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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Comparison of Statistical Estimation Techniques for Mars Entry, Descent, and Landing Reconstruction from MEDLI-like Data Sources

Flight data from an entry, descent, and landing (EDL) sequence can be used to reconstruct the vehicle's trajectory, aerodynamic coefficients and the atmospheric profile experienced by the vehicle. Past Mars missions have contained instruments that do not provide direct measurement of the freestream atmospheric conditions. Thus, the uncertainties in the atmospheric reconstruction and the aerodynamic database knowledge could not be separated. The upcoming Mars Science Laboratory (MSL) will take measurements of the pressure distribution on the aeroshell forebody during entry and will allow freestream atmospheric conditions to be partially observable. This data provides a mean to separate atmospheric and aerodynamic uncertainties and is part of the MSL EDL Instrumentation (MEDLI) project. Methods to estimate the flight performance statistically using on-board measurements are demonstrated here through the use of simulated Mars data. Different statistical estimators are used to demonstrate which estimator best quantifies the uncertainties in the flight parameters. The techniques demonstrated herein are planned for application to the MSL flight dataset after the spacecraft lands on Mars in August 2012.

Dutta, Soumyo↗
NASA NTRS2015

Terminal Sequencing and Spacing (TSS)

The Federal Aviation Administration's (FAA) Next Generation Air Transportation System (or NextGen) is being designed to support the predicted increases in traffic volume and to increase the capacity, efficiency and safety of the National Airspace System (NAS). The Federal Aviation Administration (FAA) identifies Performance-Based Navigation (PBN) as a key enabling capability of NextGen and is actively publishing PBN procedures at major airports throughout the United States. Standard Terminal Arrival Routes (STARs), procedures, and approaches are designed to facilitate fuel-efficient continuous descent operations. However, their use is limited during periods of high traffic demand due to the complexity of merging multiple streams of aircraft to the same airport. As a result, most arrivals in the Terminal Radar Approach Control (TRACON) area continue to be controlled using radar vectoring and step-down descents, resulting in high workload for controllers and diverting aircraft from efficient PBN trajectories. To address this issue, NASA developed the Terminal Sequencing and Spacing (TSS) system, an advanced arrival management technology that combines time-based scheduling and controller-based precision spacing tools. TSS is a ground-based controller automation tool that facilitates sequencing and merging arrivals on Performance-Based Navigation (PBN) routes, especially during highly congested demand periods. The two main components of TSS are: 1) a scheduler that de-conflicts merging arrivals in the terminal area by computing appropriate arrival times to the runway threshold and upstream terminal merge points, and 2) a set of Controller-Managed Spacing (CMS) decision support tools to efficiently assist schedule conformance. Sixteen high-fidelity human-in-the-loop simulations involving more than five hundred hours of evaluation time, were conducted to mature TSS from proof-of-concept design to a fully functional prototype. Results indicate high controller use and acceptability of the CMS tools as well as improved PBN route conformance (Figure 2). The TSS technology was transferred to the FAA in 2014, and it is targeted for deployment to several busy airports in the U.S. starting in 2018. Potential enhancements to TSS using DataComm will also be presented.

controller-managed spacing↗
NASA NTRS2015

MarCO: CubeSats to Mars in 2016

In March of 2016, the InSight lander will launch from Vandenberg Air Force Base to begin a 6.5 month cruise to Mars. Soon after InSight separates from the upper stage of the launch vehicle, the two MarCO CubeSats will deploy and independently fly to Mars to support telecommunications relay for InSight’s entry, descent, and landing sequence. These craft will have onboard capability for deep space trajectory correction maneuvers; high-speed direct-to-Earth & DSN-compatible communications; an advanced navigation transponder; a large deployable reflectarray high gain antenna; and a robust software suite. This paper will present preliminary information on the MarCO project, including a concept of operations and details of the CubeSats and subsystem design. MarCO will open the door for NanoSpacecraft to serve in support roles for much larger primary missions – in this case, providing a real-time relay of for the InSight project. It will also be the first CubeSats to reach deep space, building upon the lessons learned from the INSPIRE project. At only a 6U in size, these craft well illustrate the tremendous capability available in a small package.

Krajewski, Joel↗
NASA NTRS2008

A Self Contained Method for Safe and Precise Lunar Landing

The return of humans to the Moon will require increased capability beyond that of the previous Apollo missions. Longer stay times and a greater flexibility with regards to landing locations are among the many improvements planned. A descent and landing system that can land the vehicle more accurately than Apollo with a greater ability to detect and avoid hazards is essential to the development of a Lunar Outpost, and also for increasing the number of potentially reachable Lunar Sortie locations. This descent and landing system should allow landings in more challenging terrain and provide more flexibility with regards to mission timing and lighting considerations, while maintaining safety as the top priority. The lunar landing system under development by the ALHAT (Autonomous precision Landing and Hazard detection Avoidance Technology) project is addressing this by providing terrain-relative navigation measurements to enhance global-scale precision, an onboard hazard-detection system to select safe landing locations, and an Autonomous GNC (Guidance, Navigation, and Control) capability to process these measurements and safely direct the vehicle to this landing location. This ALHAT landing system will enable safe and precise lunar landings without requiring lunar infrastructure in the form of navigation aids or a priori identified hazard-free landing locations. The safe landing capability provided by ALHAT uses onboard active sensing to detect hazards that are large enough to be a danger to the vehicle but too small to be detected from orbit, given currently planned orbital terrain resolution limits. Algorithms to interpret raw active sensor terrain data and generate hazard maps as well as identify safe sites and recalculate new trajectories to those sites are included as part of the ALHAT System. These improvements to descent and landing will help contribute to repeated safe and precise landings for a wide variety of terrain on the Moon.

Paschall, Stephen C., II↗
NASA NTRS1994

On the motion of air through the stratospheric polar vortex

Trajectory calculations using horizontal winds from the U.K. Meteorological Office data assimilation system and vertical velocities from a radiation calculation are used to simulate the three-dimensional motion of air through the stratospheric polar vortex for Northern Hemisphere (NH) and Southern Hemisphere (SH) winters since the launch of the Upper Atmosphere Research Satellite (UARS). Throughout the winter, air from the upper stratosphere moves poleward and descends into the middle stratosphere. In the SH lower to middle stratosphere, strongest descent occurs near the edge of the polar vortex, with that edge defined by mixing characteristics. The NH shows a similar pattern in late winter, but in early winter strongest descent is near the center of the vortex, except when wave activity is particularly strong. Strong barriers to latitudinal mixing exist above about 420 K throughout the winter. Below this, the polar night jet is weak in early winter, so air descending below that level mixes between polar and middle latitudes. In late winter, parcels descend less and the polar night jet moves downward, so there is less latitudinal mixing. The degree of mixing in the lower stratosphere thus depends strongly on the position and evolution of the polar night jet and on the amount of descent experienced by the air parcels; these characteristics show considerable interannual variability in both hemispheres. The computed trajectories provide a three-dimensional picture of air motion during the final warming. Large tongues of air are drawn off the vortex and stretched into increasingly long and narrow tongues extending into low latitudes. This vortex erosion process proceeds more rapidly in the NH than in he SH. In the lower stratosphere, the majority of air parcels remain confined within a lingering region of strong potential vorticity gradients into December in the SH and April in the NH, well after the vortex breaks up in the midstratosphere.

Manney, G. L.↗
NASA NTRS1986

Mars vehicle TCS and aerobrake TPS

General design approach, some problems and technology needs for a Mars vehicle manned module Thermal Control System (TCS) and aerobrake Thermal Protection System (TPS) are discussed. The design approach of the TCS will be similar to that of the space station. Mars atmospheric dust storms are identified as an unknown that will impact the design of the Mars landing vehicle and base facility. New technology may be needed for thermal control surfaces to functionally survive the dust storms. The TPS for the Mars aerocapture vehicle will be subject to marginal stagnation heating rates for conjunction class missions and very high heating rates for opposition class missions. New technology TPS materials or an ablative heat shield will be required for the high stagnation heating rate trajectories. No significantly new technology is needed for the manned modules that do not descent to the Mars surface.

Comer, G.↗
NASA NTRS2017

Relay Communications Support to the ExoMars Schiaparelli Lander

The European Space Agency’s ExoMars Trace Gas Orbiter (TGO) arrived at Mars on October 19, 2016, three days after releasing the Schiaparelli Lander on a ballistic trajectory to Meridiani Planum. During the separation event, and subsequently during Schiaparelli’s Entry, Descent, and Landing (EDL), the NASA-provided Electra UHF payload onboard TGO was used to record signals from the Schiaparelli Lander for post-processing on the ground to recover both tracking of the lander’s carrier signal and reconstruction of the lander’s 8 kb/s telemetry. In addition, ESA’s Mars Express orbiter also recorded the Schiaparelli signal, with ground post-processing providing independent tracking of the lander carrier signal, and the Giant Metrewave Radio Telescope near Pune, India was configured to provide real-time detection of the lander carrier signal. While an anomaly in the latter stages of EDL led to loss of the lander, these critical event data sets, and in particular the telemetry reconstruction enabled by the TGO Electra recording, proved essential in enabling detailed diagnosis of the anomaly. And while the loss of the lander during EDL precluded the planned surface relay operations, the preparations for that activity provide important lessons learned for future Mars relay support scenarios.

Edwards, Charles D., Jr.↗
NASA NTRSDate not supplied

Strategies for Automation of Model Tuning in Multifidelity Trajectory Uncertainty Propagation

Multi-model Monte Carlo methods are efficient strategies to perform forward uncertainty quantification studies in entry, descent, and landing (EDL) applications. These multi-model methods are based on the classical Monte Carlo estimator, but fuse predictions from several low-fidelity models to obtain estimators with greater precision given a prescribed computational budget. The effectiveness of these approaches relies on the magnitudes of correlations between the low-fidelity models and the high-fidelity model, as well as the relative computational costs of all models. Identifying and exploiting the best trade-off between correlation and cost, which ultimately depends on the selection of hyperparameters in the low-fidelity models, is a task often performed by hand or simply inspired by the deterministic understanding available for a specific application. This work extends a preliminary effort,

Marten Thompson↗
NASA NTRSDate not supplied

Advances in Design Capabilities for Planetary Missions from the NASA Entry Systems Modeling and Instrumentation Portfolio

The Entry Systems Modeling project (ESM) is supported by both the NASA Space Technology and the Science Mission Directorates and focuses on developing simulation tools and validated models for characterizing the performance of entry systems tailored to planetary destinations across the Solar System. ESM is organized into six technical capability areas that together address all relevant factors related to spacecraft entry, as well as some aspects of descent: Thermal Protection System (TPS) Materials; Aerothermodynamics; Entry & Descent Vehicle Dynamics; Guidance, Navigation, and Control; Vehicle Systems Analysis; and Advanced Tools and Numerical Methods. Development within the capability areas is undertaken explicitly with a focus on transition and infusion to science missions, human exploration missions, and commercial space activities. The present talk details developments that specifically impact science missions, including simulation tool capabilities that aid in mission design and model development to understand entry system performance at a given destination. Examples of the successful infusion and transition of such project outcomes to science missions also are provided. Several simulation tool development efforts within ESM have resulted in new design capabilities for missions. One such outcome is improved toolsets for mission trajectory and concept of operations design. Specifically, an initiative to couple a leading tool for entry, ascent/descent, and orbital trajectory optimization (Program to Optimize Simulated Trajectories II or POST2) to those used within the Agency for interplanetary trajectory optimization (Copernicus and Monte) has made substantial progress, with the outcomes to date promising to allow efficient trajectory optimization across mission phases. Additionally, toolchains for the evaluation of vehicle performance during entry and descent have been developed that allow assessment of multi-dimensional aeroheating on detailed vehicle geometries, characterization of deployment and inflation of parachutes, and assessment of vehicle dynamic stability during descent. These capabilities are achieved by coupling diverse sets of physics together – material response, computational fluid dynamics, radiation, and vehicle dynamics – to suitably describe complex entry and descent phenomena. Several model development and validation efforts for specific destinations and entry regimes also are underway within the ESM project. For instance, new experimental capabilities to validate radiation models at low densities/high altitudes recently have been established with project support, specifically the Low-Density Shock Tube (LDST) at the NASA Ames Research Center Electric Arc Shock Tube (EAST) facility. The LDST is being leveraged to develop improved models of shock layer kinetics and radiation in Titan atmospheres, while future studies will be conducted in the LDST and the existing high velocity shock tube to provide validation data for radiation models of Venus, Ice Giants, and Mars atmospheres. Models describing the aerothermal and thermo-structural performance of Thermal Protection System (TPS) materials has been another focus, with multiscale modeling activities on-going for the two leading TPS materials applicable to a range of entry conditions and science missions: the Phenolic-Impregnated Carbon Ablator (PICA) and woven materials like 3D Mid-Density Carbon Phenolic (3MDCP). A continual effort is made to infuse and transition outcomes from ESM simulation tool and model development activities into relevant science missions. Significant progress has been made on this front, with missions such as Dragonfly, DAVINCI, and Mars Missions benefitting from project outcomes. The groundwork also is being laid to provide insights into forward looking missions to Gas/Ice Giants as well as for potential sample returns.

Justin Haskins↗
NASA NTRS2002

Mars Smart Lander Simulations for Entry, Descent, and Landing

Two primary simulations have been developed and are being updated for the Mars Smart Lander Entry, Descent, and Landing (EDL). The high fidelity engineering end-to-end EDL simulation that is based on NASA Langley's Program to Optimize Simulated Trajectories (POST) and the end-to-end real-time, hardware-in-the-loop simulation testbed, which is based on NASA JPL's (Jet Propulsion Laboratory) Dynamics Simulator for Entry, Descent and Surface landing (DSENDS). This paper presents the status of these Mars Smart Lander EDL end-to-end simulations at this time. Various models, capabilities, as well as validation and verification for these simulations are discussed.

Striepe, S. A.↗
NASA NTRSDate not supplied

Implementation of a Six Degree of Freedom Precision Lunar Landing Algorithm Using Dual Quaternion Representation

In this study, a powered descent guidance algorithm using a unit dual quaternion represen- tation of the vehicle dynamics is implemented in a high-fidelity simulation and on representative flight hardware. This Dual-Quaternion Guidance (DQG) algorithm is applied to the precision lunar landing problem which levies complex constraints upon the trajectory, including state triggered attitude constraints to enable terrain-relative navigation and hazard detection as well as real-time requirements for landing site re-designation. The investigation explores DQG’s usefulness as a mission design tool as well as a real-time guidance algorithm and defines real-time performance requirements for the hazard detection and avoidance (HDA) re-targeting phase of precision lunar landing. The experiment is presented in two parts. First, DQG is implemented within a high-fidelity Monte Carlo simulation to tune the algorithm’s parameters for the simulated vehicle, to refine the mission design, and to develop guidance update timing requirements to perform the HDA maneuver. DQG generates trajectories online for the divert which are tracked by the vehicle’s inner-loop controllers to the targeted landing site. Second, DQG is run on representative hardware to demonstrate real-time operation through a divert maneuver. These results allow for rapid, flexible, optimal mission design satisfying complex constraints, and for the definition of real-time performance requirements for the HDA operations inherent in precision lunar landing. The HDA divert maneuver is found to require guidance trajectory updates in less than three seconds. DQG is found to be too slow to meet this update timing on the descent and landing computer (DLC) in its current implementation. DQG running on alternative hardware can meet the update rate requirement. Algorithm implementation improvements are also recommended which are expected to speed up computation sufficiently to meet requirements on the DLC.

GN&C↗
NASA NTRSDate not supplied

Comparison of Entry Descent and Landing Aerodynamic Databases with Uncertainty Quantification Developed Using Machine Learning Techniques

When developing the aerodynamic databases for use in trajectory simulations, it is important to develop a system of metrics to qualify which aerodynamic models are best to use. Since aerodynamics are just one input into trajectory simulations, the results of these simulations do not reflect on the quality of the aerodynamic database used. This means that aerodynamic database comparisons must be done offline. While traditional metrics that focus on mean/nominal predictions are a good first step, more robust estimates of the prediction interval become important as more focused uncertainty models are developed. We explore the limitations of evaluating aerodynamic models based purely on nominal-centered response surfaces. Before elaborating and evaluating metrics based on distributed models, the value of evaluating prediction interval and confidence interval are discussed to conclude that prediction intervals are more relevant to the use of trajectory analysis. Several metrics to evaluate the prediction interval are introduced with a focus on the standard calibration metric. Finally, we compare candidate models using both mean and distributed metrics. A finalized candidate model developed using state of the art machine learning methods is compared to a baseline model developed using traditional aerodynamic database modeling techniques.

Aerodynamic Database↗
DOE OSTI2025

Along-Trajectory Acoustic Signal Variations Observed During the Hypersonic Re-Entry of the OSIRIS-REx Sample Return Capsule

The re-entry of the Origins, Spectral Interpretation, Resource Identification, and Security-Regolith Explorer (OSIRIS-REx) sample return capsule (SRC) on 24 September 2023 presented a rare opportunity to study atmospheric entry dynamics through a dense network of ground-based infrasound sensors. As the first interplanetary capsule to re-enter over the United States since Stardust in 2006, this event allowed for unprecedented observations of infrasound signals generated during hypersonic descent. We deployed 39 single-sensor stations across Nevada and Utah, strategically distributed to capture signals from distinct trajectory points. Infrasound data were analyzed to examine how signal amplitude and period vary with altitude and propagation path for a nonablating hypersonic object with well-defined physical and aerodynamic properties. Raytracing simulations incorporated atmospheric specifications from the ground-2-space model to estimate source altitudes for observed signals. Results confirmed ballistic arrivals at all stations, with source altitudes ranging from 44 to 62 km along the trajectory. Signal period and amplitude exhibited strong dependence on source altitude, with higher altitudes corresponding to lower amplitudes, longer periods, and reduced high-frequency content. Regression analysis demonstrated strong correlations between signal characteristics and both altitude and propagation geometry. Our results suggest, when attenuation is considered, the amplitude is primarily determined by the source, with the propagation path playing a secondary role over the distances examined. These findings emphasize the utility of controlled SRC re-entries for advancing our understanding of natural meteoroid dynamics, refining atmospheric entry models, and improving methodologies for planetary defense. The OSIRIS-REx SRC campaign represents the most comprehensive infrasound study of a hypersonic re-entry to date, showcasing the potential of coordinated geophysical observational networks for high-energy atmospheric phenomena, including space debris re-entries.

58 GEOSCIENCES↗
NASA NTRS2010

Orion Entry Display Feeder and Interactions with the Entry Monitor System

The Orion spacecraft is designed to return astronauts to a landing within 10 km of the intended landing target from low Earth orbit, lunar direct-entry, and lunar skip-entry trajectories. Al pile the landing is nominally controlled autonomously, the crew can fly precision entries manually in the event of an anomaly. The onboard entry displays will be used by the crew to monitor and manually fly the entry, descent, and landing, while the Entry Monitor System (EMS) will be used to monitor the health and status of the onboard guidance and the trajectory. The entry displays are driven by the entry display feeder, part of the Entry Monitor System (EMS). The entry re-targeting module, also part of the EMS, provides all the data required to generate the capability footprint of the vehicle at any point in the trajectory, which is shown on the Primary Flight Display (PFD). It also provides caution and warning data and recommends the safest possible re-designated landing site when the nominal landing site is no longer within the capability of the vehicle. The PFD and the EMS allow the crew to manually fly an entry trajectory profile from entry interface until parachute deploy having the flexibility to manually steer the vehicle to a selected landing site that best satisfies the priorities of the crew. The entry display feeder provides data from the ENIS and other components of the GNC flight software to the displays at the proper rate and in the proper units. It also performs calculations that are specific to the entry displays and which are not made in any other component of the flight software. In some instances, it performs calculations identical to those performed by the onboard primary guidance algorithm to protect against a guidance system failure. These functions and the interactions between the entry display feeder and the other components of the EMS are described.

Baird, Darren↗
NASA NTRS2010

Automation for Accommodating Fuel-Efficient Descents in Constrained Airspace

Continuous descents at low engine power are desired to reduce fuel consumption, emissions and noise during arrival operations. The challenge is to allow airplanes to fly these types of efficient descents without interruption during busy traffic conditions. During busy conditions today, airplanes are commonly forced to fly inefficient, step-down descents as airtraffic controllers work to ensure separation and maximize throughput. NASA in collaboration with government and industry partners is developing new automation to help controllers accommodate continuous descents in the presence of complex traffic and airspace constraints. This automation relies on accurate trajectory predictions to compute strategic maneuver advisories. The talk will describe the concept behind this new automation and provide an overview of the simulations and flight testing used to develop and refine its underlying technology.

Coopenbarger, Richard A.↗
NASA NTRS2016

Coupled Inertial Navigation and Flush Air Data Sensing Algorithm for Atmosphere Estimation

This paper describes an algorithm for atmospheric state estimation based on a coupling between inertial navigation and flush air data-sensing pressure measurements. The navigation state is used in the atmospheric estimation algorithm along with the pressure measurements and a model of the surface pressure distribution to estimate the atmosphere using a nonlinear weighted least-squares algorithm. The approach uses a high-fidelity model of atmosphere stored in table-lookup form, along with simplified models propagated along the trajectory within the algorithm to aid the solution. Thus, the method is a reduced-order Kalman filter in which the inertial states are taken from the navigation solution and atmospheric states are estimated in the filter. The algorithm is applied to data from the Mars Science Laboratory entry, descent, and landing from August 2012. Reasonable estimates of the atmosphere are produced by the algorithm. The observability of winds along the trajectory are examined using an index based on the observability Gramian and the pressure measurement sensitivity matrix. The results indicate that bank reversals are responsible for adding information content. The algorithm is applied to the design of the pressure measurement system for the Mars 2020 mission. A linear covariance analysis is performed to assess estimator performance. The results indicate that the new estimator produces more precise estimates of atmospheric states than existing algorithms.

Karlgaard, Christopher D.↗
NASA NTRS2017

Entry, Descent, and Landing technological barriers and crewed MARSvehicle performance analysis

Mars has been explored historically only by robotic crafts, but a crewed mission encompasses several new engineering challenges – high ballistic coefficient entry, hypersonic decelerators, guided entry for reaching intended destinations within acceptable margins for error in the landing ellipse, and payload mass are all critical factors for evaluation. A comprehensive EDL parametric analysis has been conducted in support of a high mass landing architecture by evaluating three types of vehicles −70° Sphere Cone, Ellipsled and SpaceX hybrid architecture called Red Dragon as potential candidate options for crewed entry vehicles. Aerocapture at the Martian orbit of about 400 km and subsequent Entry-from-orbit scenarios were investigated at velocities of 6.75 km/s and 4 km/s respectively. A study on aerocapture corridor over a range of entry velocities (6–9 km/s) suggests that a hypersonic L/D of 0.3 is sufficient for a Martian aerocapture. Parametric studies conducted by varying aeroshell diameters from 10 m to 15 m for several entry masses up to 150 mt are summarized and results reveal that vehicles with entry masses in the range of about 40–80 mt are capable of delivering cargo with a mass on the order of 5–20 mt. For vehicles with an entry mass of 20 mt to 80 mt, probabilistic Monte Carlo analysis of 5000 cases for each vehicle were run to determine the final landing ellipse and to quantify the statistical uncertainties associated with the trajectory and attitude conditions during atmospheric entry. Strategies and current technological challenges for a human rated Entry, Descent, and Landing to the Martian surface are presented in this study.

Prabhakar Subrahmanyam↗
DOE OSTI2021

Ab Initio Direct Dynamics

The reactivity and dynamics of molecular systems can be explored computationally by classical trajectory calculations. The traditional approach involves fitting a functional form of a potential energy surface (PES) to the energies from a large number of electronic structure calculations and then integrating numerous trajectories on this fitted PES to model the molecular dynamics. The ever-decreasing cost of computing and continuing advances in computational chemistry software have made it possible to use electronic structure calculations directly in molecular dynamics simulations without first having to construct a fitted PES. In this “on-the-fly” approach, every time the energy and its derivatives are needed for the integration of the equations of motion, they are obtained directly from quantum chemical calculations. This approach started to become practical in the mid-1990s as a result of increased availability of inexpensive computer resources and improved computational chemistry software. The application of direct dynamics calculations has grown rapidly over the last 25 years and would require a lengthy review article. The present Account is limited to some of our contributions to methods development and various applications. To improve the efficiency of direct dynamics calculations, we developed a Hessian-based predictor-corrector algorithm for integrating classical trajectories. Hessian updating made this even more efficient. Furthermore, this approach was also used to improve algorithms for following the steepest descent reaction paths. For larger molecular systems, we developed an extended Lagrangian approach in which the electronic structure is propagated along with the molecular structure. Strong field chemistry is a rapidly growing area, and to improve the accuracy of molecular dynamics in intense laser fields, we included the time-varying electric field in a novel predictor-corrector trajectory integration algorithm. Since intense laser fields can excite and ionize molecules, we extended our studies to include electron dynamics. Specifically, we developed code for time-dependent configuration interaction electron dynamics to simulate strong field ionization by intense laser pulses. Our initial application of ab initio direct dynamics in 1994 was to CH 2 O → H 2 + CO; the calculated vibrational distributions in the products were in very good agreement with experiment. In the intervening years, we have used direct dynamics to explore energy partitioning in various dissociation reactions, unimolecular dissociations yielding three fragments, reactions with branching after the transition state, nonstatistical dynamics of chemically activated molecules, dynamics of molecular fragmentation by intense infrared laser pulses, selective activation of specific dissociation channels by aligned intense infrared laser fields, angular dependence of strong field ionization, and simulation of sequential double ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗