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NASA NTRS2008

Seven Key Principles of Program and Project Success: A Best Practices Survey

The National Aeronautics and Space Administration (NASA) Organization Design Team (ODT), consisting of 20 seasoned program and project managers and systems engineers from a broad spectrum of the aerospace industry, academia, and government, was formed to support the Next Generation Launch Technology (NGLT) Program and the Constellation Systems Program. The purpose of the ODT was to investigate organizational factors that can lead to success or failure of complex government programs, and to identify tools and methods for the design, modeling, and analysis of new and more-efficient program and project organizations. The ODT conducted a series of workshops featuring invited lectures from seasoned program and project managers representing 25 significant technical programs spanning 50 years of experience. The result was the identification of seven key principles of program success that can be used to help design and operate future program organizations. This paper presents the success principles and examples of best practices that can significantly improve the design of program, project, and performing technical line organizations, the assessment of workforce needs and organization performance, and the execution of programs and projects.

Bilardo, Vincent J.↗

NASA NTRS2016

First-Principles Definition and Measurement of Planetary Electromagnetic-Energy Budget

The imperative to quantify the Earths electromagnetic-energy budget with an extremely high accuracy has been widely recognized but has never been formulated in the framework of fundamental physics. In this paper we give a first-principles definition of the planetary electromagnetic-energy budget using the Poynting- vector formalism and discuss how it can, in principle, be measured. Our derivation is based on an absolute minimum of theoretical assumptions, is free of outdated notions of phenomenological radiometry, and naturally leads to the conceptual formulation of an instrument called the double hemispherical cavity radiometer (DHCR). The practical measurement of the planetary energy budget would require flying a constellation of several dozen planet-orbiting satellites hosting identical well-calibrated DHCRs.

phenomenology↗

NASA NTRS2016

First-Principles Modeling Of Electromagnetic Scattering By Discrete and Discretely Heterogeneous Random Media

A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell's equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell- Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell-Lorentz equations, we trace the development of the first principles formalism enabling accurate calculations of monochromatic and quasi-monochromatic scattering by static and randomly varying multiparticle groups. We illustrate how this general framework can be coupled with state-of-the-art computer solvers of the Maxwell equations and applied to direct modeling of electromagnetic scattering by representative random multi-particle groups with arbitrary packing densities. This first-principles modeling yields general physical insights unavailable with phenomenological approaches. We discuss how the first-order-scattering approximation, the radiative transfer theory, and the theory of weak localization of electromagnetic waves can be derived as immediate corollaries of the Maxwell equations for very specific and well-defined kinds of particulate medium. These recent developments confirm the mesoscopic origin of the radiative transfer, weak localization, and effective-medium regimes and help evaluate the numerical accuracy of widely used approximate modeling methodologies.

Michael I Mishchenko↗

NASA NTRS2016

Hall2De Simulations with a First-Principles Electron Transport Model Based on the Electron Cyclotron Drift Instability

Several years of work have combined plasma measurements in a laboratory Hall thruster and r-z numerical simulations with Hall2De to isolate the spatial variation of the anomalous collision frequency needed in Ohm’s law to produce the observed thruster behavior. This numerical solution is used here to test the validity of a first-principles model of the anomalous transport in these devices before such model is implemented self-consistently in r-z fluid codes like Hall2De. The first-principles model employs quasi-linear theory and is based on the hypothesis that the Electron Cyclotron Drift Instability (ECDI) excites ion acoustic turbulence that, in turn, enhances the effective collision frequency in these devices. We find that a model of the ECDI that assumes Maxwellian velocity distributions for electrons and singly-charged, main-beam, cold ions (Ti=0.07 eV) is insufficient to explain the expected variation of the anomalous collision frequency both in the interior and exterior of the acceleration channel. When warm ions (~0.5-3 eV) are accounted for, the ECDI model in the channel interior appears more promising but fails by orders of magnitude in the near plume region due to the much higher Landau damping of the ion acoustic waves there. This implies that either (a) some process allows the ECDI instability to remain uninhibited by classical Landau damping or, (b) that a different instability (or instabilities) altogether, also insusceptible to Landau damping, is/are active in this region. A previous hypothesis, that convection of wave energy generated by the ECDI in the channel plays a significant role in the near plume, is not supported by the results of the simulations.

Mikellides, Ioannis G.↗

NASA NTRS2018

Applying Research-Based Training Principles: Towards Crew-Centered, Mission-Oriented Space Flight Training

This chapter describes a training approach that applies empirically derived principles of training to re-imagining the overall design of NASA’s space flight training program. The chapter is focused specifically on the design of astronaut training for NASA’s future deep space, exploration missions to Mars. We briefly describe NASA’s space flight training practices during the Apollo and Space Shuttle eras as well as NASA’s current practices for training astronauts for their missions to the International Space Station. We provide an overview of NASA’s current concepts for a mission to Mars to scope our training approach. We envision a new space flight training approach which we term “crew-centered, mission oriented” training, inspired by the design approach offered in the context of airline pilot training by Barshi (2015). We apply some of the training principles reviewed by Kole and his colleagues in the companion volume (Kole, Healy, Schneider & Barshi, 2019), as well as by other researchers in training science (e.g., Ericsson, Krampe, & Tesch-Römer, 1993; Healy & Bourne, 2012; Salas, Wilson, Priest and Guthrie, 2006), into real-world, practical guidelines for the particular context of training astronauts for a mission to Mars.processes over very long retention intervals.

Training↗

NASA NTRS2015

The PDS4 Information Model Design Principles - How Well Did They Work?

The Planetary Data System (PDS) recently released Version 1.5 of the PDS4 Information Model, the primary component of the PDS4 Information Architecture. The Information Model is now stable and is in use by three active missions and several missions in various phases of development. The Information Model drives the PDS4 Information System using a multi-level governance structure that provides for common, discipline, and mission level management of the system’s information standards. For the development of the PDS4 Information Model several design principles were adopted. This paper will describe each design principle and then explain how well they worked, problems encountered during development and their solutions, and how well the results meet the requirements of the multi-discipline planetary science community.

Martin, Michael↗

NASA NTRS2018

Design Principles for Smallsat SARs

Synthetic Aperture Radar (SAR) is by now a mature remote sensing technique to obtain spatially-resolved radar measurements of terrain. Currently, SAR image data are readily available from an ever-expanding multitude of SAR satellites in Earth orbit. Many spaceborne SAR systems currently in use or planned for the near-term are multifunctional: their designs tend to maximize the menu of image modes available to the end user. They also follow fairly conventional design principles, laid down decades ago, that lead almost inevitably to large antennas and even larger spacecraft. This raises the question: how does one go about designing a SAR system that fits in a Smallsat (<200 kg) form factor? The design principles for Smallsat SARs outlined in this paper have been developed over a twenty-year period in architecting Earth-orbiting SARs such as NASA/JPL’s NISAR and ESA’s Biomass mission, as well as planetary SAR mission concepts. Example mission concepts following this approach will be presented at the end of the paper. These include an S-Band Smallsat geodetic constellation to measure surface deformation, as called for by the 2018 National Academy Decadal Survey for Earth Observation from Space. Another example is a Ka-band cubesat-sized system designed to detect changes on Earth’s surface.

Freeman, Anthony↗

NASA NTRSDate not supplied

Spacecraft Passivation – An Overview of Requirements, Principles, and Practices

Explosions, collisions, and other catastrophic breakups of launch vehicle orbital stages and satellites continue to be major contributors to the generation of orbital debris. Both launch vehicles and payload satellites typically have several types of stored energy sources on board, any of which might result in energetic breakups and the creation of debris after their mission has ended. These energy sources include propulsion systems, pressure vessels, reaction wheels, control moment gyros, heat pipes, and power systems. NASA, ESA, JAXA and other space-faring organizations have requirements in place to limit the growth of the orbital debris population by passivating space vehicles that remain in orbit after their missions have ended. In this paper, we review current spacecraft passivation philosophies and principles, as well as how those principles have been applied in practice. In particular, we focus on how NASA programs have addressed spacecraft passivation. We begin by considering and reviewing general passivation requirements, with specific emphasis on pressure vessel passivation. We discuss passivation approaches used in several recent NASA missions as well as some practical considerations in spacecraft passivation, and conclude by providing some summary guidelines regarding what may be considered acceptable (reduced) pressure level targets (depending on the tank commodity and the type of propulsion system) that could allow the pressure vessel to be considered in a passivated state.

Scott Hull↗

NASA NTRSDate not supplied

Towards Accurate and Efficient Predictions of Martensitic Transition Temperatures for Shape Memory Alloys from First Principles

Recent rapid progresses in physics theory and computational power have made it possible to predict the martensitic transition temperatures (MTTs) in shape memory alloys (SMAs) from first principles [1-3]. In particular, rigorous while time-consuming thermodynamic integration has been employed to compute the anharmonic phonon free energies, which play a crucial role in determining martensitic phase transitions in SMAs. However, this approach has only been applied to simple binaries, and its accuracy is unsatisfying for certain SMAs such as the most commonly used NiTi. In this work, we report on several new developments to our method that bring first-principles theory and experiment much closer into agreement including the MTT of NiTi, and that improve the computational efficiency significantly. We have applied our refined approach to investigate the Ni0.5Ti0.5-xHfx and PdxNi0.5-xTi0.5 ternaries, and the predicted MTT for each composition is within 100K compared with experiment. We will address various techniques to overcome the difficulty encountered in studying ternaries. Our theoretical approach is expected to be a broadly applicable and predictive theory for designing complex SMAs with desirable properties. [1] J.B. Haskins, A.E. Thompson,and J.W. Lawson, Phys. Rev B 94, 214110 (2016). [2] J.B. HaskinsandJ.W. Lawson, J. App. Phys. 121, 205103 (2017). [3] J.B. Haskins, H. Malmir, S. J. Honrao, L. A. Sandoval, and J.W. Lawson, Acta Materialia 212, 116872 (2017).

Zhigang Wu↗

NASA NTRSDate not supplied

Towards Accurate and Efficient Predictions of Martensitic Transition Temperatures for Shape Memory Alloys from First Principles

Zhigang Wu↗

NASA NTRSDate not supplied

Human Autonomy Teaming: Principles and Applications

This talk describes the need for human autonomy teaming (HAT), the basic principles of HAT and the application of those principles in various domains.

multi-vehicle control↗

NASA NTRS2022

Spacecraft Passivation - An Overview of Requirements, Principles, and Practices as Applied to Spacecraft Pressure Vessels

Explosions, collisions, and other catastrophic breakups of launch vehicle orbital stages and satellites continue to be major contributors to the generation of orbital debris. Both launch vehicles and payload satellites typically have several types of stored energy sources on board, any of which might result in energetic breakups and the creation of debris after their mission has ended. These energy sources include propulsion systems, pressure vessels, reaction wheels, control moment gyros, heat pipes, and power systems. NASA, ESA, JAXA and other space-faring organizations have requirements in place to limit the growth of the orbital debris population by passivating space vehicles that remain in orbit after their missions have ended. In this paper, we review current spacecraft passivation philosophies and principles, as well as how those principles have been applied in practice. In particular, we focus on how NASA programs have addressed spacecraft passivation. We begin by considering and reviewing general passivation requirements, with specific emphasis on pressure vessel passivation. We then discuss passivation approaches used in several recent NASA missions as well as some practical considerations in spacecraft passivation, and conclude by providing some summary guidelines regarding what may be considered acceptable (reduced) pressure level targets (depending on the tank commodity and the type of propulsion system) that could allow the pressure vessel to be considered in a passivated state.

Scott Hull↗

NASA NTRSDate not supplied

Overview of Past Space Nuclear Reactor Functional Safety Principles in the Context of Recent Policy Changes

Space nuclear reactor technology development and associated approaches to safety have been ongoing for over 60 years. This paper selects functional safety principles associated with space reactors at several points in time since the early 1980s and provides an overview of their general content, similarities, and differences, as well as how they have evolved. It also reflects, where applicable, on how recent Federal policies in the area of space nuclear systems may affect how these safety principles apply to future activities.

Crew Safety↗

NASA NTRS2023

First Principles Modeling of the Thermal Amine Scrubber Flight Experiment’s Chemical Performance

The removal of atmospheric CO2 from a spacecraft is of particular importance to NASA’s mission, and is an area of continual study and technological advancement. One of the more recent advancements has been with reusable sorbents being regenerated with a combination of heat and vacuum. One such technology is the Thermal Amine Scrubber (TAS) flight experiment on the ISS, though several others are currently flying or preparing to fly. A model was created of the TAS to predict chemical performance, using fundamental chemistry and physics based on principles rather than empirical relations. Since the physical laws are true across all conditions, such a model enables greater model accuracy outside the bounds of test data, and allows for virtual testing of the hardware at conditions that are prohibitively difficult or expensive to actually test. This paper details the model’s development, operation, and correlation to data from the flight unit. The model is then compared to a data set taken from the flight unit under different flow, CO2 partial pressure, and bed configuration conditions, resulting in only a 2% error. The equations and principles laid forth in this paper are applicable to a wide range of thermally regenerated sorbents, and additional models of a similar nature would allow for potentially the most straightforward and direct method of comparison of technologies available to date.

CO2 removal↗

NASA NTRS2024

Martensitic Phase Transition in Complex NiTi-Based Shape Memory Alloys from First-Principles Calculations

Recent rapid progresses in physics theory and computational power have made it possible to accurately predict the phase transitions and martensitic transition temperatures (MTTs) in shape memory alloys (SMAs) from first principles. However, previously theory and calculations [1-4] were applied only to study highly ordered stoichiometric binary alloys such as NiTi, PdTi and NiHf. Here we report on our recent first-principles investigations [5,6] on Ni 0.5 Ti 0.5-x Hf x and Pd x Ni 0.5-x Ti 0.5 ternaries and off-stoichiometric NiTi, and the predicted martensitic phase transitions in these complex SMAs are in good agreement with experimental findings. In particular, the calculated MTTs for all these compositions are within 100 K compared with the corresponding measured data, and our results also reveal the origin of the striking asymmetry in MTT of the off-stoichiometric NiTi near equiatomic compositions. We will address various techniques to overcome the difficulty encountered in studying ternaries and off-stoichiometic binaries associated with disorder and/or much lowered symmetry. Our theoretical approach is expected to be a broadly applicable and predictive theory for designing complex SMAs with desirable properties. References: [1] J. B. Haskins, A. E. Thompson, and J. W. Lawson, Phys. Rev B 94 , 214110 (2016). [2] J. B. Haskins and J. W. Lawson, J. App. Phys. 121 , 205103 (2017). [3] J. B. Haskins, H. Malmir, S. J. Honrao, L. A. Sandoval, and J. W. Lawson, Acta Materialia 212 , 116872 (2017). [4] Z. Wu, J. W. Lawson, and O. Benafan, Phys. Rev. B 106 , L140102 (2022). [5] Z. Wu, H. Malmir, O. Benafan, and J. W. Lawson, Acta Materialia 261 , 119362 (2023). [6] Z. Wu, J. W. Lawson, and O. Benafan, Phys. Rev. B 108 , L140103 (2023).

Zhigang Wu↗

NASA NTRS2023

Comparative Accuracies of Models for Drag Prediction During Geomagnetically Disturbed Periods: A First Principles Model Versus Empirical Models

We examine the accuracy of density prediction by the first principles model Thermosphere Ionosphere Electrodynamics General Circulation Model (TIEGCM) developed by the National Center for Atmospheric Research and compare it to the accuracy of three empirical models: Jacchia 71, the Naval Research Laboratory Mass Spectrometer Incoherent Scatter Extended 2000 (NRLMSIS), Jacchia 1971, and Jacchia-Bowman 2008. Comparisons are made for three large storms: the October 2003 storm, the March 2013 storm, and the March 2015 storm. To evaluate the accuracy of these models we use tracking data for nine space objects in low Earth orbit. Additionally, we evaluate the accuracy of the TIEGCM and NRLMSIS with data from high precision accelerometers on the Challenging Minisatellite Payload (CHAMP) and Gravity field and Circulation Explorer (GOCE) satellites. The goal is to assess the use of a first principles model as a potential tool for forecasting satellite drag during large magnetic storms. For the storms considered, we found the TIEGCM, JB2008, and NRLMSIS models to be substantially more accurate than the Jacchia 71 model. The accuracies of the TIEGCM and JB2008 models were similar, but overall, the TIEGCM was more accurate. We found smaller differences for TIEGCM versus CHAMP than for NRLMIS for the Halloween Storm, and smaller differences than results published for JB2008 and the assimilative model HASDM. The empirical models are at present more practical for operational purposes, but the TIEGCM, developed as a research model, with a greater focus on operational use offers the potential for improved utility during stressing conditions.

R. L. Walterscheid↗

DOE OSTI2025

Bayesian prior construction for uncertainty quantification in first-principles statistical mechanics

First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or molecular dynamics simulations. Inexpensive surrogates such as cluster expansions enable otherwise intractable calculations by interpolating data from higher accuracy methods, such as Density Functional Theory (DFT). Surrogate models introduce uncertainty into downstream calculations, in addition to any uncertainty inherent to DFT calculations. Bayesian frameworks address this by quantifying uncertainty and incorporating expert knowledge through priors. However, constructing effective priors remains challenging. This work introduces and describes practical strategies for building Bayesian cluster expansions, focusing on basis truncation, hyperparameter selection, and ground state replication. We analyze multiple basis truncation schemes, compare cross-validation to the evidence-approximation for hyperparameter optimization, and provide methods to find and enforce ground-state-preserving models through priors. Additionally, we compare the uncertainties between different approximations to DFT (LDA, PBE, SCAN) against the uncertainty introduced with the use of cluster expansion surrogate models. These approaches are demonstrated on the BCC Li x Mg 1-x and Li x Al 1-x alloys, which are both of interest for solid-state Li batteries. Our results provide guidelines for constructing and utilizing Bayesian cluster expansions, thereby improving the transparency of materials modeling. Furthermore, the approaches and insights developed in this work can be transferred to a wide range of cluster expansion surrogate models, including the atomic cluster expansion and related machine-learned interatomic potential architectures.

Alloy theory↗

DOE OSTI2025

Diffusion of alloying and fission atoms in α-U investigated by first-principles calculation

Stability and diffusion of small defect clusters containing alloying or fission atoms (“F” is used to represent both atoms) in an α-uranium (U) crystal are investigated using first-principles calculations. Here, results indicate that different stable defect structures are observed for an interstitial defect and a cluster (F n V m ) containing different alloying or fission atoms and vacancies. An interstitial defect is found to be most stable either at the center of a pyramid pentahedron or in a 〈010〉 mixed dumbbell configuration and the latter one is reported for the first time. Formation energy of a small F n V m cluster depends on the distribution of vacancies. Based on these stable defects, new migration energies and paths have been explored in this work. Anisotropic migration of an interstitial defect by jumping between nearest centers of two pyramid pentahedrons or jumping between two mixed U-Zr dumbbells has been suggested. Furthermore, a new migration-rotation mechanism has been explored for the first time for a FV 2 cluster, resulting in a 3D diffusion. Finally, the effect of substitutional Pu atoms on the migration of a FV 2 cluster suggests that optimizing the Pu concentration may prohibit the diffusion of some alloying or fission atoms, increasing the safe performance of metallic fuels.

3D diffusion↗