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ICME for NASA Aerospace Applications: Batteries for Electric Aviation

NASA’s approach to computational materials modeling is detailed in the NASA Vision 2040 Roadmap for Multiscale Modeling and Simulation of Materials and Systems. This report is in the spirit of national initiatives such as the Material Genome Initiative (MGI), Integrated Computational Materials Engineering (ICME), and others. We utilize a combination of fundamental modeling, computational high-throughput screening, and data science methods, e.g., machine learning, are used to find innovative solutions to NASA or national technology challenges. Applications of interest are wide ranging from advanced alloys to batteries to coatings, among others. In this talk, we present three examples for recent work related to NASA applications. First, doping advanced sulfur battery cathodes with selenium boosts electrical conductivity important for electric aircraft applications. First principles calculations will be discussed that result in compositional design maps for these materials. Second, development of icephobic coatings is important to mitigate safety hazards associated with icing for aircraft. Molecular dynamics simulations are reported for ice-surface interfaces to understand adhesion mechanisms and help screen optimal ice-phobic coatings. Third, shape memory alloys have numerous applications as actuators, superelastic materials, etc. for aerospace. We report machine learning models that predict martensitic transition temperatures across a broad swath of compositional space.

John Lawson↗

NASA BPS Reduced Gravity Integrated Computational Materials Engineering (ICME) Study

The Biological and Physical Sciences (BPS) Division of NASA’s Science Mission Directorate (SMD), and its predecessors, has sponsored extensive flight and ground experiments yielding benchmark datasets in many materials science research areas including thermophysical properties and solidification microstructure formation and evolution. The subject study sought to motivate and focus BPS’s engagement within the broader Integrated ICME community to understand the phenomena underlying material processing, structure, and properties in the microgravity environment of space and to support future space exploration efforts.

Louise Littles↗

Introduction

It would be hard to argue against the fact that Integrated Computational Materials Engineering (ICME) is a fast growing discipline within material science and engineering. A quick scan of the proceedings from conferences such as Aeromat, Material Science and Technology, and the TMS Annual Meeting clearly shows it. What began a few years ago as one symposium has grown into multiple ICME related symposia at each of these conferences. As encouraging as the number of symposia being offered is the attendance at the symposia. For example, one of the ICME symposia at MS&T 10, the symposium in which this book is based, had five sessions which culminated in a panel discussion that was standing room only. In addition to the large, annual materials science and engineering conferences, smaller 1 to 2-day conferences/workshops sponsored by government agencies (e.g. AFRL and NIST) on specific aspects of ICME and by universities promoting their ICME work are regularly offered. And arguably the most significant news with regards to ICME and conferences is the July 2011 First World Congress on ICME. This five day TMS sponsored conference, specifically focused on ICME with an international advisory board of ICME leaders, shows how far ICME has spread across the globe. Evidence for the growth of ICME can also be found in Academia. The University Materials Council (UMC) is composed of department heads for material science and engineering from major U.S. and Canadian universities. Meeting twice a year to share best practices in order to strengthen both the engineering content [1] and the educational process, the UMC s agenda for their Spring 2010 meeting was dedicated to ICME [2]. This meeting was held in response to the growing awareness that the universities play a major role in the success of ICME and therefore need to develop ICME curriculum in order to meet that need. To aid educators in the development of ICME courses, NSF is funding a "Summer School" on ICME to be held at the University of Michigan in 2011 [3]. Northwestern University recently announced a MS Certificate Program in ICME [4]. Course work for this certificate begins in the Fall of 2011. Other signs that ICME is growing comes from the formation of ICME initiatives from work that did not start off with ICME in mind. One of the committees in ASM International is the Materials Properties Database Committee (MPDC). In the 2010 meeting of the MPDC, based on a study by ASM, the committee decided that it would create an ICME sub-committee in order to determine how ASM can meet the growing needs of the ICME community [5]. In 1999, the Air Force Research Laboratory (AFRL) created a consortium, the Metals Affordability Initiative (MAI), with members from both industry and government with a goal of reducing the cost and time to market of producing metal parts for aerospace applications [6].

Arnold, Steven M.↗

Identification of Interplanetary Coronal Mass Ejections at 1 AU Using Multiple Solar Wind Plasma Composition Anomalies

We investigate the use of multiple simultaneous solar wind plasma compositional anomalies, relative to the composition of the ambient solar wind, for identifying interplanetary coronal mass ejection (ICME) plasma. We first summarize the characteristics of several solar wind plasma composition signatures (O(+7)/O(+6), Mg/O, Ne/O, Fe charge states, He/p) observed by the ACE and WIND spacecraft within the ICMEs during 1996 - 2002 identsed by Cane and Richardson. We then develop a set of simple criteria that may be used to identify such compositional anomalies, and hence potential ICMEs. To distinguish these anomalies from the normal variations seen in ambient solar wind composition, which depend on the wind speed, we compare observed compositional signatures with those 'expected' in ambient solar wind with the same solar wind speed. This method identifies anomalies more effectively than the use of fixed thresholds. The occurrence rates of individual composition anomalies within ICMEs range from approx. 70% for enhanced iron and oxygen charge states to approx. 30% for enhanced He/p (> 0.06) and Ne/O, and are generally higher in magnetic clouds than other ICMEs. Intervals of multiple anomalies are usually associated with ICMEs, and provide a basis for the identification of the majority of ICMEs. We estimate that Cane and Richardson, who did not refer to composition data, probably identitied approx. 90% of the ICMEs present. However, around 10% of their ICMEs have weak compositional anomalies, suggesting that the presence of such signatures does not provide a necessary requirement for an ICME. We note a remarkably similar correlation between the Mg/O and O(7)/O(6) ratios in hourly-averaged data both within ICMEs and the ambient solar wind. This 'universal' relationship suggests that a similar process (such as minor ion heating by waves inside coronal magnetic field loops) produces the first-ionization potential bias and ion freezing-in temperatures in the source regions of both ICMEs and the ambient solar wind.

Richardson, I. G.↗

Geoeffectiveness (D (sub st) and K (sub p)) of Interplanetary Coronal Mass Ejections During 1995-2009 and Implications for Storm Forecasting

We summarize the geoeffectiveness (based on the Dst and Kp indices) of the more than 300 interplanetary coronal mass ejections (ICMEs) that passed the Earth during 1996-2009, encompassing solar cycle 23. We subsequently estimate the probability that an ICME will generate geomagnetic activity that exceeds certain thresholds of Dst or Kp, including the NOAA "G" storm scale, based on maximum values of the southward magnetic field component (Bs), the solar wind speed (V), and the y component (Ey) of the solar wind convective electric field E = -V x B, in the ICME or sheath ahead of the ICME. Consistent with previous studies, the geoeffectiveness of an ICME is correlated with Bs or Ey approx.= VBs in the ICME or sheath, indicating that observations from a solar wind monitor upstream of the Earth are likely to provide the most reliable forecasts of the activity associated with an approaching ICME. There is also a general increase in geoeffectiveness with ICME speed, though the overall event-to-event correlation is weaker than for Bs and Ey. Nevertheless, using these results, we suggest that the speed of an ICME approaching the Earth inferred, for example, from routine remote sensing by coronagraphs on spacecraft well separated from the Earth or by all-sky imagers, could be used to estimate the likely geoeffectiveness of the ICME (our "comprehensive" ICME database provides a proxy for ICMEs identified in this way) with a longer lead time than may be possible using an upstream monitor

Richardson, I. G.↗

Comparative Analysis of the 2020 November 29 Solar Energetic Particle Event Observed by Parker Solar Probe

We analyze two specific features of the intense solar energetic particle (SEP) event observed by Parker Solar Probe (PSP) between 2020 November 29 and 2020 December 2. The interplanetary counterpart of the coronal mass ejection (CME) on 2020 November 29 that generated the SEP event (hereafter ICME-2) arrived at PSP (located at 0.8 au from the Sun) on 2020 December 1. ICME-225 was preceded by the passage of an interplanetary shock at 18:35 UT on 2020 November 30 (hereafter26S2), that in turn was preceded by another ICME (i.e., ICME-1) observed in situ on 2020 November 30. The two interesting features of this SEP event at PSP are: First, the presence of the intervening ICME-1 affected the evolution of the.8 MeV proton intensity time profiles resulting in the observation of inverted energy spectra throughout the passage of ICME-1. Second, the sheath region preceding ICME-2 was characterized by weak magnetic fields compared to those measured immediately after the passage of the shock S2 and during the passage of ICME-2. Comparison with prior SEP events measured at 1 au but with similar characteristics indicates that (1) low-energy particles accelerated by S2 were excluded from propagating throughout ICME-1, and (2) the low magnetic fields measured in the sheath of ICME-2 resulted from the properties of the upstream solar wind encountered by ICME-2 that was propagated into the sheath; whereas the high energetic particle energy density in the sheath did not play a dominant role in the formation of these low magnetic fields.

D Lario↗

Magnetic Field-Line Lengths in Interplanetary Coronal Mass Ejections Inferred from Energetic Electron Events

About one quarter of the observed interplanetary coronal mass ejections (ICMEs) are characterized by enhanced magnetic fields that smoothly rotate in direction over timescales of about 10-50 hr. These ICMEs have the appearance of magnetic flux ropes and are known as "magnetic clouds" (MCs). The total lengths of MC field lines can be determined using solar energetic particles of known speeds when the solar release times and the I AU onset times of the particles are known. A recent examination of about 30 near-relativistic (NR) electron events in and near 8 MCs showed no obvious indication that the field-line lengths were longest near the MC boundaries and shortest at the MC axes or outside the MCs, contrary to the expectations for a flux rope. Here we use the impulsive beamed NR electron events observed with the Electron Proton and Alpha Monitor instrument on the Advanced Composition Explorer spacecraft and type III radio bursts observed on the Wind spacecraft to determine the field-line lengths inside ICMEs included in the catalog of Richardson & Cane. In particular, we extend this technique to ICMEs that are not MCs and compare the field-line lengths inside MCs and non-MC ICMEs with those in the ambient solar wind outside the ICMEs. No significant differences of field-line lengths are found among MCs, ICMEs, and the ambient solar wind. The estimated number of ICME field-line turns is generally smaller than those deduced for flux-rope model fits to MCs. We also find cases in which the electron injections occur in solar active regions CARs) distant from the source ARs of the ICMEs, supporting CME models that require extensive coronal magnetic reconnection with surrounding fields. The field-line lengths are found to be statistically longer for the NR electron events classified as ramps and interpreted as shock injections somewhat delayed from the type III bursts. The path lengths of the remaining spike and pulse electron events are compared with model calculations of solar wind field-line lengths resulting from turbulence and found to be in good agreement.

Kahler, S. W.↗

STEREO Observations of Interplanetary Coronal Mass Ejections in 2007-2016

We have conducted a survey of 341 interplanetary coronal mass ejections (ICMEs) using STEREO A/B data, analyzing their properties while extending a Level 3 product through 2016. Among the 192 ICMEs with distinguishable sheath region and magnetic obstacle, the magnetic field maxima in the two regions are comparable, and the dynamic pressure peaks mostly in the sheath. The north/south direction of the magnetic field does not present any clear relationship between the sheath region and the magnetic obstacle. About 71% of ICMEs are expanding at 1 au, and their expansion speed varies roughly linearly with their maximum speed except for ICMEs faster than 700 km/s. The total pressure generally peaks near the middle of the well-defined magnetic cloud (MC) passage, while it often declines along with the non-MC ICME passage, consistent with our previous interpretation concerning the effects of sampling geometry on what is observed. The hourly average iron charge state reaches above 12+ approx. 31% of the time for MCs, approx. 16% of the time for non-MC ICMEs, and approx. 1% of the time for non- ICME solar wind. In four ICMEs abrupt deviations of the magnetic field from the nominal field rotations occur in the magnetic obstacles, coincident with a brief drop or increase in field strength-features could be related to the interaction with dust. In comparison with the similar phases of solar cycle 23, the STEREO ICMEs in this cycle occur less often and are generally weaker and slower, although their field and pressure compressions weaken less than the background solar wind.

Jian, L. K.↗

On the Rates of Coronal Mass Ejections: Remote Solar and In Situ Observations

We compare the rates of coronal mass ejections (CMEs) as inferred from remote solar observations and interplanetary CMEs (ICMEs) as inferred from in situ observations at both 1 AU and Ulyssses from 1996 through 2004. We also distinguish between those ICMEs that contain a magnetic cloud (MC) and those that do not. While the rates of CMEs and ICMEs track each other well at solar minimum, they diverge significantly in early 1998, during the ascending phase of the solar cycle, with the remote solar observations yielding approximately 20 times more events than are seen at 1 AU. This divergence persists through 2004. A similar divergence occurs between MCs and non-MC ICMEs. We argue that these divergences are due to the birth of midlatitude active regions, which are the sites of a distinct population of CMEs, only partially intercepted by Earth, and we present a simple geometric argument showing that the CME and ICME rates are consistent with one another. We also acknowledge contributions from (1) an increased rate of high-latitude CMEs and (2) focusing effects from the global solar field. While our analysis, coupled with numerical modeling results, generally supports the interpretation that whether one observes a MC within an ICME is sensitive to the trajectory of the spacecraft through the ICME (i.e., an observational selection effect), one result directly contradicts it. Specifically, we find no systematic offset between the latitudinal origin of ICMEs that contain MCs at 1 AU in the ecliptic plane and that of those that do not.

Riley, Pete↗