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DOE OSTI2013

Mitigation Plans for the Microbunching-Instability-Related COTR at ASTA/FNAL

At the Advanced Superconducting Test Accelerator (ASTA) now under construction at Fermilab, we anticipate the appearance of the microbunching instability related to the longitudinal space charge (LSC) impedances. With a photoinjector source and up to two chicane compressors planned, the conditions should result in the shift of some microbunched features into the visible light regime. The presence of longitudinal microstructures (microbunching) in the electron beam or the leading edge spikes can result in strong, spatially localized coherent enhancements of optical transition radiation (COTR) that mask the actual beam profile. Several efforts on mitigation of the effects in the diagnostics task have been identified. At ASTA we have designed the beam profiling stations to have mitigation features based on spectral filtering, scintillator choice, and the timing of the trigger to the digital camera's CCD chip. Since the COTR is more intense in the NIR than UV we have selectable bandpass filters centered at 420 nm which also overlap the spectral emissions of the LYSO:Ce scintillators. By delaying the CCD trigger timing of the integration window by 40-50 ns, we can reject the prompt OTR signal and integrate on the delayed scintillator light predominately. This combination of options should allow mitigation of COTR enhancements of order 100-1000 in the distribution.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

A Review of Medium-Mn, Low-Density Steels for Transportation Applications

Low-density steels constitute a broad and complex alloy space (Fe–Mn–Al–C) suitable for a variety of applications. In particular, there has been growing interest in duplex (ferrite + austenite) or multiphase (+ martensite, carbides) low-density steels as a lightweight, advanced high-strength steel (AHSS) for vehicle applications, spurred by extensive decarbonization efforts. Medium-Mn (med-Mn) (3 to 12 wt pct) steels with 3.5 to 10 wt pct Al additions have decreased densities, presenting an interesting opportunity for high-specific strength, intrusion-resistant, and energy-absorbing sheet components with reduced alloying contents compared to high-Mn grades like austenitic Fe–Mn–Al–C or twinning-induced plasticity steels. Compared to leaner med-Mn steels, the physical metallurgy of med-Mn, low-density steels (MMLS) is complex and distinguished by increased δ-ferrite fractions and austenite stacking fault energies, decreased martensite start temperatures, and modified phase transformation windows. Mechanical properties of MMLS are comparable to 3rd generation AHSS, attributable to the unique, multiphase microstructures, and the array of strengthening mechanisms that can be accessed. Despite this, challenges and unknowns remain with respect to their industrial implementation, and new processing routes may need to be developed. Here, this review aims to highlight the composition effects, processing methods, microstructural evolution, deformation behavior, and application properties geared toward manufacturing and performance, altogether assessing the potential of MMLS for transportation applications.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Application of a single area array detector for acquistion, tracking and point-ahead in space optical communications

Functions of acquisition, tracking, and point-ahead in space optical communications are being combined into a single system utilizing an area array detector. An analysis is presented of the feasibility concept. The key parameters are: optical power less than 1 pW at 0.86 micrometer, acquisition in less than 30 seconds in an acquisition field of view (FOV) of 1 mrad, tracking with 0.5 microrad rms noise at 1000 Hz update rate, and point ahead transfer function precision of 0.25 microrad over a region of 150 microrad. Currently available array detectors were examined. The most demanding specifications are low output noise, a high detection efficiency, a large number of pixels, and frame rates over 1kHz. A proof of concept (POC) demonstration system is currently being built utilizing the Kodak HS-40 detector (a 128 x 128 photodiode array with a 64 channel CCD readout architecture which can be operated at frame rates as high as 40,000/sec). The POC system implements a windowing scheme and special purpose digital signal processing electronic for matched filter acquisition and tracking algorithms.

Clark, D. L.↗

NASA NTRS1989

Application of a single area array detector for acquisition, tracking and point-ahead in space optical communications

Clark, D. L.↗

NASA NTRS1985

N/P GaAs concentrator solar cells with an improved grid and bushbar contact design

The major requirements for a solar cell used in space applications are high efficiency at AMO irradiance and resistance to high energy radiation. Gallium arsenide, with a band gap of 1.43 eV, is one of the most efficient sunlight to electricity converters (25%) when the the simple diode model is used to calculate efficiencies at AMO irradiance, GaAs solar cells are more radiation resistant than silicon solar cells and the N/P GaAs device has been reported to be more radiation resistant than similar P/N solar cells. This higher resistance is probably due to the fact that only 37% of the current is generated in the top N layer of the N/P cell compared to 69% in the top layer of a P/N solar cell. This top layer of the cell is most affected by radiation. It has also been theoretically calculated that the optimized N/P device will prove to have a higher efficiency than a similar P/N device. The use of a GaP window layer on a GaAs solar cell will avoid many of the inherent problems normally associated with a GaAlAs window while still proving good passivation of the GaAs surface. An optimized circular grid design for solar cell concentrators has been shown which incorporates a multi-layer metallization scheme. This multi-layer design allows for a greater current carrying capacity for a unit area of shading, which results in a better output efficiency.

Desalvo, G. C.↗

NASA NTRS2009

Launch Order, Launch Separation, and Loiter in the Constellation 1 1/2-Launch Solution

The NASA Constellation Program (CxP) is developing a two-element Earth-to-Orbit launch system to enable human exploration of the Moon. The first element, Ares I, is a human-rated system that consists of a first stage based on the Space Shuttle Program's solid rocket booster (SRB) and an upper stage that consists of a four-crew Orion capsule, a service module, and a Launch Escape System. The second element, Ares V, is a Saturn V-plus category launch system that consists of the core stage with a cluster of six RS-68B engines and augmented with two 5.5-segment SRBs, a Saturn-derived J-2X engine powering an Earth Departure Stage (EDS), and the lunar-lander vehicle payload, Altair. Initial plans called for the Ares V to be launched first, followed the next day by the Ares I. After the EDS performs the final portion of ascent and subsequent orbit circularization, the Orion spacecraft then performs a rendezvous and docks with the EDS and its Altair payload. Following checkout, the integrated stack loiters in low Earth orbit (LEO) until the appropriate Trans-Lunar Injection (TLI) window opportunity opens, at which time the EDS propels the integrated Orion Altair to the Moon. Successful completion of this 1 1/2-launch solution carries risks related to both the orbital lifetime of the assets and the probability of achieving the launch of the second vehicle within the orbital lifetime of the first. These risks, which are significant in terms of overall system design choices and probability of mission success, dictated a thorough reevaluation of the launch strategy, including the order of vehicle launch and the planned time period between launches. The goal of the effort described in this paper was to select a launch strategy that would result in the greatest possible expected system performance, while accounting for launch risks and the cost of increased orbital lifetime. Discrete Event Simulation (DES) model of the launch strategies was created to determine the probability of a second launch not occurring in a timely fashion (i.e., before the assets waiting in LEO expire). An overview of the launch strategy evaluation process is presented, along with results of specific cases that were analyzed. A high-level comparison of options is then presented, along with the conclusion derived from the analysis.

Stromgren, Chel↗

NASA NTRS2006

The Role of Materials Degradation and Analysis in the Space Shuttle Columbia Accident Investigation

The efforts following the loss of the Space Shuttle Columbia included debris recovery, reconstruction, and analysis. The debris was subjected to myriad quantitative and semiquantitative chemical analysis techniques, ranging from examination via the scanning electron microscope (SEM) with energy dispersive spectrometer (EDS) to X-Ray diffraction (XRD) and electron probe micro-analysis (EPMA). The results from the work with the debris helped the investigators determine the location where a breach likely occurred in the leading edge of the left wing during lift off of the Orbiter from the Kennedy Space Center. Likewise, the information evidenced by the debris was also crucial in ascertaining the path of impinging plasma flow once it had breached the wing. After the Columbia Accident Investigation Board (CAIB) issued its findings, the major portion of the investigation was concluded. However, additional work remained to be done on many pieces of debris from portions of the Orbiter which were not directly related to the initial impact during ascent. This subsequent work was not only performed in the laboratory, but was also performed with portable equipment, including examination via portable X-Ray fluorescence (XRF) and Fourier transform infrared spectroscopy (FTIR). Likewise, acetate and silicon-rubber replicas of various fracture surfaces were obtained for later macroscopic and fractographic examination. This paper will detail the efforts and findings from the initial investigation, as well as present results obtained by the later examination and analysis of debris from the Orbiter including its windows, bulkhead structures, and other components which had not been examined during the primary investigation.

McDanels, Steven J.↗

NASA NTRS2013

International Space Station Instmments Collect Imagery of Natural Disasters

A new focus for utilization of the International Space Station (ISS) is conducting basic and applied research that directly benefits Earth's citizenry. In the Earth Sciences, one such activity is collecting remotely sensed imagery of disaster areas and making those data immediately available through the USGS Hazards Data Distribution System, especially in response to activations of the International Charter for Space and Major Disasters (known informally as the "International Disaster Charter", or IDC). The ISS, together with other NASA orbital sensor assets, responds to IDC activations following notification by the USGS. Most of the activations are due to natural hazard events, including large floods, impacts of tropical systems, major fires, and volcanic eruptions and earthquakes. Through the ISS Program Science Office, we coordinate with ISS instrument teams for image acquisition using several imaging systems. As of 1 August 2013, we have successfully contributed imagery data in support of 14 Disaster Charter Activations, including regions in both Haiti and the east coast of the US impacted by Hurricane Sandy; flooding events in Russia, Mozambique, India, Germany and western Africa; and forest fires in Algeria and Ecuador. ISS‐based sensors contributing data include the Hyperspectral Imager for the Coastal Ocean (HICO), the ISERV (ISS SERVIR Environmental Research and Visualization System) Pathfinder camera mounted in the US Window Observational Research Facility (WORF), the ISS Agricultural Camera (ISSAC), formerly operating from the WORF, and high resolution handheld camera photography collected by crew members (Crew Earth Observations). When orbital parameters and operations support data collection, ISS‐based imagery adds to the resources available to disaster response teams and contributes to the publicdomain record of these events for later analyses.

Evans, C. A.↗

DOE OSTI2012

Long-Term Results: New Construction Occupied Test House, Urbana, Illinois

For this study, a house was designed and built to the Passive House (Passivhaus) Standard for low energy consumption. The house incorporates an airtight, super-insulated thermal enclosure, southern facing windows with overhangs, a single point mini-split heat pump and electric resistance heaters, and a balanced energy recovery ventilator (ERV). The house was instrumented with sub-metering on all major electrical circuits, temperature and humidity measurements in each room, domestic hot water consumption, and recovery efficiency of the ERV. The energy performance was documented and compared to modeled predictions, and the thermal comfort performance of the heat pump was assessed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2002

Orbital Propagation of Momentum Exchange Tether Systems

An advanced concept in in-space transportation currently being studied is the Momentum-Exchange/Electrodynamic Reboost Tether System (MXER). The system acts as a large momentum wheel, imparting a Av to a payload in low earth orbit (LEO) at the expense of its own orbital energy. After throwing a payload, the system reboosts itself using an electrodynamic tether to push against Earth's magnetic field and brings itself back up to an operational orbit to prepare for the next payload. The ability to reboost itself allows for continued reuse of the system without the expenditure of propellants. Considering the cost of lifting propellant from the ,ground to LEO to do the same Av boost at $10000 per pound, the system cuts the launch cost of the payload dramatically, and subsequently, the MXER system pays for itself after a small number of missions.1 One of the technical hurdles to be overcome with the MXER concept is the rendezvous maneuver. The rendezvous window for the capture of the payload is on the order of a few seconds, as opposed to traditional docking maneuvers, which can take as long ets necessary to complete a precise docking. The payload, therefore, must be able to match its orbit to meet up with the capture device on the end of the tether at a specific time and location in the future. In order to be able to determine that location, the MXER system must be numerically propagated forward in time to predict where the capture device will be at that instant. It should be kept in mind that the propagation computation must be done faster than real-time. This study focuses on the efforts to find and/or build the tools necessary to numerically propagate the motion of the MXER system as accurately as possible.

John Westerhoff↗

NASA NTRSDate not supplied

NASA’s Orbital Debris Optical Program: ES-MCAT Nearing Full Operational Capability (FOC)

The NASA JAO/ES-MCAT (Eugene Stansbery Meter Class Autonomous Telescope) Facility is nearing Full Operational Capability, or FOC. ES-MCAT is now fully capable of autonomously running all observations, including: (a) monitoring weather and closing when conditions are not safe, as well as halting observations when conditions are not suitable (e.g. too cloudy) for operations, (b) start-up/shut-down nightly tasking, (c) collecting calibration data and survey or TLE-tracked data, and (d) processing all collected data, including on-chip photometry and astrometry calibrations using the GAIA star catalogue. The processed data are then further analyzed at NASA Johnson Space Center to correlate detections with known objects in the Space Surveillance Network (SSN) catalogue. MCAT can collect data of specific objects with known orbits or can search for objects with orbits similar to those of spacecraft or rocket bodies that have recently broken up. However, the primary goal for ES-MCAT is to survey the geosynchronous (GEO) belt to provide a statistical sample of the GEO debris environment for both engineering models for spacecraft designers and long-term environment evolutionary purposes. The approach for sweeping the sky to statistically survey GEO has been investigated and updated from past surveys taken by NASA and will be reported, herein referred to as the Candy Cane method. ES-MCAT’s optical performance and the limiting magnitude for the full optical system will be discussed. An analysis used to determine which filter to use for GEO surveys (SDSS r′) includes combining the reflectivity of the primary and secondary mirrors, transmission of the field corrector and CCD window, and the quantum efficiency of the CCD detector, resulting in throughput of the full optical path. This throughput is then combined with the expected typical transparency of the atmosphere at ES-MCAT’s altitude/location for the Sloan Digital Sky Survey (SDSS) g′r′i′z′ and Johnson/Kron-Cousins BVRI filters to yield expected relative throughput.

S. M. Lederer↗

DOE OSTI2024

Crescendo beyond the horizon: More gravitational waves from domain walls bounded by inflated cosmic strings

Gravitational-wave (GW) signals offer a unique window into the dynamics of the early universe. GWs may be generated by the topological defects produced in the early universe, which contain information on the symmetry of UV physics. We consider the case in which a two-step phase transition produces a network of domain walls bounded by cosmic strings. Specifically, we focus on the case in which there is a hierarchy in the symmetry-breaking scales, and a period of inflation pushes the cosmic string generated in the first phase transition outside the horizon before the second phase transition. We show that the GW signal from the evolution and collapse of this string-wall network has a unique spectrum, and the resulting signal strength can be sizeable. In particular, depending on the model parameters, the resulting signal can show up in a broad range of frequencies and can be discovered by a multitude of future probes, including the pulsar timing arrays and space- and ground-based GW observatories. As an example that naturally gives rise to this scenario, we present a model with the first phase transition followed by a brief period of thermal inflation driven by the field responsible for the second stage of symmetry breaking. Here, the model can be embedded into a supersymmetric setup, which provides a natural realization of this scenario. In this case, the successful detection of the peak of the GW spectrum probes the soft supersymmetry breaking scale and the wall tension.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2001

The Role of Clear Sky Identification in the Study of Cloud Radiative Effects: Combine Analysis from ISCCP and the Scanner of Radiation Budget (ScaRaB)

Since the effect of clouds on the earth's radiation balance is often estimated as the difference of net radiative fluxes at the top of the atmosphere between all situations and monthly averaged clear sky situations of the same regions, a reliable identification of clear sky is important for the study of cloud radiative effects. The Scanner for Radiation Balance (ScaRaB) radiometer on board the Russian Meteor-3/7 satellite provided earth radiation budget observations from March 1994 to February 1995 with two ERBE-Re broad-band longwave and shortwave channels. Two narrow-band channels, in the infrared atmospheric window and in the visible band, have been added to the ScaRaB instrument to improve the cloud scene identification. The International Satellite Cloud Climatology Project (ISCCP) method for cloud detection and determination of cloud and surface properties uses the same narrow-band channels as ScaRaB, but is employed to a collection of measurements at a better spatial resolution of about 5 km. By applying the original ISCCP algorithms to the ScaRaB data, the clear sky frequency is about 5% lower than the one over quasi-simultaneous original ISCCP data, an indication that the ISCCP cloud detection is quite stable. However, one would expect an about 10 to 20% smaller clear sky occurrence over the larger ScaRaB pixels. Adapting the ISCCP algorithms to the reduced spatial resolution of 60 km and to the different time sampling of the ScaRaB data leads therefore to a reduction of a residual cloud contamination. A sensitivity study with time-space collocated ScaRaB and original ISCCP data at a spatial resolution of 1deg longitude x 1deg latitude shows that the effect of clear sky identification method plays a higher role on the clear sky frequency and therefore on the statistics than on the zonal mean values of the clear sky fluxes. Nevertheless, the zonal outgoing longwave fluxes corresponding to ERBE clear sky are in general about 2 to 10 W/sq m higher than those obtained from the ScaRaB adapted ISCCP clear sky identifications. The latter are close to (about 1 W/sq m higher) fluxes corresponding to clear sky regions from original ISCCP data, whereas ScaRaB clear sky LW fluxes obtained with the original ISCCP identification lie about 1 to 2 W/sq m below. Especially in the tropics where water vapor abundance is high, the ERBE clear sky LW fluxes seem to be systematically overestimated by about 4 W/sq m, and SW fluxes are lower by about 5 to 10 W/sq m. However, the uncertainty in the analysis of monthly mean zonal cloud radiative effects is also produced by the low frequency of clear sky occurrence, illustrated when averaging over pixels or even over regions of 4deg longitude x 5deg latitude, corresponding to the spatial resolution of General Circulation Models. The systematic bias in the clear sky fluxes is not reflected in the zonal cloud radiative effects, because the clear sky regions selected by the different algorithms can occur in different geographic regions with different cloud properties.

Rossow, W. B.↗

NASA NTRS2012

System-of-Systems Technology-Portfolio-Analysis Tool

Advanced Technology Life-cycle Analysis System (ATLAS) is a system-of-systems technology-portfolio-analysis software tool. ATLAS affords capabilities to (1) compare estimates of the mass and cost of an engineering system based on competing technological concepts; (2) estimate life-cycle costs of an outer-space-exploration architecture for a specified technology portfolio; (3) collect data on state-of-the-art and forecasted technology performance, and on operations and programs; and (4) calculate an index of the relative programmatic value of a technology portfolio. ATLAS facilitates analysis by providing a library of analytical spreadsheet models for a variety of systems. A single analyst can assemble a representation of a system of systems from the models and build a technology portfolio. Each system model estimates mass, and life-cycle costs are estimated by a common set of cost models. Other components of ATLAS include graphical-user-interface (GUI) software, algorithms for calculating the aforementioned index, a technology database, a report generator, and a form generator for creating the GUI for the system models. At the time of this reporting, ATLAS is a prototype, embodied in Microsoft Excel and several thousand lines of Visual Basic for Applications that run on both Windows and Macintosh computers.

O'Neil, Daniel↗

NASA NTRS2025

Mind the Gap: Addressing Data Gaps and Assessing Noise Mismodeling in LISA

Due to the sheer complexity of the Laser Interferometer Space Antenna (LISA) space mission, data gaps arising from instrumental irregularities and/or scheduled maintenance are unavoidable. Focusing on merger-dominated massive black hole binary signals, we test the appropriateness of the Whittle-likelihood on gapped data in a variety of cases. From first principles, we derive the likelihood valid for gapped data in both the time and frequency domains. Cheap-to-evaluate proxies to p-p plots are derived based on a Fisher-based formalism, and verified through Bayesian techniques. Our tools allow to predict the altered variance in the parameter estimates that arises from noise mismodeling, as well as the information loss represented by the broadening of the posteriors. The result of noise mismodeling with gaps is sensitive to the characteristics of the noise model, with strong low-frequency (red) noise and strong high-frequency (blue) noise giving statistically significant fluctuations in recovered parameters. We demonstrate that the introduction of a tapering window reduces statistical inconsistency errors, at the cost of less precise parameter estimates. We also show that the assumption of independence between inter-gap segments appears to be a fair approximation even if the data set is inherently coherent. However, if one instead assumes fictitious correlations in the data stream, when the data segments are actually independent, then the resultant parameter recoveries could be inconsistent with the true parameters. The theoretical and numerical practices that are presented in this work could readily be incorporated into global-fit pipelines operating on gapped data.

LISA↗

DOE OSTI2024

Trailblazing Kr/Xe Separation: The Birth of the First Kr-Selective Material

Efficient separation of Kr from Kr/Xe mixtures is pivotal in nuclear waste management and dark matter research. Thus far, scientists have encountered a formidable challenge: the absence of a material with the ability to selectively adsorb Kr over Xe at room temperature. This study presents a groundbreaking transformation of the renowned metal–organic framework (MOF) CuBTC, previously acknowledged for its Xe adsorption affinity, into an unparalleled Kr-selective adsorbent. This achievement stems from an innovative densification approach involving systematic compression of the MOF, where the crystal size, interparticle interaction, defects, and evacuation conditions are synergistically modulated. The resultant densified CuBTC phase exhibits exceptional mechanical resilience, radiation tolerance, and notably an unprecedented selectivity for Kr over Xe at room temperature. Simulation and experimental kinetic diffusion studies confirm reduced gas diffusion in the densified MOF, attributed to its small pore window and minimal interparticle voids. The lighter Kr element demonstrates facile surface passage and higher diffusivity within the material, while the heavier Xe encounters increased difficulty entering the material and lower diffusivity. This Kr-selective MOF not only represents a significant breakthrough in Kr separation but also demonstrates remarkable processability and scalability to kilogram levels. Furthermore, the findings presented herein underscore the transformative potential of engineered MOFs in addressing complex challenges, heralding a new era of Kr separation technologies.

36 MATERIALS SCIENCE↗

NASA NTRS2003

Solar Thermal Propulsion Improvements at Marshall Space Flight Center

Solar Thermal Propulsion (STP) is a concept which operates by transferring solar energy to a propellant, which thermally expands through a nozzle. The specific impulse performance is about twice that of chemical combustions engines, since there is no need for an oxidizer. In orbit, an inflatable concentrator mirror captures sunlight and focuses it inside an engine absorber cavity/heat exchanger, which then heats the propellant. The primary application of STP is with upperstages taking payloads from low earth orbit to geosynchronous earth orbit or earth escape velocities. STP engines are made of high temperature materials since heat exchanger operation requires temperatures greater than 2500K. Refractory metals such as tungsten and rhenium have been examined. The materials must also be compatible with hot hydrogen propellant. MSFC has three different engine designs, made of different refractory metal materials ready to test. Future engines will be made of high temperature carbide materials, which can withstand temperatures greater than 3000K, hot hydrogen, and provide higher performance. A specific impulse greater than 1000 seconds greatly reduces the amount of required propellant. A special 1 OkW solar ground test facility was made at MSFC to test various STP engine designs. The heliostat mirror, with dual-axis gear drive, tracks and reflects sunlight to the 18 ft. diameter concentrator mirror. The concentrator then focuses sunlight through a vacuum chamber window to a small focal point inside the STP engine. The facility closely simulates how the STP engine would function in orbit. The flux intensity at the focal point is equivalent to the intensity at a distance of 7 solar radii from the sun.

Gerrish, Harold P.↗

DOE OSTI2015

Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

Pump-probe electronic spectroscopy using femtosecond laser pulses has evolved into a standard tool for tracking ultrafast excited state dynamics. Its two-dimensional (2D) counterpart is becoming an increasingly available and promising technique for resolving many of the limitations of pump-probe caused by spectral congestion. The ability to simulate pump-probe and 2D spectra from ab initio computations would allow one to link mechanistic observables like molecular motions and the making/breaking of chemical bonds to experimental observables like excited state lifetimes and quantum yields. From a theoretical standpoint, the characterization of the electronic transitions in the visible (Vis)/ultraviolet (UV), which are excited via the interaction of a molecular system with the incoming pump/probe pulses, translates into the determination of a computationally challenging number of excited states (going over 100) even for small/medium sized systems. A protocol is therefore required to evaluate the fluctuations of spectral properties like transition energies and dipole moments as a function of the computational parameters and to estimate the effect of these fluctuations on the transient spectral appearance. In the present contribution such a protocol is presented within the framework of complete and restricted active space self-consistent field theory and its second-order perturbation theory extensions. The electronic excited states of adenine have been carefully characterized through a previously presented computational recipe [Nenov et al., Comput. Theor. Chem. 1040–1041, 295-303 (2014)]. A wise reduction of the level of theory has then been performed in order to obtain a computationally less demanding approach that is still able to reproduce the characteristic features of the reference data. Foreseeing the potentiality of 2D electronic spectroscopy to track polynucleotide ground and excited state dynamics, and in particular its expected ability to provide conformational dependent fingerprints in dimeric systems, the performances of the selected reduced level of calculations have been tested in the construction of 2D electronic spectra for the in vacuo adenine monomer and the unstacked adenine homodimer, thereby exciting the L{sub b}/L{sub a} transitions with the pump pulse pair and probing in the Vis to near ultraviolet spectral window.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗