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At least 163 records · Page 9

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

Here, we present a Lagrangian-based implementation of Ehrenfest dynamics with nuclear–electronic orbital (NEO) theory and real-time time-dependent density functional theory for extended periodic systems. In addition to a quantum dynamical treatment of electrons and selected protons, this approach allows for the classical movement of all other nuclei to be taken into account in simulations of condensed matter systems. Furthermore, we introduce a Lagrangian formulation for the traveling proton basis approach and propose new schemes to enhance its application for extended periodic systems. Validation and proof-of-principle applications are performed on electronically excited proton transfer in the o-hydroxybenzaldehyde molecule with explicit solvating water molecules. These simulations demonstrate the importance of solvation dynamics and a quantum treatment of transferring protons. This work broadens the applicability of the NEO Ehrenfest dynamics approach for studying complex heterogeneous systems in the condensed phase.

Calculus of variations↗

Energy conservation in real-time nuclear–electronic orbital Ehrenfest dynamics

Real-time nuclear–electronic orbital Ehrenfest (RT-NEO-Ehrenfest) dynamics methods provide a first-principles approach for describing nonadiabatic molecular processes with nuclear quantum effects. For an efficient description of proton transfer within RT-NEO-Ehrenfest dynamics, the basis function center associated with the quantum proton can be allowed to move classically. Here, this traveling proton basis (TPB) approach effectively captures proton quantum dynamics, although its energy conservation behavior is not yet fully satisfactory. Two recently proposed TPB approaches, in principle, conserve the extended energy, which includes both the system energy and the kinetic energy associated with the proton basis function center. Herein, a thermostatted TPB approach is proposed to improve the conservation of the system energy, excluding the kinetic energy associated with the proton basis function center. In this approach, the quantum proton dynamics are modulated by dynamically rescaling the proton momentum operator to maintain the system energy conservation. With the excited-state intramolecular proton transfer of o-hydroxybenzaldehyde as an example, this approach is shown to significantly improve the system energy conservation while preserving the accuracy of the quantum proton dynamics as achieved in the original TPB approach.

Ehrenfest dynamics↗

Four-dimensional QCD equation of state with multiple chemical potentials

Here, we construct a four-dimensional version of the equation of state (EoS) model neos, neos-4d, as a function of the temperature and chemical potentials of baryon, electric charge, and strangeness for the hot and dense quantum chromodynamics (QCD) matter created in relativistic nuclear collisions. This EoS enables multiple conserved charge current evolution in a relativistic fluid. Input from lattice QCD simulations and a hadron resonance gas model is considered for constructing the equation of state. We investigate its applicability to the relativistic hydrodynamic description of nuclear collisions and present a method for efficient numerical implementation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Evaluating Short-warning Mitigation via Intentional Robust Disruption of a Hypothetical Impact of Asteroid 2023 NT1

We investigate various short-warning mitigation scenarios via fragmentation for a hypothetical impact of asteroid 2023 NT1, a near-Earth object (NEO) that was discovered on 2023 July 15, two days after its closest approach to Earth on July 13. The asteroid passed by Earth within ∼0.25 lunar distances, with a closest approach of ∼1 × 10 5 km and a velocity of 11.27 km s −1 . Its size remains largely uncertain, with an estimated diameter range of 26–58 m and a most probable estimate of 34 m (JPL Sentry, 2023 September 15; weighted by the NEO size frequency distribution). If 2023 NT1 had collided with Earth, it could have caused significant local damage. Assuming a spherical asteroid with a diameter of 34 m, uniform density of 2.6 g cm −3 , and impact velocity of 15.59 km s −1 , a collision would have yielded an estimated impact energy of ∼1.5 Mt, approximately 3 times the energy of the Chelyabinsk airburst in 2013. We analyze the effectiveness of mitigation via intentional robust disruption for objects similar to 2023 NT1. We utilize Pulverize It (PI), a NASA Innovative Advanced Concepts study of planetary defense via fragmentation, to model potential mitigation scenarios through simulations of hypervelocity asteroid disruption and atmospheric ground effects in the case of a terminal defense mode. Simulations suggest that PI is an effective multimodal approach for planetary defense that can operate in extremely short interdiction modes, in addition to long interdiction timescales with extended warning. Our simulations support the proposition that threats like 2023 NT1 can be effectively mitigated with intercepts of 1 day (or less) prior to impact, yielding minimal to no ground damage.

Asteroids↗

Plate motions and deformations from geologic and geodetic data

Research effort on behalf of the Crustal Dynamics Project focused on the development of methodologies suitable for the analysis of space-geodetic data sets for the estimation of crustal motions, in conjunction with results derived from land-based geodetic data, neo-tectonic studies, and other geophysical data. These methodologies were used to provide estimates of both global plate motions and intraplate deformation in the western U.S. Results from the satellite ranging experiment for the rate of change of the baseline length between San Diego and Quincy, California indicated that relative motion between the North American and Pacific plates over the course of the observing period during 1972 to 1982 were consistent with estimates calculated from geologic data averaged over the past few million years. This result, when combined with other kinematic constraints on western U.S. deformation derived from land-based geodesy, neo-tectonic studies, and other geophysical data, places limits on the possible extension of the Basin and Range province, and implies significant deformation is occurring west of the San Andreas fault. A new methodology was developed to analyze vector-position space-geodetic data to provide estimates of relative vector motions of the observing sites. The algorithm is suitable for the reduction of large, inhomogeneous data sets, and takes into account the full position covariances, errors due to poorly resolved Earth orientation parameters and vertical positions, and reduces baises due to inhomogeneous sampling of the data. This methodology was applied to the problem of estimating the rate-scaling parameter of a global plate tectonic model using satellite laser ranging observations over a five-year interval. The results indicate that the mean rate of global plate motions for that interval are consistent with those averaged over several million years, and are not consistent with quiescent or greatly accelerated plate motions. This methodology was also used to provide constraints on deformation in the western U.S. using very long baseline interferometry observations over a two-year period.

Jordan, T. H.↗

The Mode 1 mechanical crack tip stress field in hyperelastic and incompressible materials

The finite deformation field of a plane strain Mode 1 crack in a hyperelastic and incompressible material was examined under the assumptions of small scale nonlinearity. Finite element analyses were performed for two different material laws, a Neo-Hookean material and a third order invariant of a Rivlin material. The numerical results for both materials were compared to the appropriate theoretical asymptotic solution. A local cavitation locus surrounding the crack tip was identified for the Neo-Hookean material. For the third order invariant Rivlin material, maximum values of the dominant stress component were found close to the surface of the crack, above and below the deformed crack tip.

Quigley, Claudia J.↗

Annals of the New York Academy of Sciences

The topics presented in this volume can be thought of as a continuation of those contained within the foundation volume, Hazards Due to Comets and Asteroids, which summarizes most of the preceding work in NEO's and serves as the ideal starting place for those seriously interested in NEO studies.

Remo, John L.↗

Impacts with the Earth and Jupiter

The Earth has been subject to impacts from comets and asteroids since its formation, and such impacts have played an important role in the evolution of life on our planet. We now recognize not only the historical role of impacts, but the contemporary hazard posed by such events. In the absence of a complete census of potentially threatening Earth-crossing asteroids or comets (called collectively Near Earth Objects, or NEOs), or even of a comprehensive current search program to identify NEOs, we can consider the hazard only from a probabilistic perspective. In general, the larger the object the greater the hazard, even when allowance is made for the infrequency of large impacts. Most of the danger to human life is associated with impacts by objects roughly 2 km or larger (energy greater than 1 million megatons), which can inject sufficient submicrometer dust into the atmosphere to produce a severe short-term global cooling with subsequent loss of crops, leading to starvation. Hazard estimates suggest that the chance of such an event occurring during a human lifetime is about 1:5000, and the global probability of death from such impacts is of the order of 1:20000, values that can be compared with risks associated with other natural hazards such as earthquakes, volcanic eruptions, and severe storms. The widely-observed impact of Comet Shoemaker-Levy 9 with Jupiter in July 1994 provides a graphic example of such an interplanetary collision and is stimulating worldwide interest in protecting our planet against cosmic impact catastrophes.

Morrison, David↗

Geodetic Results from Mark 4 VLBI

We present geodetic results of a series of 30 VLBI experiments recorded in Mark 4 mode at rates of 128 and 256 Mbps. The formal uncertainties of UT1, polar motion, and nutation offsets derived from these experiments are better than the corresponding uncertainties from NEOS-A experiments by a factor of 1.3-2. Baseline length repeatability for the series of 32 experiments over a period of one year is about 0.9 ppb. For comparison, NEOS-A length repeatability is about 1.4 ppb. We will discuss optimal use of Mark 4 in the design of future observing networks.

MacMillan, Daniel↗

Planetary Defense: Options for Deflection of Near Earth Objects

In FY 2002 a team of engineers and scientists at MSFC conducted a preliminary investigation of the options for deflecting a Near Earth Object (NEO) fiom a collision course with the earth. A general discussion of the current threat facing the earth from NEO s is outlined. A suite of tools were developed to model inbound and outbound trajectories, propulsive options, and assessment of threat. Propulsive options considered included; staged chemical, nuclear ablation and deflagration, mass driver and solar sail concepts. Trajectory tools plotted the outbound course to intercept the NE0 and the deflection requirements to cause the inbound NE0 to miss the earth. Threat assessment tools estimated the number of lives saved over a given time frame by deploying a system capable of deflecting an NE0 of a certain size and velocity. All of these tools were integrated into a routine to find the most effective vehicle for a given mission mass and mission time. Discussion of desired future efforts is given. This work was funded under the Revolutionary Aerospace Systems Concepts activity from NASA HQ.

Adams, Robert B.↗

Search for Near-Earth Objects with Small Aphelion Distances

An essential component of our ability to efficiently find NEOs at small solar elongation is a focal reducer, whose construction is being separately funded by a grant from NSF. This focal reducer will increase the field of view of the 8k CCD mosaic camera from 19 arc min to about 32 arc min at the Cassegrain focus of the University of Hawaii 2.24-m telescope. As of January, all but one of the lenses for the focal reducer were in hand. The final lens had been delayed due to problems with the availability of the rather exotic material out of which the manufacturer was to fabricate the lens. Perhaps as a result of their rush to deliver that final lens, it developed a crack during the annealing process at the manufacturer, thus they had to start over. The total delay in delivery of that last lens was nearly ten months, and therefore the focal reducer was not completed on schedule and could not be used on the telescope this semester. A postdoctoral research associate was recruited to handle the day-to-day operations. The closing date for applications was 2002 December 3 1, and seven were received. One applicant was not qualified, and two were marginal. Of the four qualified candidates, Fabrizio Bernardi stood out as being best qualified. He was a student of Andrea Carusi and had worked on the CINEOS project in Italy, which includes a component of searching for NEOs at small solar elongations.

Tholen, David J.↗

Astrometric and Photometric Follow-Up of Faint Near Earth Objects

During the last year, the Near-Earth Object (NEO) follow-up program at Mt. Hopkins funded by the Near-Earth Object Observations (NEOO) program continued to improve. The Principal Investigator was again granted all the requested observing time. In addition to the requested time on the 4 8 in. telescope, 2 nights were also granted on the MMT for observations of extremely faint main-belt asteroids and NEOs. It is expected that the MMT can easily reach V = 25 over a 24 X 24 arcminute field of view. Improvements in the last year included more tweaks to the automatic astrometric routine for higher-quality astrometric fits. Use of the new USNO-B1.0 reference catalog has allowed the PI to push the average RMS of reference star solutions below 0.2 in.. Shift-and- stack techniques are used to improve the signal-to-noise ratio of the target objects. The 48 in. telescope at Mt. Hopkins is completely automated, and can be run remotely from either the Principal Investigator's office at SAO, or even his study at home. Most observing runs are now done remotely.

Spahr, Timothy↗

Physical Characterization of the Near-Earth Object Population

Many pieces of the puzzle must be brought together in order to have a clear picture of the near-Earth object (NEO) population. Four of the pieces that can be described include: i) the taxonomic distribution of the population as measured by observational sampling, ii) the determination of albedos that can be associated with the taxonomic distribution, iii) discovery statistics for the NE0 population, and iv) the debiasing of the discovery statistics using the taxonomic and albedo information. Support from this grant enables us to address three of these four pieces. Binzel et al. (2004, submitted) presents the first piece, detailing the observations and observed characteristics of the NE0 and Mars-crossing (MC) population. For the second piece, a complementary program of albedo measurements is pursued at the Keck Observatory (Binzel, P. I.) with first results published in Delbo et al. (2003). For the third piece, the most extensive NE0 discovery statistics are provided by the LINEAR survey. Binzel has supervised the MIT Ph. D. thesis work of Stuart (2003) to bring the fourth piece, submitted for publication by Stuart and Binzel (2004). Our results provide new constraints for the NE0 population and progress for the Spaceguard Survey, illuminate asteroid and comet source regions for the NEOs, and provide new evidence for space weathering processes linking asteroids and meteorites. Further, we are identifying top priority near-Earth spacecraft mission candidates based on their spectral properties and inferred compositions.

Binzel, Richard P.↗

Deep Interior Mission: Imaging the Interior of Near-Earth Asteroids Using Radio Reflection Tomography

Near-Earth asteroids are important exploration targets since they provide clues to the evolution of the solar system. They are also of interest since they present a clear danger to Earth. Our mission objective is to image the internal structure of two NEOs using radio reflection tomography (RRT) in order to explore the record of asteroid origin and impact evolution, and to test the fundamental hypothesis that some NEOs are rubble piles rather than consolidated bodies. Our mission s RRT technique is analogous to doing a CAT scan of the asteroid from orbit. Closely sampled radar echoes are processed to yield volumetric maps of mechanical and compositional boundaries, and to measure interior material dielectric properties. The RRT instrument is a radar that operates at 5 and 15 MHz with two 30-m (tip-to-tip) dipole antennas that are used in a cross-dipole configuration. The radar transmitter and receiver electronics have heritage from JPL's MARSIS contribution to Mars Express, and the antenna is similar to systems used in IMAGE and LACE missions. The 5-MHz channel is designed to penetrate greater than 1 km of basaltic rock, and 15-MHz penetrates a few hundred meters or more. In addition to RRT volumetric imaging, we use redundant color cameras to explore the surface expressions of unit boundaries, in order to relate interior radar imaging to what is observable from spacecraft imaging and from Earth. The camera also yields stereo color imaging for geology and RRT-related compositional analysis. Gravity and high fidelity geodesy are used to explore how interior structure is expressed in shape, density, mass distribution and spin. Ion thruster propulsion is utilized by Deep Interior to enable tomographic radar mapping of multiple asteroids. Within the Discovery AO scheduling parameters we identify two targets, S-type 1999 ND43 (approximately 500 m diameter) and V-type 3908 Nyx (approximately 1 km), asteroids whose compositions bracket the diversity of solar system materials that we are likely to encounter, from undifferentiated to highly evolved. The 5-15 MHz radar is capable of probing more primitive bodies (e.g. comets or C-types) that may be available given other launch schedules. 5 MHz radar easily penetrates, with the required SNR , greater than 1 km of basalt (a good analog for Nyx). Basalt has a greater loss tangent than expected for most asteroids, although iron-rich M-types are probably not appropriate targets. 15 MHz radar penetrates the outer approximately 100 m of rocky 1 km asteroids and the deep interiors of comets. Laboratory studies of the most common NE0 materials expected (S-, C- and V-type meteorite analogs) will commence in 2005.

Safaeinili, A.↗

Astrometric and Photometric Follow-up of Faint Near Earth Objects

During the period April 2003 - April 2005, roughly 150 different faint NEO's were observed using the 1.2-m telescope at Mt. Hopkins. Among these were a couple of spacecraft/radar targets, including support observations in support of the Deep Impact mission. While not strictly an NEO target, comet P/Tempel 1 was nonetheless observed as an object of very high importance. During this time and independent contractor, Kyle Smalley, was trained in the use of the telescope and provided some basic software support for the project.

Morgan, T.↗

NASA's Program to Monitor Orbital Debris in the GEO Belt and the General Problem of Measuring Near-Earth Object Orbits: Similarities and Differences

One of the goals for NASA s Orbital Debris Program Office has been to accurately characterize the population of debris in the geosynchronous Earth orbit (GEO) environment. Most objects larger than about 1 meter in size are regularly tracked and catalogued by the US Space Surveillance System in the GEO regime. The consequence has been that most large intact GEO objects are tracked, but the vast majority of GEO debris fragments are not. Only in recent years have observations been dedicated to characterize the GEO debris population. NASA s efforts have concentrated on using wide field-of-view telescopes to make complete surveys of the GEO regime to better our statistical understanding of the GEO debris population. These telescopes operate in a staring mode, and only make limited short-arc measurements of the orbits. This information, while limited, allows the possibility of debiasing the observations and constructing statistical distributions of orbits in inclination and ascending node. Recent work suggests that we may be able to use statistical methods to estimate better orbit parameters despite the limited data. Both of these types of studies estimating statistical orbit distributions, and estimating accurate orbits using limited short-arc data have direct analogues in ongoing studies of near-Earth objects (NEO) such as asteroids and comets. This talk will describe the GEO study methods in use and being developed at NASA, and will discuss how such methods may or may not be applicable for NEO studies as well.

Matney, Mark↗

Search for Near-Earth Object with Ground-Based Electro-Optical Deep Space Surveillance (GEODSS) Assets

This is a brief review of recent plans and current status of the adaptation of an Air Force wide field GEODSS telescope for the discovery and follow-up of Near-Earth Objects (NEOs). The proposed search program will focus on the discovery of natural objects and will proceed on a non-interference basis, i.e. avoiding any impact on GEODSS' dedicated purpose of tracking and monitoring Earth orbiting spacecraft. In September, 1992, JPL representatives had an initial meeting with GEODSS personnel and saw their facilities in Maui where use of GEODSS' telescopes were discussed in terms of using these existing sensors for the detection of NEOs. A result of these meetings was a test run at the GEODSS, Socorro, N. Mexico location to evaluate the tracking and astrometric accuracy of an upcoming close approach of NEA, (4179) Toutatis...

Helin, Eleanor F.↗