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NASA NTRS2010

Ares V: Progress Toward Unprecedented Heavy Lift

Every major examination of America s spaceflight capability since the Apollo program has highlighted and reinforced the need for a heavy lift vehicle for human exploration, science, national security, and commercial development. The Ares V is NASA s most recent effort to address this gap and provide the needed heavy lift capability for NASA and the nation. An Ares V-class heavy lift capability is important to supporting beyond earth orbit (BEO) human exploration. Initially, that consists of exploration of the Moon vastly expanded from the narrow equatorial Apollo missions to a global capability that includes the interesting polar regions. It also enables a permanent human outpost. Under the current program of record, both the Ares V and the lunar exploration it enables serve as a significant part of the technology and experience base for exploration beyond the Moon, including Mars, asteroids, and other destinations. The Ares V is part of NASA s Constellation Program architecture. The Ares V remains in an early stage of concept development, while NASA focused on development of the Ares I crew launch vehicle to replace the Space Shuttle fleet. However, Ares V development has benefitted from its commonality with Ares I, the Shuttle, and contemporary programs on which its design is based. The Constellation program is currently slated for cancellation under the proposed 2011 federal budget, pending review by the legislative branch. However, White House guidance on its 2011 budget retains funding for heavy lift research. This paper will discuss progress to date on the Ares V and its potential utility to payload users.

Sumrall, Phil↗

NASA NTRS2010

Ares I-X Range Safety Simulation Verification and Analysis IV and V

NASA s ARES I-X vehicle launched on a suborbital test flight from the Eastern Range in Florida on October 28, 2009. NASA generated a Range Safety (RS) flight data package to meet the RS trajectory data requirements defined in the Air Force Space Command Manual 91-710. Some products included in the flight data package were a nominal ascent trajectory, ascent flight envelope trajectories, and malfunction turn trajectories. These data are used by the Air Force s 45th Space Wing (45SW) to ensure Eastern Range public safety and to make flight termination decisions on launch day. Due to the criticality of the RS data in regards to public safety and mission success, an independent validation and verification (IV&V) effort was undertaken to accompany the data generation analyses to ensure utmost data quality and correct adherence to requirements. Multiple NASA centers and contractor organizations were assigned specific products to IV&V. The data generation and IV&V work was coordinated through the Launch Constellation Range Safety Panel s Trajectory Working Group, which included members from the prime and IV&V organizations as well as the 45SW. As a result of the IV&V efforts, the RS product package was delivered with confidence that two independent organizations using separate simulation software generated data to meet the range requirements and yielded similar results. This document captures ARES I-X RS product IV&V analysis, including the methodology used to verify inputs, simulation, and output data for an RS product. Additionally a discussion of lessons learned is presented to capture advantages and disadvantages to the IV&V processes used.

Tarpley, Ashley↗

NASA NTRS2011

USM3D Simulations of Saturn V Plume Induced Flow Separation

The NASA Constellation Program included the Ares V heavy lift cargo vehicle. During the design stage, engineers questioned if the Plume Induced Flow Separation (PIFS) that occurred along Saturn V rocket during moon missions at some flight conditions, would also plague the newly proposed rocket. Computational fluid dynamics (CFD) was offered as a tool for initiating the investigation of PIFS along the Ares V rocket. However, CFD best practice guidelines were not available for such an investigation. In an effort to establish a CFD process and define guidelines for Ares V powered simulations, the Saturn V vehicle was used because PIFS flight data existed. The ideal gas, computational flow solver USM3D was evaluated for its viability in computing PIFS along the Saturn V vehicle with F-1 engines firing. Solutions were computed at supersonic freestream conditions, zero degree angle of attack, zero degree sideslip, and at flight Reynolds numbers. The effects of solution sensitivity to grid refinement, turbulence models, and the engine boundary conditions on the predicted PIFS distance along the Saturn V were discussed and compared to flight data from the Apollo 11 mission AS-506.

Deere, Karen↗

NASA NTRS2014

Stellar Laboratories II. New Zn Iv and Zn v Oscillator Strengths and Their Validation in the Hot White Dwarfs G191-B2B and RE0503-289

Context. For the spectral analysis of high-resolution and high-signal-to-noise (SN) spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. In a recent analysis of the ultraviolet (UV) spectrum of the DA-type white dwarf G191B2B,21 Zn iv lines were newly identified. Because of the lack of Zn iv data, transition probabilities of the isoelectronic Ge vi were adapted for a first, coarse determination of the photospheric Zn abundance.Aims. Reliable Zn iv and Zn v oscillator strengths are used to improve the Zn abundance determination and to identify more Zn lines in the spectra of G191B2B and the DO-type white dwarf RE 0503289. Methods. We performed new calculations of Zn iv and Zn v oscillator strengths to consider their radiative and collisional bound-bound transitions in detail in our NLTE stellar-atmosphere models for the analysis of the Zn iv v spectrum exhibited in high-resolution and high-SN UV observations of G191B2B and RE 0503289. Results. In the UV spectrum of G191B2B, we identify 31 Zn iv and 16 Zn v lines. Most of these are identified for the first time in any star. We can reproduce well almost all of them at log Zn 5.52 0.2 (mass fraction, about 1.7 times solar). In particular, the Zn iv Zn v ionization equilibrium, which is a very sensitive Teff indicator, is well reproduced with the previously determined Teff 60 000 2000 K and log g 7.60 0.05. In the spectrum of RE 0503289, we identified 128 Zn v lines for the first time and determined log Zn 3.57 0.2 (155 times solar). Conclusions. Reliable measurements and calculations of atomic data are a pre-requisite for stellar-atmosphere modeling. Observed Zn iv and Zn v line profiles in two white dwarf (G191B2B and RE 0503289) ultraviolet spectra were well reproduced with our newly calculated oscillator strengths. This allowed us to determine the photospheric Zn abundance of these two stars precisely.

strengths↗

DOE OSTI2024

Self-compensation of group-V acceptors in CdTe

Cadmium Telluride is at the core of an important thin-film technology for photovoltaics that is already commercially available, yet the CdTe-based solar cell efficiency remains limited at 22%, well below the theoretical limit of ~30%. Increasing the hole concentration is crucial for higher efficiency, and group-V elements such as As, P, and Sb are potential dopants as they are shallow acceptors. Nevertheless, group-V doped p-type CdTe often exhibits low doping activation, and the compensation source remains debated. Here, we performed hybrid density functional calculations with spin-orbit coupling to investigate possible sources of hole compensation in group-V doped CdTe. First, regarding possible self-compensation of the group-V dopants, we find that the formation of AX centers is unlikely since they are found to be unstable relative to the shallow acceptor forms. However, if the group-V dopants come in during growth (such as dimer molecules As2, P2, and Sb2), we find that the impurity atoms, which would occupy nearest neighbor sites, maintain the V-V bonds, limiting the hole density. For the native defects, our study reveals that Cd interstitial is the lowest energy donor defect in p-type CdTe. Still, it has a small migration barrier of 0.5 eV, making it highly mobile and unstable at room temperature. The Te vacancy is the next lowest formation energy donor. The migration barrier of 1.4 eV indicates that the Te vacancy is stable at room temperature. The antisite CdTe is also a donor, with low formation energy and stable at room temperature, potentially limiting the hole concentration. Our results, therefore, shed light on possible compensation centers and some guidance on how to avoid them.

14 SOLAR ENERGY↗

NASA NTRS2013

A New Spinel-Olivine Oxybarometer: Near-Liquidus Partitioning of V between Olivine-Melt, Spinel-Melt, and Spinel-Olivine in Martian Basalt Composition Y980459 as a Function of Oxygen Fugacity

Our research on valence state partitioning began in 2005 with a review of Cr, Fe, Ti, and V partitioning among crystallographic sites in olivine, pyroxene, and spinel [1]. That paper was followed by several on QUE94201 melt composition and specifically on Cr, V, and Eu partitioning between pyroxene and melt [2-5]. This paper represents the continuation of our examination of the partitioning of multivalent V between olivine, spinel, and melt in martian olivine-phyric basalts of Y980459 composition [6, 7]. Here we introduce a new, potentially powerful oxybarometer, V partitioning between spinel and olivine, which can be used when no melt is preserved in the meteorite. The bulk composition of QUE94201 was ideal for our study of martian pyroxene-phyric basalts and specifically the partitioning between pyroxene-melt for Cr, V, and Eu. Likewise, bulk composition Y980459 is ideal for the study of martian olivine-phyric basalts and specifically for olivine-melt, spinel-melt, and spinel-olivine partitioning of V as a function of oxygen fugacity.

Papike, J. J.↗

DOE OSTI2025

High Radiation Resistance in the Binary W‐Ta System Through Small V Additions: A New Paradigm for Nuclear Fusion Materials

Abstract Refractory High‐Entropy Alloys (RHEAs) are promising candidates for structural materials in nuclear fusion reactors, where W‐based alloys are currently leading. Fusion materials must withstand extreme conditions, including i) severe radiation damage from energetic neutrons, ii) embrittlement due to H and He ion implantation, and iii) exposure to high temperatures and thermal gradients. Recent RHEAs, such as WTaCrV and WTaCrVHf, have shown superior radiation tolerance and microstructural stability compared to pure W, but their multi‐element compositions complicate bulk fabrication and limit practical use. In this study, it is demonstrated that reducing alloying elements in RHEAs is feasible without compromising radiation tolerance. Herein, two Highly Concentrated Refractory Alloys (HCRAs) − W 53 Ta 44 V 3 and W 53 Ta 42 V 5 (at.%) − were synthesized and investigated. We found that small V additions significantly influence the radiation response of the binary W–Ta system. Experimental results, supported by ab‐initio Monte Carlo simulations and machine‐learning‐driven molecular dynamics, reveal that minor variations in V content enhance Ta–V chemical short‐range order (CSRO), improving radiation resistance in the W 53 Ta 42 V 5 HCRA. By focusing on reducing chemical complexity and the number of alloying elements, the conventional high‐entropy alloy paradigm is challenged, suggesting a new approach to designing simplified multi‐component alloys with refractory properties for thermonuclear fusion applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Photoinduced Melting of V 4 O 7 Correlated State

The compound V 4 O 7 is one of the Magnéli phase (V n O 2n - 1 , n = 3, 4, …, 9) correlated vanadium oxides with distinct intriguing electronic and structural properties. The possibility to manipulate the phase state of V 4 O 7 on an ultrafast time scale by light makes this material promising for potential applications in photonics, optoelectronics, quantum, and neuromorphic circuit design. In this work, the ultrafast spectroscopy of V 4 O 7 reveals the second-order nature of the photoinduced insulator-to-metal transition, emphasizing electronic and lattice contributions. The findings reveal the influence of the laser excitation level and temperature on these dynamics, providing a comprehensive understanding of V 4 O 7 structural changes and response to external stimuli. The phenomenological model based on the Landau–Ginzburg formalism provides a robust framework for explaining the photoinduced transition dynamics, showing a detailed picture of the light interaction with the electronic and lattice subsystems. This integrated approach significantly enhances the understanding of V 4 O 7 complex behavior upon photoexcitation, opening new possibilities for developing new optoelectronic devices and noninvasive optical control of the phase transition pathways in vanadates.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Circumventing Radical Generation on Fe–V Atomic Pair Catalyst for Robust Oxygen Reduction and Zinc–Air Batteries

Iron–nitrogen–carbon (Fe–N–C) catalysts are considered the most active platinum-free alternative for oxygen reduction reaction (ORR), yet the generated reactive oxygen species (ROS) from general mechanistic pathway rapidly impair the ORR activity and stability of Fe–N–C. Herein, we establish and report an ORR pathway-switching strategy to circumvent ROS generation and fundamentally improve the activity and stability of Fe–N–C via DFT guided catalyst design. The constructed Fe–V atomic pair catalyst (Fe 1 V 1 -NC) with N 2 Fe-N 2 -VN 2 configuration enables side-on adsorption of O 2 and subsequent direct-breaking of the O═O bond to form O*, thereby avoiding the formation of ROS radicals. Importantly, there is intersite electron interaction between FeN 4 and VN 4 , which further boosts the ORR activity. Consequently, Fe 1 V 1 -NC exhibits outstanding ORR activity with onset and half-wave (E 1/2 ) potentials at 1.02 and 0.89 V versus RHE, respectively, in 0.1 M KOH. Record-high stability is achieved on Fe 1 V 1 -NC with a minimal decay in E 1/2 by 16 mV over 50000 cycles, surpassing Fe–N–C counterpart and most of the catalysts reported to date. The Fe 1 V 1 -NC-based zinc-air battery reported here demonstrates exceptional durability up to 400 h at 10 mA·cm −2 . This work identifies the intrinsic correlation between ORR pathway, activity, and stability, advancing development of stable catalytic systems.

Fe-N-C↗

DOE OSTI2024

PCET‐Driven Reactivity of Neptunyl(VI) Yields Oxo‐Bridged Np(V) and Np(IV) Species

Two unconventional polynuclear complexes of neptunium (Np) featuring mono-mathematical equation -oxo motifs have been accessed by proton-coupled electron transfer (PCET) reactivity involving the dissolution of neptunyl(VI) diacetate dihydrate (NpO 2 (OAc) 2 (H 2 O) 2 ∙ HOAc) in methanol followed by addition of a pentadentate Schiff-base ligand. One complex is a mixed-valent [Np V ,Np IV , Np V ] trimer with two bridging mathematical equation μ 2 -oxos and the other is a [Np V , Np V ] dimer featuring a single mathematical equation μ 2 -oxo. In both complexes the outer Np centers are capped with terminal oxo ligands. Spectroscopic and spectrokinetic studies aimed at elucidating mechanistic details of complex formation in this system show that intermediate multinuclear [Np V O 2 (OAc)] n species form prior to metal chelation by the ligand; electrolysis experiments demonstrate that production of Np(V) gives rise to asynchronous proton transfer that does not occur otherwise (in the Np(VI) state) as well as condensation with loss of H 2 O and formation of the polynuclear complexes. We attribute the oxo-deficient nature of these products, with respect to conventional actinyl ([AnO 2 ] m+ ) species, to the reduction/condensation reaction sequence of PCET.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Fluorinated polythiophenes with ester side chains for boosting the V OC and efficiency in non-fullerene polymer solar cells

As the power conversion efficiency (PCE) of organic photovoltaics (OPVs) approximates the 19 % threshold, wide bandgap (WBG) polythiophenes (PTs) have gained increasing attention due to their simple chemical structures and ease of synthesis, making them promising candidates for large-scale production. However, the benchmark polymer poly(3-hexylthiophene) (P3HT) is limited by its high-lying HOMO energy level, which restricts the open-circuit voltage (V OC ) in solar cells. Here, in this study, we introduce a novel series of PT derivatives (PDC8-T, PDC8-3T, PDC16-3T, and PDC16-3T-2F) featuring ester side chains designed to fine-tune electronic properties through a streamlined three-step synthesis. Additionally, we incorporated a π-spacer to reduce steric hindrance and elongated alkyl side chains to improve solubility and processability. Compared to P3HT, these PT derivatives demonstrate a significant reduction in HOMO energy levels, lowering by approximately 0.3–0.4 eV. Among them, PDC16-3T-2F—with fluorine atom substitution—achieves the lowest HOMO energy level, induces a coplanar molecular conformation, and enhances polymer aggregation behavior. We evaluated these PT derivatives in inverted non-fullerene bulk-heterojunction (NFA BHJ) OPVs. The PDC8-3T device showed a relatively low PCE of 0.69 %, with a V OC of 0.76 V, a short-circuit current density (J SC ) of 3.32 mA/cm 2 , and a fill factor (FF) of 27.3 %. In contrast, the PDC16-3T-2F device achieved an impressive PCE of 7.21 %, with a V OC of 0.85 V, a J SC of 14.60 mA/cm 2 , and an FF of 58.4 %. This remarkable improvement is attributed to the fluorine substitution, which not only enhances molecular orientation but also downshifts the HOMO energy level and further boosts the V OC . Hence, these molecular design strategies have led to a fibrillar bicontinuous interpenetrating network with optimal nanoscale phase separation within the active layer.

14 SOLAR ENERGY↗

DOE OSTI2024

Multinonmetal-Doped V 2 O 5 Nanocomposites for Lithium-Ion Battery Cathodes

Lithium-ion batteries (LIBs) are critical for portable electronics and electric vehicles, demanding higher energy density to meet increasing energy storage needs. Current commercial cathode materials, such as LiFePO 4 and LiCoO 2 , are limited by a single electron transfer, restricting their energy density. Vanadium pentoxide (V 2 O 5 ) emerges as a promising high-capacity cathode due to its high theoretical capacity of 443 mA h g –1 with three Li storage capacities, significantly surpassing conventional materials. However, the practical application of V 2 O 5 is hindered by a large structural evolution and rapid capacity fading during full lithium intercalation. Here, this study introduces a multinonmetal doping (MNM) strategy to enhance V 2 O 5 cathodes by incorporating all-nonmetal dopants (B, P, and Si) and graphene (G). MNM-V 2 O 5 -G exhibits increased surface oxygen defects, improving charge transfer kinetics and thus enhancing the rate performance and cycling stability. Our results provide valuable insights into the role of surface oxygen defects in stabilizing V 2 O 5 with element doping. This research highlights the potential of multinonmetal doping to improve LIB cathode materials, offering a promising pathway for design of high-energy-density V 2 O 5 cathodes and advancing the development of next-generation energy storage solutions.

25 ENERGY STORAGE↗

DOE OSTI2026

Evaluating Np(v) disproportionation: effect of Np concentration

The role of Np(V) concentration as a potential chemical driver of Np(V) disproportionation was investigated by probing Np redox chemistry in two different acid media using visible-near-infrared absorbance spectroscopy. In situ spectroscopy of chemically and electrochemically manipulated Np oxidation states at molar concentrations of Np underscores the difficulty in stabilizing pure Np(V), even in dilute acid. A Np(VI) component coexisting with the majority Np(V) component was observed in both HNO 3 and HCl. Electrochemical tuning and subsequent spectroscopic analysis of the Np(VI/V) ratio revealed neptunyl self-complexation as a key mechanism occurring in both acid media. Chemical reduction of the Np(VI) component and stabilization of a minor Np(IV) component in HNO 3 were observed; however, spectral data indicated that these two oxidation states were not observed to coexist, and pure Np(V) was stabilized only briefly. These findings demonstrate that high Np concentrations significantly affect the redox chemistry of Np in acidic solutions. Finally, the occurrence of Np(V) disproportionation could not be definitely determined by spectral data, but other mechanisms such as self-complexation and radiolysis, which potentially compete with disproportionation, must be considered.

Gilson, Sara E. [Oak Ridge National Laboratory (OR↗

NASA NTRS1994

Calculation of (12)C(16)O and (13)C(16)O X(1)Sigma(+) rovibrational intensities for v less than or equal to 20 and J less than or equal to 150

Improved electric dipole transition matrix elements for rovibrational transitions in the ground state X(1)Sigma(+) of (12)C(6)O and (13)C(16)O are calculated for all the delta v = +1, +2, and +3 transitions for which v less than or equal to 20 and J less than or equal to 150. We have fitted polynomials to these matrix elements as a function of the parameter m which is defined in terms of the lower state angular momentum quantum number J. These convenient to use polynomial representations are given in Tables 1-4 for (12)C(16)O and in Tables 5-8 for (13)C(16)O. We observe that there is intensity enhancement due to vibration-rotation interaction for the P-branch transitions at the expense of the R-branch transitions for delta v = +1. This enhancement can be as large as 40% at the highest J. For the delta v = +2 and +3 transitions, the R-branch transitions are enhanced by as much as a factor of 2.75 and 10 at the highest J, respectively. The P-branch transitions exhibit only minor decreases. Comparisons with previous calculations show good agreement for the delta v = +1 transitions. The comparison for delta v = +2 and +3 transitions show differences as large as a factor of 5.

Goorvitch, D.↗

NASA NTRS2004

A Spectrum of IV and V Modeling Techniques

The aerospace industry in general and NASA in particular is using more (semi-formal) model-based software development. Model-based development produces a collection of artifacts, for example, state diagrams, module diagrams (such as class diagrams), control-block diagrams, etc. These artifacts may than be used as a basis for auto code generation for production use. Therefore, these models must be properly evaluated in the IV and V process. IV and V practitioners know how assess standard procedural systems. But what can we du about IV and V of model-based systems? The goal of the work outlined in this proposal is to use cost effective automated techniques to the largest extent possible during the IV and V process. Our working hypotheses are: 1. There exists a range of validation techniques that can assess models built using a range of modeling techniques of increasing cost and complexity. Specifically, we hypotesize that the "cheaper" techniques can find faults cheaply and early in a project. These early results are then used to predict if this is a problem system and if a more elaborate and expensive IV and V effort is justified. 2. There exists a set of migration procedures that let us seamlessly move from simple models using cheaper techniques into more elaborate models suitable for a more expensive and detailed analysis. 3. We further hypothesize that this migration process is much cheaper than simply remodeling the system under investigation from scratch when moving to models needed for the more detailed and expensive IV and V assessments.

Heimdahl, Mats↗

NASA NTRS2007

Toward an Objective Enhanced-V Detection Algorithm

The area of coldest cloud tops above thunderstorms sometimes has a distinct V or U shape. This pattern, often referred to as an "enhanced-V' signature, has been observed to occur during and preceding severe weather in previous studies. This study describes an algorithmic approach to objectively detect enhanced-V features with observations from the Geostationary Operational Environmental Satellite and Low Earth Orbit data. The methodology consists of cross correlation statistics of pixels and thresholds of enhanced-V quantitative parameters. The effectiveness of the enhanced-V detection method will be examined using Geostationary Operational Environmental Satellite, MODerate-resolution Imaging Spectroradiometer, and Advanced Very High Resolution Radiometer image data from case studies in the 2003-2006 seasons. The main goal of this study is to develop an objective enhanced-V detection algorithm for future implementation into operations with future sensors, such as GOES-R.

Brunner, Jason↗

NASA NTRS2008

Update on the Ares V to Support Heavy Lift for U.S. Space Exploration Policy

When NASA's Ares V cargo launch vehicle begins flying late next decade, its capabilities will significantly exceed the 1960s-era Saturn V. It will send more crew and cargo to more places on the lunar surface than Apollo and provide ongoing support to a permanent lunar outpost that will open the Moon to greater exploration, science and adventure than ever before. Moreover, it will restore the United States heavy-lift capability, which can support human and robotic exploration for decades to come. Ares V remains in a pre-design analysis cycle stage pending a planned Authority to Proceed (ATP) in late 2010. Ares V benefits from the decision to draw from heritage hardware and its commonality with the Ares I crew launch vehicle, which completed its preliminary design review (PDR) in September 2008. Most of the work on Ares V to date has been focused on refining the vehicle design through a variety of internal studies. This paper will provide background information on the Ares V evolution, emphasizing the vehicle configuration as it exists today.

Sumrall, John P.↗

NASA NTRS2009

Ares I Ares V Overview

This slide presentation is an overview of the Ares I and Ares V projects. It includes a comparison of the launch vehicles from the Saturn V, the Space Shuttle, and the planned Ares I and Ares V. In order to reduce operating cost, the Ares and V will use much of the same hardware. The elements of the Ares I and V. are reviewed and there is a view of the upper stage avionics. The elements of the J-2X engine to be used on both the Ares I and V are viewed.

Sumrall, Phil↗