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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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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multiscale Ecosystem for solving Maxwell-Schrodinger equations of open quantum systems (OpenMS)

Light-matter interactions play an important role in many branches of physics, chemistry, energy, and materials science. In the strong coupling regime, light-matter interactions are able to tune the materials properties via the formation of new quasiparticles, such as plasmons and polaritons. However, theoretical and numerical modeling of the light-matter interaction-mediated processes remain a big challenge because light-matter interactions are fundamentally multiscale and multiphysics problems involving multiple interactions between electrons, nuclei, and photons at different time/length scales. In the current community, light-matter interactions were treated at different levels of theoretical complexity in quantum chemistry and quantum optics. In quantum optics or quantum photonics, the matter is usually simplified as a few-level system, and the light is treated quantum-mechanically. On the other hand, quantum chemistry explores first-principles methods, including both single-particle and many-body-based techniques, to describe the electronic properties of matter in detail. However, light is usually prescribed as a classical electromagnetic field, and the light-matter interaction is taken into account as an external potential via classical approximations. This software is designed to fill current modeling shortcomings by delivering a first-ever scalable multiscale platform for simulating light-matter interactions in realistic electromagnetic environments. The software solves Maxwell and Schrodinger equations self-consistent on the heterogeneous platforms. It implements HF/DFT, TDDFT, and coupled-cluster counterparts for light-matter interactions and adopts modular programming to offload massively parallel algorithms on a large number of CPU/GPUs.

Zhang, Yu↗
DOE OSTI2020

FLC Notable Technology Award Oleo-Furan Surfactant

It’s a well-kept secret that laundry detergents are harmful to the environment. The important chemical in laundry detergent, called a surfactant. Surfactants are the workhorses of laundry detergent and soaps, and they're attracted to things like grease on your hands and dirt in your clothes to wash them away. Surfactants are used in everything from shampoo, hand soap, laundry detergent, and cosmetics. Many current surfactants are made from petroleum feedstock. These petroleum-derived building blocks come with a big carbon footprint. As the need for greener feedstock alternatives for synthesizing surfactants became obvious, manufacturers turned to natural oils, such as palm kernel and coconut oil. However, these oils are costly, particularly in areas where they are not domestically produced, and using them for surfactant synthesis competes with the food supply chain. Surfactants deactivate and do not work in hard water. Hard water is common - 85% of the U.S. water supply is considered hard because of the presence of small metal ions. These metal ions cover the surfactants making them useless. To solve this problem, many manufacturers add chemicals called chelators to bind the metal ions and make the water less hard, enhancing the effectiveness of the laundry detergent. However, this solution leads to more problems, including increased cost of detergent production and a large output of environmentally harmful chemicals. There remains a strong need for effective laundry detergents that do not negatively impact the environment and are available to consumers at an affordable cost. The American Cleaning Institute (ACI), a surfactant manufacturer organizing body, is emphasizing commitment to developing bio-renewable alternatives to current surfactants in laundry detergents. That’s why chemists at SIRONIX Renewables partnered with Los Alamos National Laboratory to further develop Oleo-furan surfactants (OFS). OFS are a new class of non-toxic, non-irritating surfactants for laundry detergent. It is the only surfactant that performs effectively in cold and hard water without chelators to bind the metal ions in hard water. OFS can be produced readily from sustainable, bio-derived molecules. They are multi-functional molecules - performing the role of a surfactant and a chelator in one - and are completely bio-degradable. OFS does not rely on petroleum feedstock and is synthesized from non-food, bio-renewable cellulosic feedstock. OFS solves each of the pertinent problems facing detergents and our environment today.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Rapid Preliminary Design of Interplanetary Trajectories Using the Evolutionary Mission Trajectory Generator

Preliminary design of interplanetary missions is a highly complex process. The mission designer must choose discrete parameters such as the number of flybys, the bodies at which those flybys are performed, and in some cases the final destination. In addition, a time-history of control variables must be chosen that defines the trajectory. There are often many thousands, if not millions, of possible trajectories to be evaluated. This can be a very expensive process in terms of the number of human analyst hours required. An automated approach is therefore very desirable. This work presents such an approach by posing the mission design problem as a hybrid optimal control problem. The method is demonstrated on notional high-thrust chemical and low-thrust electric propulsion missions. In the low-thrust case, the hybrid optimal control problem is augmented to include systems design optimization.

Design↗
DOE OSTI2021

Real-Frequency Response Functions at Finite Temperature

Building on previous developments [A. Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlanc, Phys. Rev. B 99, 035120 (2019); A. Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlancPhys. Rev. B101, 125109 (2020); A. Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlancPhys. Rev. B102, 045115 (2020), B. Holm and U. von Barth, Phys. Rev. B 57, 2108 (1998), J. Vičičevic and M. Ferrero, Phys. Rev. B 101, 075113 (2020)], we show that the diagrammatic Monte Carlo technique allows us to compute finite-temperature response functions directly on the real-frequency axis within any field-theoretical formulation of the interacting fermion problem. There are no limitations on the type and nature of the system’s action or whether partial summation and self-consistent treatment of certain diagram classes are used. In particular, by eliminating the need for numerical analytic continuation from a Matsubara representation, our scheme allows us to study spectral densities of arbitrary complexity with controlled accuracy in models with frequency-dependent effective interactions. Finally, for illustrative purposes we consider the problem of the plasmon linewidth in a homogeneous electron gas (jellium).

3-dimensional systems↗
NASA NTRS1985

Strength Modeling Report

Strength modeling is a complex and multi-dimensional issue. There are numerous parameters to the problem of characterizing human strength, most notably: (1) position and orientation of body joints; (2) isometric versus dynamic strength; (3) effector force versus joint torque; (4) instantaneous versus steady force; (5) active force versus reactive force; (6) presence or absence of gravity; (7) body somatotype and composition; (8) body (segment) masses; (9) muscle group envolvement; (10) muscle size; (11) fatigue; and (12) practice (training) or familiarity. In surveying the available literature on strength measurement and modeling an attempt was made to examine as many of these parameters as possible. The conclusions reached at this point toward the feasibility of implementing computationally reasonable human strength models. The assessment of accuracy of any model against a specific individual, however, will probably not be possible on any realistic scale. Taken statistically, strength modeling may be an effective tool for general questions of task feasibility and strength requirements.

Badler, N. I.↗
NASA NTRS1972

Boundary layer stability on a yawed spinning body of revolution and its effect on the magnus force and moment

The parameters are established which are important to the stability of a boundary layer flow over a yawed spinning cylinder in a uniform stream. It is shown that transition occurs asymmetrically in general and this asymmetry can be important for the prediction of aerodynamic forces and moments (e.g., the Magnus effect). Instability of the steady-state boundary layer flow is determined using small disturbance theory. Although the approach is strictly valid only for the calculation of the conditions for stability in the small, experimental data indicate that in many problems, it provides a good estimate for the transition to turbulence.

Jacobson, I. D.↗
NASA NTRS1993

A nonlinear control design for energy sink simulation in the Euler-Poinsot problem

A nonlinear control design is presented for the purpose of quantitatively simulating the effects of internal damping mechanisms modeled as energy sinks on the attitude dynamics of rigid body spacecraft. Damping is important because it is often the driving mechanism behind passive attitude acquisition maneuvers. Introduction of the controller into the Euler attitude equations of motion allows for the explicit representation of damping without the introduction of additional degrees of freedom required for a physical damping mechanism. This result is significant because perturbation techniques which rely on the closed form solution of the unperturbed problem can then be used to analyze the effects of perturbations upon a damped system. The controller is designed to dissipate kinetic energy while maintaining the magnitude of the angular momentum vector. Control torques are nonlinear functions of the angular momentum components expressed in a body-fixed frame. A numerical simulation of an actual damping mechanism during a decay from minor axis spin into a flat spin is presented showing that the nonlinear controller gives a good qualitative representation and, in many instances, a good quantitative approximation of the attitude motion of a representative spacecraft containing a damping mechanism.

Kammer, Daniel C.↗
NASA NTRS2004

Applications of Response Surface-Based Methods to Noise Analysis in the Conceptual Design of Revolutionary Aircraft

Due to the growing problem of noise in today's air transportation system, there have arisen needs to incorporate noise considerations in the conceptual design of revolutionary aircraft. Through the use of response surfaces, complex noise models may be converted into polynomial equations for rapid and simplified evaluation. This conversion allows many of the commonly used response surface-based trade space exploration methods to be applied to noise analysis. This methodology is demonstrated using a noise model of a notional 300 passenger Blended-Wing-Body (BWB) transport. Response surfaces are created relating source noise levels of the BWB vehicle to its corresponding FAR-36 certification noise levels and the resulting trade space is explored. Methods demonstrated include: single point analysis, parametric study, an optimization technique for inverse analysis, sensitivity studies, and probabilistic analysis. Extended applications of response surface-based methods in noise analysis are also discussed.

Hill, Geoffrey A.↗
NASA NTRS2011

Comparison Between MAD-IPA Thrust Stand Measurements and Performance Modeling

The high specific impulse values associated with electric propulsion (EP) that allow for higher payload fractions than conventional, chemical propulsion are achieved by the acceleration of ionized propellant (plasma) by electromagnetic body forces. The lifetime of many EP devices is limited by electrode erosion caused by direct plasma-electrode interaction, while the efficiency is often limited by, among other thruster-specific factors, the available power in space. The efficiency can be increased during higher power operation since the amount of power required to ionize the propellant is fixed and decreases as a percentage of the increased input power. Pulsed inductive plasma accelerators [1-3] are a potentially elegant solution to the problems of high power demands and electrode erosion. The former is addressed in the pulsed nature of these devices, which allows for instantaneous operation on the order of megawatts while requiring a continuous supply on the order of only kilowatts, while the latter is addressed by inductive coupling of the thruster to ionized propellant. These devices operate by rapidly (on the order of microseconds) discharging stored energy at a given pulse repetition rate through a coil creating time-varying magnetic and electric fields that cause ionization, current formation and acceleration of propellant away from the coil. While the inductive (contact-less) nature of the energy transfer from the thruster to the propellant alleviates the problem of erosion and enables the use of in-situ and storable propellants incompatible with metallic electrodes, it places high voltage demands (on the order of tens of kilovolts) on the energy storage system to achieve propellant ionization.

Hallock, Ashley K.↗
NASA NTRS1991

The climbing crawling robot (a unique cable robot for space and Earth)

Some of the greatest concerns in robotic designs have been the high center of gravity of the robot, the irregular or flat surface that the robot has to work on, the weight of the robot that has to handle heavy weights or use heavy forces, and the ability of the robot to climb straight up in the air. This climbing crawling robot handles these problems well with magnets, suction cups, or actuators. The cables give body to the robot and it performs very similar to a caterpillar. The computer program is simple and inexpensive as is the robot. One of the important features of this system is that the robot can work in pairs or triplets to handle jobs that would be extremely difficult for single robots. The light weight of the robot allows it to handle quite heavy weights. The number of feet give the robot many roots where a simple set of feet would give it trouble.

Kerley, James J.↗
NASA NTRS2017

The Early Planetary Research of Tobias C. Owen

Tobias Chant Owen (Toby) was a graduate student of G. P. Kuiper, receiving his Ph.D. in the Dept. of Astronomy, University of Arizona, in 1965. His thesis was broadly titled "Studies of Planetary Spectra in the Photographic Infrared", and primarily presented a study of the composition and other properties of Jupiter, as well as the abundance and surface pressure of CO2 on Mars. The surface pressure on Mars was a topic of debate at that time, with a wide range of diverse observational results from several investigators. The Jupiter work in particular consisted of the analysis of Kuiper's unpublished spectra that were made with photographic plates pushed to the longest wavelength possible, about 1120 nm, with ammonia-hypersensitized Kodak Z emulsions. Toby used the long-pathlength absorption cells at the Lunar and Planetary Lab to study the spectra of CH4 and NH3 at pressures and temperatures relevant to Jupiter (and Saturn), as well as to search for spectral signatures of potential minor components of their atmospheres. Toby also obtained new spectra of Io, Ganymede, and Saturn and its rings, extended to the long-wavelength limit of photographic emulsions. No new molecular absorptions were found, although Owen basically confirmed Kuiper's earlier result that Saturn's rings are covered (or composed of) with H2O ice or frost. As he pursued a broad range of problems of planetary atmospheres, Toby used existing and newly acquired spectra of the planets in the photographic and near-infrared wavelength regions, together with data he obtained in the laboratory with long-pathlength absorption cells, to resolve some outstanding issues of unidentified spectral features and to clarify issues of the compositions, temperatures, and atmospheric pressures of several bodies. This work laid the foundation for his later decades of studies of planetary atmospheres and comets with spacecraft as an active participant in many US and European missions. He was very influential in shaping the science goals of several missions, and in the interpretation of the results.

Mars↗
DOE OSTI2022

Interaction-expansion inchworm Monte Carlo solver for lattice and impurity models

Multiorbital quantum impurity models with general interaction and hybridization terms appear in a wide range of applications, including embedding, quantum transport, and nanoscience. However, most quantum impurity solvers are restricted to a few impurity orbitals, discretized baths, diagonal hybridizations, or density-density interactions. We generalize the inchworm quantum Monte Carlo method to the interaction expansion, and we explore its application to typical single- and multiorbital problems encountered in investigations of impurity and lattice models. Our implementation generically outperforms bare and bold-line quantum Monte Carlo algorithms in the interaction expansion. For the systems studied here, our implementation remains inferior to the more specialized hybridization expansion and auxiliary field algorithms. So, the problem of convergence to unphysical fixed points, which hampers so-called bold-line methods, is not encountered in inchworm Monte Carlo.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Programmable interactions and emergent geometry in an array of atom clouds

Interactions govern the flow of information and the formation of correlations between constituents of many-body quantum systems, dictating phases of matter found in nature and forms of entanglement generated in the laboratory. Typical interactions decay with distance and thus produce a network of connectivity governed by geometry—such as the crystalline structure of a material or the trapping sites of atoms in a quantum simulator. However, many envisioned applications in quantum simulation and computation require more complex coupling graphs including non-local interactions, which feature in models of information scrambling in black hole, and mappings of hard optimization problems onto frustrated classical magnets. Here we describe the realization of programmable non-local interactions in an array of atomic ensembles within an optical cavity, in which photons carry information between atomic spins. By programming the distance dependence of the interactions, we access effective geometries for which the dimensionality, topology and metric are entirely distinct from the physical geometry of the array. As examples, we engineer an antiferromagnetic triangular ladder, a Möbius strip with sign-changing interactions and a treelike geometry inspired by concepts of quantum gravity. The tree graph constitutes a toy model of holographic duality, in which the quantum system lies on the boundary of a higher-dimensional geometry that emerges from measured correlations. Overall, our work provides broader prospects for simulating frustrated magnets and topological phases, investigating quantum optimization paradigms and engineering entangled resource states for sensing and computation.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1987

Potential flow around two-dimensional airfoils using a singular integral method

The problem of potential flow around two-dimensional airfoils is solved by using a new singular integral method. The potential flow equations for incompressible potential flow are written in a singular integral equation. The equation is solved at N collocation points on the airfoil surface. A unique feature of this method is that the airfoil geometry is specified as an independent variable in the exact integral equation. Compared to other numerical methods, the present calculation procedure is much simpler and gives remarkable accuracy for many body shapes. An advantage of the present method is that it allows the inverse design calculation and the results are extremely accurate.

Nguyen, Yves↗
NASA NTRS1988

Application of multiple grids topology to supersonic internal/external flow interactions

For many aerodynamic applications, it is very difficult to construct a smooth body-fitted grid around complex configurations. An approach, called 'multiple grids' or 'zonal grids', which subdivides the entire physical domain into several subdomains, is used to overcome such difficulties. The approach is applied to obtain the solutions to the Euler equations for the supersonic internal/external flow around a fighter-aircraft configuration. Steady-state solutions are presented for Mach 2 at 0, 3.79, 7, and 10 deg angles-of-attack. The problem of conservative treatment at the zonal interfaces is also addressed.

Kathong, M.↗
NASA NTRS1974

Medical legacy of Apollo

Since Apollo crews enjoyed freedom of movement and experienced many of the same problems as earlier crews, confinement had to be ruled out in the etiology of space flight-related changes. Apollo was a mission of physiological firsts: the first inflight illnesses were reported, and a series of cardiac arrhythmias occurred. The most important physiological changes were decreased cardiovascular responsiveness, reduced red blood cell mass, and musculoskeletal deterioration. Vestibular-related problems were also noted for the first time. Crewmen lost weight as a result of a hypocaloric regimen inflight and a tendency to lose body tissue under hypogravic conditions. Aldosterone production increased causing some intracellular fluid loss. Very few of the crewmen experienced any psychological problems after Apollo.

Berry, C. A.↗
DOE OSTI2022

On the closedness and geometry of tensor network state sets

Tensor network states (TNS) are a powerful approach for the study of strongly correlated quantum matter. The curse of dimensionality is addressed by parametrizing the many-body state in terms of a network of partially contracted tensors. These tensors form a substantially reduced set of effective degrees of freedom. In practical algorithms, functionals like energy expectation values or overlaps are optimized over certain sets of TNS. Concerning algorithmic stability, it is important whether the considered sets are closed because, otherwise, the algorithms may approach a boundary point that is outside the TNS set and tensor elements diverge. Here we discuss the closedness and geometries of TNS sets, and we propose regularizations for optimization problems on non-closed TNS sets. We show that sets of matrix product states (MPS) with open boundary conditions, tree tensor network states, and the multiscale entanglement renormalization ansatz are always closed, whereas sets of translation-invariant MPS with periodic boundary conditions (PBC), heterogeneous MPS with PBC, and projected entangled pair states are generally not closed. The latter is done using explicit examples like the W state, states that we call two-domain states, and fine-grained versions thereof.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Permutation matrix representation quantum Monte Carlo

We present a quantum Monte Carlo algorithm for the simulation of general quantum and classical many-body models within a single unifying framework. The algorithm builds on a power series expansion of the quantum partition function in its off-diagonal terms and is both parameter-free and Trotter error-free. In our approach, the quantum dimension consists of products of elements of a permutation group. As such, it allows for the study of a very wide variety of models on an equal footing. To demonstrate the utility of our technique, we use it to clarify the emergence of the sign problem in the simulations of non-stoquastic physical models. We showcase the flexibility of our algorithm and the advantages it offers over existing state-of-the-art by simulating transverse- field Ising model Hamiltonians and comparing the performance of our technique against that of the stochastic series expansion algorithm. Furthermore, we also study a transverse-field Ising model augmented with randomly chosen two-body transverse-field interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗