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At least 487 records · Page 27

All sources NASA NTRS DOE OSTI

NASA NTRS1990

Laboratory measurements and modeling of microwave absorption by ammonia in gas mixtures applicable to giant planet atmospheres

Accurate knowledge of the microwave absorption behavior of ammonia is critical to the correct interpretation of radio astronomical and radio occultation data from the giant planets. New cavity resonator techniques developed at the Stanford Center for Radar Astronomy have allowed accurate laboratory measurements of the microwave absorptivity and refractivity spectra of gas mixtures containing trace amounts of ammonia. A parameterized version of the modified Ben-Reuven formalism of Berge and Bulkis was optimized to fit the new data. The new formalism produced by this method predicts ammonia absorptivity much more accurately than previous formalism over a significant range of conditions.

Spilker, T. R.↗

DOE OSTI2018

On the Question of the Total Energy in the Fermi–Löwdin Orbital Self-Interaction Correction Method

The Fermi-Löwdin orbital self-interaction correction (FLOSIC) formalism is a novel method for implementing the Perdew-Zunger self-interaction correction (PZ-SIC) in density functional theory calculations. In this paper we consider how the use of Fermi orbitals affects total energies and other calculated properties compared to a standard approach to PZ-SIC that utilizes the localization equation conditions. Here, we directly compare the results of the two methods using identical basis sets and numerical techniques in calculations for isolated atoms up to Kr and for a large test set of molecules. We find differences in total energies that increase with increasing atomic number and show that these differences can be traced to a less negative SIC correction for the 1s orbital in FLOSIC. Importantly, energies for highest occupied orbitals and molecular atomization energies are nearly identical in the two methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

Report of the Task Group 186 on model-based dose calculation methods in brachytherapy beyond the TG-43 formalism: Current status and recommendations for clinical implementation

The charge of Task Group 186 (TG-186) is to provide guidance for early adopters of model-based dose calculation algorithms (MBDCAs) for brachytherapy (BT) dose calculations to ensure practice uniformity. Contrary to external beam radiotherapy, heterogeneity correction algorithms have only recently been made available to the BT community. Yet, BT dose calculation accuracy is highly dependent on scatter conditions and photoelectric effect cross-sections relative to water. In specific situations, differences between the current water-based BT dose calculation formalism (TG-43) and MBDCAs can lead to differences in calculated doses exceeding a factor of 10. MBDCAs raise three major issues that are not addressed by current guidance documents: (1) MBDCA calculated doses are sensitive to the dose specification medium, resulting in energy-dependent differences between dose calculated to water in a homogeneous water geometry (TG-43), dose calculated to the local medium in the heterogeneous medium, and the intermediate scenario of dose calculated to a small volume of water in the heterogeneous medium. (2) MBDCA doses are sensitive to voxel-by-voxel interaction cross sections. Neither conventional single-energy CT nor ICRU/ICRP tissue composition compilations provide useful guidance for the task of assigning interaction cross sections to each voxel. (3) Since each patient-source-applicator combination is unique, having reference data for each possible combination to benchmark MBDCAs is an impractical strategy. Hence, a new commissioning process is required. TG-186 addresses in detail the above issues through the literature review and provides explicit recommendations based on the current state of knowledge. TG-43-based dose prescription and dose calculation remain in effect, with MBDCA dose reporting performed in parallel when available. In using MBDCAs, it is recommended that the radiation transport should be performed in the heterogeneous medium and, at minimum, the dose to the local medium be reported along with the TG-43 calculated doses. Assignments of voxel-by-voxel cross sections represent a particular challenge. Electron density information is readily extracted from CT imaging, but cannot be used to distinguish between different materials having the same density. Therefore, a recommendation is made to use a number of standardized materials to maintain uniformity across institutions. Sensitivity analysis shows that this recommendation offers increased accuracy over TG-43. MBDCA commissioning will share commonalities with current TG-43-based systems, but in addition there will be algorithm-specific tasks. Two levels of commissioning are recommended: reproducing TG-43 dose parameters and testing the advanced capabilities of MBDCAs. For validation of heterogeneity and scatter conditions, MBDCAs should mimic the 3D dose distributions from reference virtual geometries. Potential changes in BT dose prescriptions and MBDCA limitations are discussed. When data required for full MBDCA implementation are insufficient, interim recommendations are made and potential areas of research are identified. Application of TG-186 guidance should retain practice uniformity in transitioning from the TG-43 to the MBDCA approach.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS1997

Automated Reuse of Scientific Subroutine Libraries through Deductive Synthesis

Systematic software construction offers the potential of elevating software engineering from an art-form to an engineering discipline. The desired result is more predictable software development leading to better quality and more maintainable software. However, the overhead costs associated with the formalisms, mathematics, and methods of systematic software construction have largely precluded their adoption in real-world software development. In fact, many mainstream software development organizations, such as Microsoft, still maintain a predominantly oral culture for software development projects; which is far removed from a formalism-based culture for software development. An exception is the limited domain of safety-critical software, where the high-assuiance inherent in systematic software construction justifies the additional cost. We believe that systematic software construction will only be adopted by mainstream software development organization when the overhead costs have been greatly reduced. Two approaches to cost mitigation are reuse (amortizing costs over many applications) and automation. For the last four years, NASA Ames has funded the Amphion project, whose objective is to automate software reuse through techniques from systematic software construction. In particular, deductive program synthesis (i.e., program extraction from proofs) is used to derive a composition of software components (e.g., subroutines) that correctly implements a specification. The construction of reuse libraries of software components is the standard software engineering solution for improving software development productivity and quality.

Lowry, Michael R.↗

DOE OSTI2019

Fast nonadiabatic dynamics of many-body quantum systems

Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of applicability. However, there remain many problems that are intractable for existing methods. In particular, many approaches face a huge computational barrier when modeling large numbers of coupled electrons and ions at finite temperature. Here, we address this shortfall with a new approach to modeling many-body quantum systems. On the basis of the Bohmian trajectory formalism, our new method treats the full particle dynamics with a considerable increase in computational speed. As a result, we are able to perform large-scale simulations of coupled electron-ion systems without using the adiabatic Born-Oppenheimer approximation.

Science & Technology - Other Topics↗

NASA NTRSDate not supplied

Towards Formalization of Advanced Linear Algebra with Applications to Dynamical Systems using PVS

Linear Algebra is essential for numerous aerospace problems of interest. Formal reasoning about hybrid systems that contain variables modeled by differential equations rely on concepts from Linear Algebra such as eigenvalues, matrix decompositions, and matrix valued functions. For example, the long-term dynamics of a system of differential equations depend on the stability/instability of its equilibrium points, which often reduces to an eigenvalue problem. This talk will embark on a quest to formalize theorems and results about eigenvalues and eigenvectors using PVS. We shall start our journey with 2 x 2 complex matrices, where we will apply our PVS code to a simple example of a dynamical system. Since it can be difficult or impossible to give simple expressions of eigenvalues for larger matrices (i.e. 5 x 5 or higher), we then move towards specifying the power method for verified computation of eigenvalue approximations in PVS. This effort requires development of multivariate complex arithmetic. At the end of the day, having such additions to the PVS NASA libraries will help move towards the use of formal methods to verify concepts of control theory and system level verification.

Linear Algebra↗

DOE OSTI2019

On the feasibility of using the spiral beam formalism for analysis of cardiograms

A contour analysis method based on a spiral beam formalism is proposed for cardiogram classification. A cardiogram contour proximity metric is introduced in spiral beam intensity space. Normal and infarction cardiograms are classified using the proposed method. The method is shown to provide adequate results in most of the cases examined. (paper)

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA NTRS2004

Formal Verification of a Conflict Resolution and Recovery Algorithm

New air traffic management concepts distribute the duty of traffic separation among system participants. As a consequence, these concepts have a greater dependency and rely heavily on on-board software and hardware systems. One example of a new on-board capability in a distributed air traffic management system is air traffic conflict detection and resolution (CD&R). Traditional methods for safety assessment such as human-in-the-loop simulations, testing, and flight experiments may not be sufficient for this highly distributed system as the set of possible scenarios is too large to have a reasonable coverage. This paper proposes a new method for the safety assessment of avionics systems that makes use of formal methods to drive the development of critical systems. As a case study of this approach, the mechanical veri.cation of an algorithm for air traffic conflict resolution and recovery called RR3D is presented. The RR3D algorithm uses a geometric optimization technique to provide a choice of resolution and recovery maneuvers. If the aircraft adheres to these maneuvers, they will bring the aircraft out of conflict and the aircraft will follow a conflict-free path to its original destination. Veri.cation of RR3D is carried out using the Prototype Verification System (PVS).

Maddalon, Jeffrey↗

NASA NTRS2007

Software Safety Risk in Legacy Safety-Critical Computer Systems

Safety-critical computer systems must be engineered to meet system and software safety requirements. For legacy safety-critical computer systems, software safety requirements may not have been formally specified during development. When process-oriented software safety requirements are levied on a legacy system after the fact, where software development artifacts don't exist or are incomplete, the question becomes 'how can this be done?' The risks associated with only meeting certain software safety requirements in a legacy safety-critical computer system must be addressed should such systems be selected as candidates for reuse. This paper proposes a method for ascertaining formally, a software safety risk assessment, that provides measurements for software safety for legacy systems which may or may not have a suite of software engineering documentation that is now normally required. It relies upon the NASA Software Safety Standard, risk assessment methods based upon the Taxonomy-Based Questionnaire, and the application of reverse engineering CASE tools to produce original design documents for legacy systems.

Hill, Janice↗

DOE OSTI2014

Zero modes in the light-front coupled-cluster method

The light-front coupled-cluster (LFCC) method is a technique for solving Hamiltonian eigenvalue problems in light-front-quantized field theories. Its primary purpose is to provide a systematic sequence of solvable approximations to the original eigenvalue problem without the truncation of Fock space. Here we discuss the incorporation of zero modes, modes of zero longitudinal momentum, into the formalism of the method. Without zero modes, the light-front vacuum is trivial, and the vacuum expectation value of the field is always zero. The LFCC method with zero modes provides for vacuum structure, in the form of a generalized coherent state of zero modes, as is illustrated here in two-dimensional model field theories. -- Highlights: •Extends the light-front coupled-cluster method to include zero modes. •Illustrates with an analysis of vacuum structure for phi-3, phi-4, and Wick–Cutkosky model field theories. •Demonstrates the applicability of the LFCC method to theories with spontaneous symmetry breaking.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2017

Automatic Estimation of Verified Floating-Point Round-Off Errors via Static Analysis

This paper introduces a static analysis technique for computing formally verified round-off error bounds of floating-point functional expressions. The technique is based on a denotational semantics that computes a symbolic estimation of floating-point round-o errors along with a proof certificate that ensures its correctness. The symbolic estimation can be evaluated on concrete inputs using rigorous enclosure methods to produce formally verified numerical error bounds. The proposed technique is implemented in the prototype research tool PRECiSA (Program Round-o Error Certifier via Static Analysis) and used in the verification of floating-point programs of interest to NASA.

Moscato, Mariano↗

NASA NTRS2004

Reduced-Order Blade Mistuning Analysis Techniques Developed for the Robust Design of Engine Rotors

The primary objective of this research program is to develop vibration analysis tools, design tools, and design strategies to significantly improve the safety and robustness of turbine engine rotors. Bladed disks in turbine engines always feature small, random blade-to-blade differences, or mistuning. Mistuning can lead to a dramatic increase in blade forced-response amplitudes and stresses. Ultimately, this results in high-cycle fatigue, which is a major safety and cost concern. In this research program, the necessary steps will be taken to transform a state-of-the-art vibration analysis tool, the Turbo-Reduce forced-response prediction code, into an effective design tool by enhancing and extending the underlying modeling and analysis methods. Furthermore, novel techniques will be developed to assess the safety of a given design. In particular, a procedure will be established for using eigenfrequency curve veerings to identify "danger zones" in the operating conditions--ranges of rotational speeds and engine orders in which there is a great risk that the rotor blades will suffer high stresses. This work also will aid statistical studies of the forced response by reducing the necessary number of simulations. Finally, new strategies for improving the design of rotors will be pursued. Several methods will be investigated, including the use of intentional mistuning patterns to mitigate the harmful effects of random mistuning, and the modification of disk stiffness to avoid reaching critical values of interblade coupling in the desired operating range. Recent research progress is summarized in the following paragraphs. First, significant progress was made in the development of the component mode mistuning (CMM) and static mode compensation (SMC) methods for reduced-order modeling of mistuned bladed disks (see the following figure). The CMM method has been formalized and extended to allow a general treatment of mistuning. In addition, CMM allows individual mode mistuning, which accounts for the realistic effects of local variations in blade properties that lead to different mistuning values for different mode types (e.g., mistuning of the first torsion mode versus the second flexural mode). The accuracy and efficiency of the CMM method and the corresponding Turbo-Reduce code were validated for an example finite element model of a bladed disk.

Min, James B.↗

NASA NTRS1988

Periodic response of nonlinear systems

A procedure is developed to determine approximate periodic solutions of autonomous and non-autonomous systems. The trignometric collocation method (TCM) is formalized to allow for the analysis of relatively small order systems directly in physical coordinates. The TCM is extended to large order systems by utilizing modal analysis in a component mode synthesis strategy. The procedure was coded and verified by several check cases. Numerical results for two small order mechanical systems and one large order rotor dynamic system are presented. The method allows for the possibility of approximating periodic responses for large order forced and self-excited nonlinear systems.

Nataraj, C.↗

DOE OSTI2013

DELO-BEZIER FORMAL SOLUTIONS OF THE POLARIZED RADIATIVE TRANSFER EQUATION

We present two new accurate and efficient methods to compute the formal solution of the polarized radiative transfer equation. In this work, the source function and the absorption matrix are approximated using quadratic and cubic Bezier spline interpolants. These schemes provide second- and third-order approximations, respectively, and do not suffer from erratic behavior of the polynomial approximation (overshooting). The accuracy and the convergence of the new method are studied along with other popular solutions of the radiative transfer equation, using stellar atmospheres with strong gradients in the line-of-sight velocity and in the magnetic-field vector.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Photon topology

The topology of photons in vacuum is interesting because there are no photons with k = 0, creating a hole in momentum space. We show that while the set of all photons forms a trivial vector bundle $γ$ over this momentum space, the R and L photons form topologically nontrivial subbundles $γ±$ with first Chern numbers ∓2. In contrast, $γ$ has no linearly polarized subbundles, and there is no Chern number associated with linear polarizations. It is a known difficulty that the standard version of Wigner’s little group method produces singular representations of the Poincaré group for massless particles. By considering representations of the Poincaré group on vector bundles we obtain a version of Wigner’s little group method for massless particles which avoids these singularities. Here we show that any massless bundle representation of the Poincaré group can be canonically decomposed into irreducible bundle representations labeled by helicity, which in turn can be associated to smooth irreducible Hilbert space representations. This proves that the R and L photons are globally well defined as particles and that the photon wave function can be uniquely split into R and L components. This formalism offers a method of quantizing the electromagnetic field without invoking discontinuous polarization vectors as in the traditional scheme. We also demonstrate that the spin-Chern number of photons is not a purely topological quantity. Lastly, there has been an extended debate on whether photon angular momentum can be split into spin and orbital parts. Our work explains the precise issues that prevent this splitting. Photons do not admit a spin operator; instead, the angular momentum associated with photons’ internal degree of freedom is described by a helicity-induced subalgebra corresponding to the translational symmetry of $γ$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Application of the complex-scaling method to few-body scattering

A formalism based on the complex-scaling method is developed for solving the few-particle scattering problem, in terms of bound state boundary conditions. Several applications are presented to demonstrate the efficiency of the method for computing the elastic and three-body breakup reactions in systems described by Hamiltonians which may include both short- and long-range interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Ultrafast disruptive probing: Simultaneously keeping track of tens of reaction pathways

Ultrafast science depends on different implementations of the well-known pump–probe method. Here, we provide a formal description of ultrafast disruptive probing, a method in which the probe pulse disrupts a transient species that may be a metastable ion or a transient state of matter. Disruptive probing has the advantage of allowing for simultaneous tracking of the yield of tens of different processes. Our presentation includes a numerical model and experimental data on multiple products resulting from the strong-field ionization of two different molecules, partially deuterated methanol and norbornene. The correlated enhancement and depletion signals between all the different fragmentation channels offer comprehensive information on photochemical reaction pathways. In combination with ion imaging and/or coincidence momentum imaging or as complementary to atom-specific probing or ultrafast diffraction methods, disruptive probing is a particularly powerful tool for the study of strong-field laser–matter interactions.

47 OTHER INSTRUMENTATION↗

DOE OSTI2015

A deterministic solution of the first order linear Boltzmann transport equation in the presence of external magnetic fields

Purpose: Accurate radiotherapy dose calculation algorithms are essential to any successful radiotherapy program, considering the high level of dose conformity and modulation in many of today’s treatment plans. As technology continues to progress, such as is the case with novel MRI-guided radiotherapy systems, the necessity for dose calculation algorithms to accurately predict delivered dose in increasingly challenging scenarios is vital. To this end, a novel deterministic solution has been developed to the first order linear Boltzmann transport equation which accurately calculates x-ray based radiotherapy doses in the presence of magnetic fields. Methods: The deterministic formalism discussed here with the inclusion of magnetic fields is outlined mathematically using a discrete ordinates angular discretization in an attempt to leverage existing deterministic codes. It is compared against the EGSnrc Monte Carlo code, utilizing the emf-macros addition which calculates the effects of electromagnetic fields. This comparison is performed in an inhomogeneous phantom that was designed to present a challenging calculation for deterministic calculations in 0, 0.6, and 3 T magnetic fields oriented parallel and perpendicular to the radiation beam. The accuracy of the formalism discussed here against Monte Carlo was evaluated with a gamma comparison using a standard 2%/2 mm and a more stringent 1%/1 mm criterion for a standard reference 10 × 10 cm{sup 2} field as well as a smaller 2 × 2 cm{sup 2} field. Results: Greater than 99.8% (94.8%) of all points analyzed passed a 2%/2 mm (1%/1 mm) gamma criterion for all magnetic field strengths and orientations investigated. All dosimetric changes resulting from the inclusion of magnetic fields were accurately calculated using the deterministic formalism. However, despite the algorithm’s high degree of accuracy, it is noticed that this formalism was not unconditionally stable using a discrete ordinate angular discretization. Conclusions: The feasibility of including magnetic field effects in a deterministic solution to the first order linear Boltzmann transport equation is shown. The results show a high degree of accuracy when compared against Monte Carlo calculations in all magnetic field strengths and orientations tested.

60 APPLIED LIFE SCIENCES↗