sub h) approaches T(sub c) required in each shell exceeds the temperature range between the boundaries of the same shell in the best-fitting single-phase model. This is strong evidence for a multiphase gas having a limited temperature range. We do not find any evidence that azimuthal temperature variations within each annulus on the sky can account for the range in temperatures within each shell. We provide a detailed investigation of the systematic errors on the derived spectral models considering the effects of calibration, plasma codes, bandwidth, variable NH, and background rate. We find that the RGS gratings and the EPIC and ACIS CCDs give fully consistent results when the same models are fitted over the same energy ranges for each instrument. The cooler component of the 2T model has a temperature (T(sub c) approx. 0.7 keV) similar to the kinetic temperature of the stars. The hot phase has a temperature (T(sub h) approx. 1.4 keV) characteristic of the virial temperature of the solar mass halo expected in the NGC 5044 group. However, in view of the morphological disturbances and X-ray holes visible in the Chandra image within R approx. equals 10 kpc, bubbles of gas heated to approx.T(sub h) in this region may be formed by intermittent AGN feedback. Some additional heating at larger radii may be associated with the evolution of the cold front near R approx. 50 kpc, as suggested by the sharp edge in the EPIC images. Subject headings: cooling flows - galaxies: formation - galaxies: halos - intergalactic medium - X-rays: galaxies: clusters

Buote, David A.↗

Containerless processing of undercooled melts

The investigation focused on the control of microstructural evolution in Mn-Al, Fe-Ni, Ni-V, and Au-Pb-Sb alloys through the high undercooling levels provided by containerless processing, and provided fundamental new information on the control of nucleation. Solidification analysis was conducted by means of thermal analysis, x-ray diffraction, and metallographic characterization on samples processed in a laboratory scale drop tube system. The Mn-Al alloy system offers a useful model system with the capability of phase separation on an individual particle basis, thus permitting a more complete understanding of the operative kinetics and the key containerless processing variables. This system provided the opportunity of analyzing the nucleation rate as a function of processing conditions and allowed for the quantitative assessment of the relevant processing parameters. These factors are essential in the development of a containerless processing model which has a predictive capability. Similarly, Ni-V is a model system that was used to study duplex partitionless solidification, which is a structure possible only in high under cooling solidification processes. Nucleation kinetics for the competing bcc and fcc phases were studied to determine how this structure can develop and the conditions under which it may occur. The Fe-Ni alloy system was studied to identify microstructural transitions with controlled variations in sample size and composition during containerless solidification. This work was forwarded to develop a microstructure map which delineates regimes of structural evolution and provides a unified analysis of experimental observations. The Au-Pb-Sb system was investigated to characterize the thermodynamic properties of the undercooled liquid phase and to characterize the glass transition under a variety of processing conditions. By analyzing key containerless processing parameters in a ground based drop tube study, a carefully designed flight experiment may be planned to utilize the extended duration microgravity conditions of orbiting spacecraft.

Perepezko, J. H.↗

Non-Solvent Induced Phase Separation Enables Designer Redox Flow Battery Electrodes

Porous carbonaceous electrodes are performance-defining components in redox flow batteries (RFBs), where their properties impact the efficiency, cost, and durability of the system. The overarching challenge is to simultaneously fulfill multiple seemingly contradictory requirements—i.e., high surface area, low pressure drop, and facile mass transport—without sacrificing scalability or manufacturability. Here, non-solvent induced phase separation (NIPS) is proposed as a versatile method to synthesize tunable porous structures suitable for use as RFB electrodes. The variation of the relative concentration of scaffold-forming polyacrylonitrile to pore-forming poly(vinylpyrrolidone) is demonstrated to result in electrodes with distinct microstructure and porosity. Tomographic microscopy, porosimetry, and spectroscopy are used to characterize the 3D structure and surface chemistry. Flow cell studies with two common redox species (i.e., all-vanadium and Fe2+/3+) reveal that the novel electrodes can outperform traditional carbon fiber electrodes. It is posited that the bimodal porous structure, with interconnected large (>50 µm) macrovoids in the through-plane direction and smaller (<5 µm) pores throughout, provides a favorable balance between offsetting traits. Although nascent, the NIPS synthesis approach has the potential to serve as a technology platform for the development of porous electrodes specifically designed to enable electrochemical flow technologies.

36 MATERIALS SCIENCE↗

Diffused morphotropic phase boundary in relaxor-PbTiO 3 crystals: High piezoelectricity with improved thermal stability

Solid solution ferroelectrics are the most widely used piezoelectric material for numerous electromechanical applications, including sensors, actuators, and transducers. A milestone in ferroelectric research is the discovery of the morphotropic phase boundary that was first reported in Pb(Zr x Ti 1–x )O 3 , which has been extensively solicited to improve the performance of various solid solution ferroelectrics, including those having the highest piezoelectricity known today. However, due to the inherent correlation between phase transition and thermodynamic imbalance, the efforts of building the phase boundary encounter the challenge that high performance materials are generally accompanied by property instability. In this paper, we report a comprehensive study on the crystalline symmetry and polar nano-regions in relaxor-PbTiO 3 crystals by synchrotron measurements and property characterizations. In contrast to the common belief that the morphotropic phase boundary is a narrow composition region, the morphotropic phase boundary in ternary Pb(In 1/2 Nb 1/2 )O 3 -Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 is demonstrated as an extensive region covering at least 9% of the PbTiO 3 content. Such a diffused morphotropic phase boundary is associated with the intensive interaction of polar nano-regions, leading to high piezoelectricity (>1500 pC/N) with greatly improved thermal stability, where the piezoelectric variation is ~90% over the temperature range of 273–373 K, which is about a factor of 3 lower compared to its binary counterpart Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 . This work sheds light on the fundamental understanding of nanoscale inhomogeneity and macroscopic symmetry in relaxor-PbTiO 3 , and successfully interlinks the structure and properties in complex solid solutions. The existence of a diffused morphotropic phase boundary is also expected to benefit other ferroic systems beyond ferroelectrics, such as ferromagnetic and multiferroic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

XTE J1946+274: An Enigmatic X-Ray Pulsar

XTE J1946+274 = GRO J1944+26 is a 15.8-s X-ray pulsar discovered simultaneously by the Rossi X-ray Timing Explorer (RXTE) and the Burst and Transient Source Experiment (BATSE) in September 1998. Follow-up optical/IR observations resulted in the discovery of a Be star companion. Our pulse timing analysis of BATSE and RXTE data indicates that the orbital period is approximately 169 days. Since its discovery in 1998, XTE J1946+274 has undergone 13 outbursts. These outbursts axe not regularly spaced. They occur approximately twice per orbit and are not locked in orbital phase, unlike most Be/X-ray transient systems. A possible explanation for this is a global-one armed oscillation or density perturbation propagating rapidly in the Be star's disk. We will investigate radial velocity variations in the central peak of the H-alpha line to look for evidence of such a perturbation. From 2001 March-September, we regularly monitored XTE J1946+274 with the RXTE PCA. We will demonstrate that the spectrum appears to be varying with orbital phase, based on the 2001 and 1998 RXTE PCA observations. We will also present histories of pulsed frequency and flux.

Wilson, Colleen A.↗

EuAuSb: An odd-parity helical variation of altermagnetism

EuAuSb is a triangular-lattice Dirac semimetal in which a topological Hall effect has been observed to develop in association with a magnetically ordered phase. Our single-crystal neutron diffraction measurements have identified an incommensurate helical order in which individual ferromagnetic Eu 2+ layers rotate in-plane by ∼ 120° from one layer to the next. An in-plane magnetic field distorts the incommensurate order, eventually leading to a first order transition to a state that is approximately commensurate and that is continuously polarized as the bulk magnetization approaches saturation. From an analysis of the magnetic diffraction intensities versus field, we find evidence for a dip in the ordered in-plane moment at the same field where the topological Hall effect is a maximum, and we propose that this is due to field-induced quantum spin fluctuations. Our electronic structure calculations yield exchange constants compatible with the helical order and show that the bands near the Fermi level lose their spin degeneracy via a mechanism similar to that in the collinear altermagnets. In conclusion, we find that, unlike the even symmetry seen in the altermagnets, the spin splitting in EuAuSb has odd-wave symmetry similar to that recently found in a number of coplanar magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Absolute Timing of the Crab Pulsar with RXTE

We have monitored the phase of the main X-ray pulse of the Crab pulsar with the Rossi X-ray Timing Explorer (RXTE) for almost eight years, since the start of the mission in January 1996. The absolute time of RXTE's clock is sufficiently accurate to allow this phase to be compared directly with the radio profile. Our monitoring observations of the pulsar took place bi-weekly (during the periods when it was at least 30 degrees from the Sun) and we correlated the data with radio timing ephemerides derived from observations made at Jodrell Bank. We have determined the phase of the X-ray main pulse for each observation with a typical error in the individual data points of 50 microseconds. The total ensemble is consistent with a phase that is constant over the monitoring period, with the X-ray pulse leading the radio pulse by 0.01025 plus or minus 0.00120 period in phase, or 344 plus or minus 40 microseconds in time. The error estimate is dominated by a systematic error of 40 microseconds, most likely constant, arising from uncertainties in the instrumental calibration of the radio data. The statistical error is 0.00015 period, or 5 microseconds. The separation of the main pulse and interpulse appears to be unchanging at time scales of a year or less, with an average value of 0.4001 plus or minus 0.0002 period. There is no apparent variation in these values with energy over the 2-30 keV range. The lag between the radio and X-ray pulses ma be constant in phase (i.e., rotational in nature) or constant in time (i.e., due to a pathlength difference). We are not (yet) able to distinguish between these two interpretations.

Rots, Arnold H.↗

Application of Phase Shifted, Laser Feedback Interferometry to Fluid Physics

We have combined the principles of phase-shifting interferometry (PSI) and laser-feedback interferometry (LFI) to produce a new instrument that can measure both optical path length (OPL) changes and discern sample reflectivity variations. In LFI, coherent feedback of the incident light either reflected directly from a surface or reflected after transmission through a region of interest will modulate the output intensity of the laser. LFI can yield a high signal-to-noise ratio even for low reflectivity samples. By combining PSI and LFI, we have produced a robust instrument, based upon a HeNe laser, with high dynamic range that can be used to measure either static (dc) or oscillatory changes along the optical path. As with other forms of interferometry, large changes in OPL require phase unwrapping. Conversely, small phase changes are limited by the fraction of a fringe that can be measured. We introduce the phase shifts with an electro-optic modulator (EOM) and use either the Carre or Hariharan algorithms to determine the phase and visibility. We have determined the accuracy and precision of our technique by measuring both the bending of a cantilevered piezoelectric bimorph and linear ramps to the EOM. Using PSI, sub-nanometer displacements can be measured. We have combined our interferometer with a commercial microscope and scanning piezoelectric stage and have measured the variation in OPL and visibility for drops of PDMS (silicone oil) on coated single crystal silicon. Our measurement of the static contact angle agrees with the value of 68 deg stated in the literature.

Ovryn, Ben↗

Sensitivity of the Mid-Winter Arctic Stratosphere to QBO Width in a Simplified Chemistry-Climate Model

In the stratosphere, equatorial winds continually alternate between easterly (westward) and westerly (eastward). This phenomenon is called the quasi-biennial oscillation (QBO). The average QBO cycle (Le. easterly to westerly to easterly) lasts approximately 27 months. Large-scale 'planetary' waves can only travel upward through the atmosphere when equatorial winds are westerly, and below a critical threshold. Thus, the amount of wave energy that reaches the middle atmosphere depends on the wind direction. When equatorial winds are easterly, wave energy is concentrated at higher latitudes, weakening the high-latitude eastward wind feature known as the 'polar jet' during the Northern Hemisphere winter season. Holton and Tan (1980) used atmospheric observations to show the dependence of the strength of the northern polar jet on the phase (easterly vs. westerly) of the QBO. This modeling study finds that the width of the quasi-biennial oscillation (QBO) varies from one cycle to the next, and that variation in QBO width may exert equal influence on the Arctic stratosphere as does the QBO wind direction. High latitude winds are weaker and ozone values are higher in a wide-QBO model simulation, as compared with a realistic simulation. This result implies that a relatively wider QBO acts like a preferential shift toward the easterly phase of the QBO.

Hurwitz, M. M.↗

On a nonlocal Cahn–Hilliard model permitting sharp interfaces

A nonlocal Cahn–Hilliard model with a non-smooth potential of double-well obstacle type that promotes sharp interfaces in the solution is presented. To capture long-range interactions between particles, a nonlocal Ginzburg–Landau energy functional is defined which recovers the classical (local) model as the extent of nonlocal interactions vanish. In contrast to the local Cahn–Hilliard problem that always leads to diffuse interfaces, the proposed nonlocal model can lead to a strict separation into pure phases of the substance. In this work, the lack of smoothness of the potential is essential to guarantee the aforementioned sharp-interface property. Mathematically, this introduces additional inequality constraints that, in a weak formulation, lead to a coupled system of variational inequalities which at each time instance can be restated as a constrained optimization problem. We prove the well-posedness and regularity of the semi-discrete and continuous in time weak solutions, and derive the conditions under which pure phases are admitted. Moreover, we develop discretizations of the problem based on finite element methods and implicit–explicit time-stepping methods that can be realized efficiently. Finally, we illustrate our theoretical findings through several numerical experiments in one and two spatial dimensions that highlight the differences in features of local and nonlocal solutions and also the sharp interface properties of the nonlocal model.

97 MATHEMATICS AND COMPUTING↗

Influence of Molybdenum on Rapid Solidification Microstructure and Microsegregation in Primary Ferrite Solidified Stainless Steel

Due to the widespread use and familiarity of austenitic stainless steels in many industries these alloys are often the first materials used when adapting new processing techniques. The rapid cooling and solidification rates that occur during fusion based additive manufacturing processes like powder bed fusion cause a fundamental shift in the solidification behavior of the material. While the effects that Cr and Ni have on the microstructure have been fairly well documented across a range of solidification conditions, the impact of alloying elements like Mo are not as well understood at rapid solidification rates. For this study, four custom stainless steel alloy feedstocks were made with targeted modification of the Cr and Mo concentrations to maintain a constant Cr/Ni eq ratio of ~1.7. Two-piston splat quenching was used to produce rapidly solidified samples and the solidification mode, phase, and cell size were investigated. Solidification rates were estimated to be between 0.4 and 1.5m/s. A comparison of the microsegregation and partitioning behavior of Cr, Ni and Mo in ferrite solidified material was also performed for the different alloy compositions. Variations of the Mo concentration between each feedstock showed no measurable influence on the solidification/cooling rates, solidification morphology, or the partitioning of Mo. Furthermore, higher concentrations of Mo were found to significantly increase the amount of ferrite phase in the microstructure by suppressing the ferrite to austenite massive transformation.

36 MATERIALS SCIENCE↗

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