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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS2003

Macromolecular Topography Leaps into the Digital Age

A low-cost, real-time digital topography system is under development which will replace x-ray film and nuclear emulsion plates. The imaging system is based on an inexpensive surveillance camera that offers a 1000x1000 array of 8 im square pixels, anti-blooming circuitry, and very quick read out. Currently, the system directly converts x-rays to an image with no phosphor. The system is small and light and can be easily adapted to work with other crystallographic equipment. Preliminary images have been acquired of cubic insulin at the NSLS x26c beam line. NSLS x26c was configured for unfocused monochromatic radiation. Six reflections were collected with stills spaced from 0.002 to 0.001 degrees apart across the entire oscillation range that the reflections were in diffracting condition. All of the reflections were rotated to the vertical to reduce Lorentz and beam related effects. This particular CCD is designed for short exposure applications (much less than 1 sec) and so has a relatively high dark current leading to noisy raw images. The images are processed to remove background and other system noise with a multi-step approach including the use of wavelets, histogram, and mean window filtering. After processing, animations were constructed with the corresponding reflection profile to show the diffraction of the crystal volume vs. the oscillation angle as well as composite images showing the parts of the crystal with the strongest diffraction for each reflection. The final goal is to correlate features seen in reflection profiles captured with fine phi slicing to those seen in the topography images. With this development macromolecular topography finally comes into the digital age.

Lovelace, J.↗
NASA NTRS2003

Helium Cryo Testing of a SLMS(TM) (Silicon Lightweight Mirrors) Athermal Optical Assembly

SLMS (TM) a thermal technology has been demonstrated in the small 4-foot helium cryogenic test chamber located at the NASA/MSFC X-Ray Calibration Facility (XRCF). A SLMS (TM) Ultraviolet Demonstrator Mirror (UVDM) produced by Schafer under a NASA/MSFC Phase I SBIR was helium cryo tested both free standing and bonded to a Schafer designed prototype carbon fiber reinforced silicon carbide (Cesic) mount. Surface figure data was obtained with a test measurement system that featured an Instantaneous Phase Interferometer (IPI) by ADE Phase Shift. The test measurement system s minimum resolvable differential figure deformation and possible contributions from test chamber ambient to cryo window deformation are under investigation. The free standing results showed differential figure deformation of 10.4 nm rms from 295K to 27K and 3.9 nm rms after one cryo cycle. The surface figure of the UVDM degraded by lambda/70 rms HeNe once it was bonded to the prototype Cesic mount. The change was due to a small astigmatic aberration in the rototype Cesic mount due to lack of finish machining and not the bonding technique. This effect was seen in SLMST (TM) optical assembly results, which showed differential figure deformation of 46.5 nm rms from 294K to 27K, 42.9 nm rms from 294K to 77K, 28.0 nm rms from 294K to 193K and 6.2 nm rms after one cryo cycle.

Jacoby, Marc T.↗
NASA NTRS2006

Coloration Determination of Spectral Darkening Occurring on a Broadband Earth Observing Radiometer: Application to Clouds and the Earth's Radiant Energy System (CERES)

It is estimated that in order to best detect real changes in the Earth s climate system, space based instrumentation measuring the Earth Radiation Budget (ERB) must remain calibrated with a stability of 0.3% per decade. Such stability is beyond the specified accuracy of existing ERB programs such as the Clouds and the Earth s Radiant Energy System (CERES, using three broadband radiometric scanning channels: the shortwave 0.3 - 5microns, total 0.3. > 100microns, and window 8 - 12microns). It has been shown that when in low earth orbit, optical response to blue/UV radiance can be reduced significantly due to UV hardened contaminants deposited on the surface of the optics. Since typical onboard calibration lamps do not emit sufficient energy in the blue/UV region, this darkening is not directly measurable using standard internal calibration techniques. This paper describes a study using a model of contaminant deposition and darkening, in conjunction with in-flight vicarious calibration techniques, to derive the spectral shape of darkening to which a broadband instrument is subjected. Ultimately the model uses the reflectivity of Deep Convective Clouds as a stability metric. The results of the model when applied to the CERES instruments on board the EOS Terra satellite are shown. Given comprehensive validation of the model, these results will allow the CERES spectral responses to be updated accordingly prior to any forthcoming data release in an attempt to reach the optimum stability target that the climate community requires.

Matthews, Grant↗
NASA NTRS2012

Telerobotics Workstation (TRWS) for Deep Space Habitats

On medium- to long-duration human spaceflight missions, latency in communications from Earth could reduce efficiency or hinder local operations, control, and monitoring of the various mission vehicles and other elements. Regardless of the degree of autonomy of any one particular element, a means of monitoring and controlling the elements in real time based on mission needs would increase efficiency and response times for their operation. Since human crews would be present locally, a local means for monitoring and controlling all the various mission elements is needed, particularly for robotic elements where response to interesting scientific features in the environment might need near- instantaneous manipulation and control. One of the elements proposed for medium- and long-duration human spaceflight missions, the Deep Space Habitat (DSH), is intended to be used as a remote residence and working volume for human crews. The proposed solution for local monitoring and control would be to provide a workstation within the DSH where local crews can operate local vehicles and robotic elements with little to no latency. The Telerobotics Workstation (TRWS) is a multi-display computer workstation mounted in a dedicated location within the DSH that can be adjusted for a variety of configurations as required. From an Intra-Vehicular Activity (IVA) location, the TRWS uses the Robot Application Programming Interface Delegate (RAPID) control environment through the local network to remotely monitor and control vehicles and robotic assets located outside the pressurized volume in the immediate vicinity or at low-latency distances from the habitat. The multiple display area of the TRWS allows the crew to have numerous windows open with live video feeds, control windows, and data browsers, as well as local monitoring and control of the DSH and associated systems.

Mittman, David S.↗
NASA NTRS2019

CMB-S4 Decadal Survey APC White Paper

CMB-S4 is envisioned to be the ultimate ground-based cosmic microwave background experiment, crossing critical thresholds in our understanding of the origin and evolution of the Universe, from the highest energies at the dawn of time through the growth of structure to the present day. The CMB-S4 science case is spectacular: the search for primordial gravitational waves as predicted from inflation and the imprint of relic particles including neutrinos, unique insights into dark energy and tests of gravity on large scales, elucidating the role of baryonic feedback on galaxy formation and evolution, opening up a window on the transient Universe at millimeter wavelengths, and even the exploration of the outer Solar System. The CMB-S4 sensitivity to primordial gravitational waves will probe physics at the highest energy scales and cross a major theoretically motivated threshold in constraints on inflation. The CMB-S4 search for new light relic particles will shed light on the early Universe 10,000 times farther back than current experiments can reach. Finally, the CMB-S4 Legacy Survey covering 70% of the sky with unprecedented sensitivity and angular resolution from centimeter- to millimeter-wave observing bands will have a profound and lasting impact on Astronomy and Astrophysics and provide a powerful complement to surveys at other wavelengths, such as LSST and WFIRST, and others yet to be imagined. We emphasize that these critical thresholds cannot be reached without the level of community and agency investment and commitment required by CMB-S4. In particular, the CMB-S4 science goals are out of the reach of any projected precursor experiment by a significant margin.

Abazajian, Kevork↗
DOE OSTI2020

Method for active sensor signal optimization

A system and method for optimizing a fiber optic sensor by properly clocking or rotationally orienting a window with a fiber optic focuser. This method may include shining light through the focuser into the window and receiving with a reflectometer a first reflection from a first surface of the window and a second reflection from a second surface of the window. Next, the method may include calculating a delta of intensities between the first and second reflections, and then rotating an orientation of the window to a next rotational orientation. The steps of rotating the orientation of the window, receiving reflections, and calculating their delta may be repeated any plurality of times to solve for a plurality of deltas. Then, the method may include the steps of determining which one of the deltas is the largest and fixing the window to the focuser at a rotational orientation associated therewith.

42 ENGINEERING↗
NASA NTRS2003

Evaluation of Alternate Concepts for Synthetic Vision Flight Displays With Weather-Penetrating Sensor Image Inserts During Simulated Landing Approaches

A simulation study was conducted in 1994 at Langley Research Center that used 12 commercial airline pilots repeatedly flying complex Microwave Landing System (MLS)-type approaches to parallel runways under Category IIIc weather conditions. Two sensor insert concepts of 'Synthetic Vision Systems' (SVS) were used in the simulated flights, with a more conventional electro-optical display (similar to a Head-Up Display with raster capability for sensor imagery), flown under less restrictive visibility conditions, used as a control condition. The SVS concepts combined the sensor imagery with a computer-generated image (CGI) of an out-the-window scene based on an onboard airport database. Various scenarios involving runway traffic incursions (taxiing aircraft and parked fuel trucks) and navigational system position errors (both static and dynamic) were used to assess the pilots' ability to manage the approach task with the display concepts. The two SVS sensor insert concepts contrasted the simple overlay of sensor imagery on the CGI scene without additional image processing (the SV display) to the complex integration (the AV display) of the CGI scene with pilot-decision aiding using both object and edge detection techniques for detection of obstacle conflicts and runway alignment errors.

Parrish, Russell V.↗
NASA NTRS1996

The Clouds and the Earth's Radiant Energy System (CERES) Sensors and Preflight Calibration Plans

The Clouds and the Earth's Radiant Energy System (CERES) spacecraft sensors are designed to measure broadband earth-reflected solar shortwave (0.3-5 microns) and earth-emitted longwave (5- > 100 microns) radiances at the top of the atmosphere as part of the Mission to Planet Earth program. The scanning thermistor bolometer sensors respond to radiances in the broadband shortwave (0.3-5 microns) and total-wave (0.3- > 100 microns) spectral regions, as well as to radiances in the narrowband water vapor window (8-12 microns) region. 'ne sensors are designed to operate for a minimum of 5 years aboard the NASA Tropical Rainfall Measuring Mission and Earth Observing System AM-1 spacecraft platforms that are scheduled for launches in 1997 and 1998, respectively. The flight sensors and the in-flight calibration systems will be calibrated in a vacuum ground facility using reference radiance sources, tied to the international temperature scale of 1990. The calibrations will be used to derive sensor gains, offsets, spectral responses, and point spread functions within and outside of the field of view. The shortwave, total-wave, and window ground calibration accuracy requirements (1 sigma) are +/-0.8, +/-0.6, and +/-0.3 W /sq m/sr, respectively, while the corresponding measurement precisions are +/-O.5% and +/-1.0% for the broadband longwave and shortwave radiances, respectively. The CERES sensors, in-flight calibration systems, and ground calibration instrumentation are described along with outlines of the preflight and in-flight calibration approaches.

Lee, Robert B., III↗
DOE OSTI2020

An Experimental Feasibility Study on Applying Neutron Tomography to Encapsulated Spent Nuclear Fuel - 20050

Visual inspection makes easier to ensure the integrity and safety of spent nuclear fuel (SNF) than any classical techniques. Various classical techniques have been applied but there are no reliable methods to qualitatively and quantitatively verify spent fuel in dry storage. Thus, the present authors have developed the prototype safeguards apparatus for dry storage employing the array of He-4 gas scintillation detectors (S670E, Arktis Radiation Detectors Ltd., Switzerland), newly designed to simultaneously measure thermal and fast neutrons without any moderators. The S670E detector has a cylindrical shape with a diameter of 52 mm and active length of 600 mm (total length: 875 mm). The detector is filled by He-4 gas with an approximate pressure of 180 bar for fast neutron detection, and its inner wall is coated by Li-6 for thermal neutron detection. The scintillation lights generated via Li-6 nuclear reaction and elastic scattering are collected by 24 SiPMs linearly paired at the center of the detector. The detector delivers a TTL (Transistor-Transistor Logic) output for pulse readout and UART (Universal Asynchronous Receiver Transmitter) for device control. In order to assess feasibility of the apparatus, an experimental system has been designed, built, and optimized via computational studies. Cf-252 neutron sources and linearly arrayed detectors, working as a single detector, were occupied for this study due to the difficulties in working with SNF. The laboratory scale cask (diameter: 0.67 m, height: 1.5 m), minimized by a factor of 10 compared to the actual thickness of a commercial TN-32 cask, was also manufactured. The detector array was designed to rotate the lab-scale cask and obtain 36 image profiles at every 10 degrees. All profiles were aligned in single frame image called a sinogram, and the cross-sectional image was then fabricated by the inverse radon transform algorithm. These experiments have been repeated with different configurations and numbers of sources. Some gamma-ray sources were also measured with neutron sources in order to distinguish between neutron and gamma-ray pulses. Basically, a He-4 detector is designed to run on Linux OS so it is difficult to directly apply to Windows-based equipment widely used in S. Korea. Therefore, a new data acquisition board working on Windows OS was designed and built. The board mainly consists of FPGA (Field Programmable Gate Array) and SoC (System on Chip) for TTL pulse readout, sorting measured data, and transferring data to a user interface. In conclusion, the tomographic system at lab-scale has shown considerable potential to detect a partial or gross defect of encapsulated assemblies in dry storage. Next steps of this study will be to 1) repeatedly carry out experiments to demonstrate scientific reliability and validity, and 2) numerically integrate signals with weight factors to enhance the image quality since the suggested system based on passive interrogation method requires longer measurement time. Finally, the system will apply to a commercial dry storage phased out soon in S. Korea. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Sensor Anomaly Detection for Nuclear Reactor Systems Utilizing Linear Regression and K-Means Unsupervised Machine Learning

Nuclear reactors and related systems are becoming increasingly complex due to advancing technologies in next-generation power reactors. This increased complexity necessitates enhanced automation and data management capabilities. To successfully realize autonomous systems, methods must be developed to handle vast volumes of data and effectively distinguish anomalous data from noise and expected data. While impressive models utilizing digital twins and similar approaches are under development, here we propose a simplified model for analyzing fundamental methods and techniques. Initially, we created a general dataset by using initial data from PCTRAN in order to represent ideal steady-state conditions. We then inserted anomalies based on prevalent sensor anomaly types (e.g., point anomalies, linear drift, and downward deviations), along with unusual anomalies such as exponential drift and upward deviations. To detect anomalies, we developed a program that employs data partitioning and linear regression to preprocess and filter the anomalous data. A K-Means machine learning (ML) method was then applied to separate and count the data within the anomalous partition. The results from all datasets—apart from exponential growth—demonstrated positive outcomes, with each returning multiple instances of greaterthan-95% accuracy. We conducted further investigations using Idaho National Laboratory’s RAVEN software to perform a sensitivity analysis on the input variables (R 2 Tolerance, Slope Tolerance, and Window Size) and found that the output variables (Accuracy and Time) were most sensitive to the Window Size. Despite the promising results published, further development is required to effectively apply these methods to nuclear systems. Nevertheless, the strengths of this approach are evident and hold promise for future applications in the field.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2010

Display Sharing: An Alternative Paradigm

The current Johnson Space Center (JSC) Mission Control Center (MCC) Video Transport System (VTS) provides flight controllers and management the ability to meld raw video from various sources with telemetry to improve situational awareness. However, maintaining a separate infrastructure for video delivery and integration of video content with data adds significant complexity and cost to the system. When considering alternative architectures for a VTS, the current system's ability to share specific computer displays in their entirety to other locations, such as large projector systems, flight control rooms, and back supporting rooms throughout the facilities and centers must be incorporated into any new architecture. Internet Protocol (IP)-based systems also support video delivery and integration. IP-based systems generally have an advantage in terms of cost and maintainability. Although IP-based systems are versatile, the task of sharing a computer display from one workstation to another can be time consuming for an end-user and inconvenient to administer at a system level. The objective of this paper is to present a prototype display sharing enterprise solution. Display sharing is a system which delivers image sharing across the LAN while simultaneously managing bandwidth, supporting encryption, enabling recovery and resynchronization following a loss of signal, and, minimizing latency. Additional critical elements will include image scaling support, multi -sharing, ease of initial integration and configuration, integration with desktop window managers, collaboration tools, host and recipient controls. This goal of this paper is to summarize the various elements of an IP-based display sharing system that can be used in today's control center environment.

Brown, Michael A.↗
NASA NTRS2014

James Webb Space Telescope Launch Window Trade Analysis

The James Webb Space Telescope (JWST) is a large-scale space telescope mission designed to study fundamental astrophysical questions ranging from the formation of the universe to the origin of planetary systems and the origins of life. JWSTs orbit design is a Libration Point Orbit (LPO) around the Sun-EarthMoon (SEM) L2 point for a planned mission lifetime of 10.5 years. The launch readiness period for JWST is from Oct 1st, 2018 November 30th, 2018. This paper presents the first launch window analysis for the JWST observatory using finite-burn modeling; previous analysis assumed a single impulsive midcourse correction to achieve the mission orbit. The physical limitations of the JWST hardware stemming primarily from propulsion, communication and thermal requirements alongside updated mission design requirements result in significant launch window within the launch readiness period. Future plans are also discussed.

James Webb Space Telescope↗
NASA NTRS1994

Real-time thickness measurement of MCC ablator material

One of the most favorable characteristics of the Space Shuttle Program is the reusability of two of its primary components: the orbiter itself and the Solid Rocket Boosters (SRB). The SRB's provide the primary source of propulsion for the Space Shuttle during take-off after which they are recovered for refurbishment and reuse. During refurbishment, the SRB's are stripped of all remaining ablative (heat resistant) coating. A new layer is applied to the appropriate sections (nose cone, frustum, forward skirt, and aft skirt). It is the process of applying the ablative coating which provided the impetus for this project. The thickness of this protective layer is considered to be of primary importance to the level of thermal protection provided. The objectives of this effort are to investigate possible techniques for measuring the thickness of MCC, and if possible to test the specific capabilities of those considered good candidates for implementation. The system would be able to take measurements in real-time as close to the spray gun as possible. This will allow the information to be used in the control of the process without an inordinate time delay between a measurement and its appropriate response. The thickness of the deposited material is to be measured with less than 0.100 in if uncertainty. This is the defined tolerance window for the ablator thickness. Finally, it must operate within the confines of the chamber which encloses the turntable, robot, and spray system, and therefore is required to be insensitive to, or at least maintainable in, that environment.

Greenway, R. Bryan, Jr.↗
NASA NTRS1993

Automated cloud classification with a fuzzy logic expert system

An unresolved problem in current cloud retrieval algorithms concerns the analysis of scenes containing overlapping cloud layers. Cloud parameterizations are very important both in global climate models and in studies of the Earth's radiation budget. Most cloud retrieval schemes, such as the bispectral method used by the International Satellite Cloud Climatology Project (ISCCP), have no way of determining whether overlapping cloud layers exist in any group of satellite pixels. One promising method uses fuzzy logic to determine whether mixed cloud and/or surface types exist within a group of pixels, such as cirrus, land, and water, or cirrus and stratus. When two or more class types are present, fuzzy logic uses membership values to assign the group of pixels partially to the different class types. The strength of fuzzy logic lies in its ability to work with patterns that may include more than one class, facilitating greater information extraction from satellite radiometric data. The development of the fuzzy logic rule-based expert system involves training the fuzzy classifier with spectral and textural features calculated from accurately labeled 32x32 regions of Advanced Very High Resolution Radiometer (AVHRR) 1.1-km data. The spectral data consists of AVHRR channels 1 (0.55-0.68 mu m), 2 (0.725-1.1 mu m), 3 (3.55-3.93 mu m), 4 (10.5-11.5 mu m), and 5 (11.5-12.5 mu m), which include visible, near-infrared, and infrared window regions. The textural features are based on the gray level difference vector (GLDV) method. A sophisticated new interactive visual image Classification System (IVICS) is used to label samples chosen from scenes collected during the FIRE IFO II. The training samples are chosen from predefined classes, chosen to be ocean, land, unbroken stratiform, broken stratiform, and cirrus. The November 28, 1991 NOAA overpasses contain complex multilevel cloud situations ideal for training and validating the fuzzy logic expert system.

Tovinkere, Vasanth↗
DOE OSTI2021

Grid Service Values of Generic Marginal Building Flexibility in Modeled 2030 U.S. Power Systems

The datasets include the capacity, energy, and ancillary service values of a marginal kilowatt-hour (kWh) of generic, daily, shiftable building flexibility as a presumed market entrant in the 2030 U.S. power systems. The results should be interpreted along with the caveats listed in "Valuation of Building Flexibility: Grid Service Value for Initial Market Entrants in Projected 2030 United States Power Systems", which also documents the methods used for the study. The factors examined in the study include: grid scenario, region, original usage hour in the day (local time), and building flexibility parameters - efficiency, dissipation, and shifting window include max pre-shift and max post-shift. Filenames in the datasets: The filenames contain information on the grid scenario, and the building flexibility efficiency and dissipation. For example: MidCase_2030_efficiency1.25_dissipation0.05_value.csv contains all results under Mid RE 2020, efficiency = 1.25, and dissipation = 0.05. * MidCase = Mid RE Each .csv file contains: region: The location of the building flexibility, aligned with U.S. Energy Information Administration (EIA) National Energy Modeling System (NEMS) Electricity Market Module regions. max_pre_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift earlier. max_post_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift later. local_datetime: Original datetime of 1kWh of building energy consumption. local_orig_h: Original usage hour (1-24) of building energy consumption, ignores daylight saving. local_shift_to: The datetime to when building energy consumption shifts, if shifting happens. If no shifting occurs, this cell is left blank. energy: Net energy value of energy shifting. capacity: Net capacity value of energy shifting. shifting_value: Net energy plus capacity value of energy shifting. spin: Spin reserve value at the original datetime of consumption. flex: Flexible reserve value at the original datetime of consumption. reg: Regulation reserve value at the original datetime of consumption. total_profit: Assuming the building flexibility is capable of providing energy, capacity, and ancillary services, total profit is the maximum value of energy shifting value, spin reserve value, flexible reserve value, and regulation reserve value - one of the four choices at any given hour - because we do not allow its value to be double-counted.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1978

Global crop production forecasting: An analysis of the data system problems and their solutions

Data related problems in the acquisition and use of satellite data necessary for operational forecasting of global crop production are considered for the purpose of establishing a measurable baseline. For data acquisition the world was divided into 37 crop regions in 22 countries. These regions represent approximately 95 percent of the total world production of the selected crops of interest, i.e., wheat, corn, soybeans, and rice. Targets were assigned to each region. Limited time periods during which data could be taken (windows) were assigned to each target. Each target was assigned to a cloud region. The DSDS was used to measure the success of obtaining data for each target during the specified windows for the regional cloud conditions and the specific alternatives being analyzed. The results of this study suggest several approaches for an operational system that will perform satisfactorily with two LANDSAT type satellites.

Neiers, J.↗
NASA NTRS2020

Overview and Status of EXCLAIM, the Experiment for Cryogenic Large-Aperture Intensity Mapping

The EXperiment for Cryogenic Large-Aperture Intensity Mapping (EXCLAIM) is a balloon-borne far-infrared telescope that will survey star formation history over cosmological time scales to improve our un-derstanding of why the star formation rate declined at redshiftz <2, despite continued clustering of darkmatter. Specifically, EXCLAIM will map the emission of redshifted carbon monoxide and singly ionized carbon lines in windows over a redshift range0< z <3.5, following an innovative approach known asintensity mapping. Intensity mapping measures the statistics of brightness fluctuations of cumulative lineemissions, as opposed to detecting individual galaxies, thus enabling a blind, complete census of the emittinggas. To detect this emission unambiguously, EXCLAIM will cross-correlate with a rich spectroscopic galaxycatalog. The EXCLAIM mission will use a cryogenic design to cool the telescope optics to approximately1.7K. The telescope will feature a90-cm primary mirror to probe spatial scales on the sky from the linearregime up to shot-noise-dominated scales. The telescope optical elements will couple to six μ-Spec spectrom-eter modules, operating over a420–540-GHz frequency band with a spectral resolution of512and featuringMicrowave Kinetic Inductance Detectors (MKIDs). In the baseline design, the detectors will be read out witha Radio Frequency System-on-Chip (RFSoC). The cryogenic telescope and the sensitive detectors will allowEXCLAIM to reach high sensitivity in spectral windows of low emission in the upper atmosphere. Here, anoverview of the mission design and development status since the start of the EXCLAIM project in early 2019 is presented.

Giuseppe Cataldo↗
DOE OSTI2024

A windowed mean trajectory approximation for condensed phase dynamics

We propose a trajectory-based quasi-classical method for approximating dynamics in condensed phase systems. Building upon the previously developed optimized mean trajectory approximation that has been used to compute linear and nonlinear spectra, we borrow some ideas from filtering trajectory methods to obtain a novel semiclassical method for the dynamical propagation of density matrices. This new approximation is tested rigorously against standard multistate electronic models, spin-boson models, and models of the Fenna–Matthews–Olson complex. For dissipative systems, the current method is significantly better or as good as many other semiclassical methods available, especially at low temperatures and for off-diagonal density matrix elements, whereas for scattering models, the current method bears similar limitations as mean-field propagation schemes. All results are tested against the numerically exact hierarchical equations of motion method. In conclusion, the new method shows excellent agreement across various parameter regimes with numerically exact results, highlighting the robustness and accuracy of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗