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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Formation of Superheavy Elements in Nature

It is shown that superheavy elements may also be formed in the main r process responsible for the formation of the heaviest elements observed in nature. Under conditions of a high neutron density, the nucleosynthesis region lies close to the neutron drip line, so that the r process may circumvent the region where nuclei undergo spontaneous fissions and therefore have short lifetimes. However, a high induced-fission rate, which increases with the charge number, may prevent the nucleosynthesis wave from overcoming the region of isotopes heavier than curium, and the beta-decay chain leading to an increase in the charge number of product elements inevitably results in the spontaneous fission of the majority of product nuclei. Calculations of nucleosynthesis that were performed with available nuclear data within the scenario of a neutron-star merger reveal that only Z < 106 superheavy elements are formed. Their abundance at the end of the r process is commensurate with the abundance of uranium, but their lifetime does not exceed several years, so that they fast undergo decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Low-Order Preconditioning for the High-Order Finite Element de Rham Complex

Here, we present a unified framework for constructing spectrally equivalent low-order-refined discretizations for the high-order finite element de Rham complex. This theory covers diffusion problems in H 1 , H(curl), and H(div) and is based on combining a low-order discretization posed on a refined mesh with a high-order basis for Nédélec and Raviart–Thomas elements that makes use of the concept of polynomial histopolation (polynomial fitting using prescribed mean values over certain regions). This spectral equivalence, coupled with algebraic multigrid methods constructed using the low-order discretization, results in highly scalable matrix-free preconditioners for high-order finite element problems in the full de Rham complex. Additionally, a new lowest-order (piecewise constant) preconditioner is developed for high-order interior penalty discontinuous Galerkin (DG) discretizations, for which spectral equivalence results and convergence proofs for algebraic multigrid methods are provided. In all cases, the spectral equivalence results are independent of polynomial degree and mesh size; for DG methods, they are also independent of the penalty parameter. These new solvers are flexible and easy to use; any “black-box” preconditioner for low-order problems can be used to create an effective and efficient preconditioner for the corresponding high-order problem. A number of numerical experiments are presented, based on an implementation in the finite element library MFEM. A range of challenging three-dimensional problems are used to corroborate the theoretical properties and demonstrate the flexibility and scalability of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

A COMPARISON OF TRANSIENT INFINITE ELEMENTS AND TRANSIENT KIRCHHOFF INTEGRAL METHODS FOR FAR FIELD ACOUSTIC ANALYSIS

Finite element analysis of transient acoustic phenomena on unbounded exterior domains is very common in engineering analysis. In these problems there is a common need to compute the acoustic pressure at points outside of the acoustic mesh, since meshing to points of interest is impractical in many scenarios. In aeroacoustic calculations, for example, the acoustic pressure may be required at tens or hundreds of meters from the structure. In these cases, a method is needed for post-processing the acoustic results to compute the response at far-field points. In this paper, we compare two methods for computing far-field acoustic pressures, one derived directly from the infinite element solution, and the other from the transient version of the Kirchhoff integral. Here, we show that the infinite element approach alleviates the large storage requirements that are typical of Kirchhoff integral and related procedures, and also does not suffer from loss of accuracy that is an inherent part of computing numerical derivatives in the Kirchhoff integral. In order to further speed up and streamline the process of computing the acoustic response at points outside of the mesh, we also address the nonlinear iterative procedure needed for locating parametric coordinates within the host infinite element of far-field points, the parallelization of the overall process, linear solver requirements, and system stability considerations.

42 ENGINEERING↗
DOE OSTI2016

Wavelength Scanning with a Tilting Interference Filter for Glow-Discharge Elemental Imaging

Glow discharges have long been used for depth profiling and bulk analysis of solid samples. In addition, over the past decade, several methods of obtaining lateral surface elemental distributions have been introduced, each with its own strengths and weaknesses. Challenges for each of these techniques are acceptable optical throughput and added instrumental complexity. Here, these problems are addressed with a tilting-filter instrument. A pulsed glow discharge is coupled to an optical system comprising an adjustable-angle tilting filter, collimating and imaging lenses, and a gated, intensified charge-coupled device (CCD) camera, which together provide surface elemental mapping of solid samples. The tilting-filter spectrometer is instrumentally simpler, produces less image distortion, and achieves higher optical throughput than a monochromator-based instrument, but has a much more limited tunable spectral range and poorer spectral resolution. As a result, the tilting-filter spectrometer is limited to single-element or two-element determinations, and only when the target spectral lines fall within an appropriate spectral range and can be spectrally discerned. Spectral interferences that result from heterogeneous impurities can be flagged and overcome by observing the spatially resolved signal response across the available tunable spectral range. Lastly, the instrument has been characterized and evaluated for the spatially resolved analysis of glow-discharge emission from selected but representative samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Quantification of Rare Earth Elements in the Parts Per Million Range: A Novel Approach in the Application of Laser-Induced Breakdown Spectroscopy

This work extends a previous percentage level concentration study of the optical emission spectra for six rare earth elements, europium (Eu), gadolinium (Gd), lanthanum (La), praseodymium (Pr), neodymium (Nd), and samarium (Sm), along with the transition metal, yttrium (Y) using laser-induced breakdown spectroscopy (LIBS). The concentration of these six rare earth elements and yttrium has been attempted for the first time systematically down to parts per million (ppm) concentration levels ranging from 30 to 300 ppm. In this study, the authors have developed multivariate models for each element capable of predicting concentration with acceptable to excellent levels of accuracy. Additionally, partial least squares regression coefficients were used to identify key spectral features able to be used in this lower concentration regime. This study has demonstrated that it is conceivable to quantify the six rare earth elements along with yttrium at low concentrations in the parts per million levels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Recent advances in analysis of trace elements in environmental samples by X-ray based techniques (IUPAC Technical Report)

Trace elements analysis is a foundational challenge in environmental sciences. Scientists measure trace elements in environmental media in order to assess the quality and safety of ecosystems and to quantify the burden of anthropogenic pollution. Among the available analytical techniques, X-ray based methods are particularly powerful, as they can quantify trace elements in situ . Chemical extraction is not required, as is the case for many other analytical techniques. In the last few years, the potential for X-ray techniques to be applied in the environmental sciences has dramatically increased due to developments in laboratory instruments and synchrotron radiation facilities with improved sensitivity and spatial resolution. In this report, we summarize the principles of the X-ray based analytical techniques most frequently employed to study trace elements in environmental samples. We report on the most recent developments in laboratory and synchrotron techniques, as well as advances in instrumentation, with a special attention on X-ray sources, detectors, and optics. Lastly, we inform readers on recent applications of X-ray based analysis to different environmental matrices, such as soil, sediments, waters, wastes, living organisms, geological samples, and atmospheric particulate, and we report examples of sample preparation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Progress toward a new implementation of the mortar finite element method in MOOSE

The mortar finite element method has been used for many years in a variety of applications, including the enforcement of continuity conditions across decomposed domains, the implementation of Dirichlet boundary conditions, obtaining improved estimates of surface fluxes, and for solving large deformation contact mechanics problems. There is a currently great deal of interest in developing more robust mechanical and thermal contact solution strategies in the MOOSE framework and physics modules, and schemes based on the mortar finite element approach appear to be a promising avenue of development. There are a number of challenges associated with the development of a robust Lagrange multiplier based formulation of the mortar finite element method which can be tackled using the relatively simple framework of thermal contact problems, before tackling more complicated applications such as thermomechanical contact. In this report, we describe several aspects of our mortar finite element method implementation for solving thermal contact problems. The approach and notation used are based primarily based on the work of Bin Yang et al. ("Two dimensional mortar contact methods for large deformation frictional sliding," International Journal for Numerical Methods in Engineering 62(9), 2005).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Fungal elemental profiling unleashed through rapid laser-induced breakdown spectroscopy (LIBS)

Elemental profiling of fungal species as a phenotyping tool is an understudied topic and is typically performed to examine plant tissue or non-biological materials. Traditional analytical techniques such as inductively coupled plasma–optical emission spectroscopy (ICP-OES) and inductively coupled plasma–mass spectrometry (ICP-MS) have been used to identify elemental profiles of fungi; however, these techniques can be cumbersome due to the difficulty of preparing samples. Additionally, the instruments used for these techniques can be expensive to procure and operate. Laser-induced breakdown spectroscopy (LIBS) is an alternative elemental analytical technique—one that is sensitive across the periodic table, easy to use on various sample types, and is cost-effective in both procurement and operation. LIBS has not been used on axenic filamentous fungal isolates grown in substrate media. In this work, as a proof of concept, we used LIBS on two genetically distinct fungal species grown on a nutrient-rich and nutrient-poor substrate media to determine whether robust elemental profiles can be detected and whether differences between the fungal isolates can be identified. This data set contains the raw LIBS spectral data for the summarized results described inRush, et. al. 2024

elemental profiling↗
DOE OSTI2025

Space-Time Finite Element Tensor Network Approach for the Time-Dependent Convection–Diffusion–Reaction Equation with Variable Coefficients

In this paper, we present a new space-time Galerkin-like method, where we treat the discretization of spatial and temporal domains simultaneously. This method utilizes a mixed formulation of the tensor-train (TT) and quantized tensor-train (QTT) (please see Section Tensor-Train Decomposition), designed for the finite element discretization (Q1-FEM) of the time-dependent convection–diffusion–reaction (CDR) equation. We reformulate the assembly process of the finite element discretized CDR to enhance its compatibility with tensor operations and introduce a low-rank tensor structure for the finite element operators. Recognizing the banded structure inherent in the finite element framework’s discrete operators, we further exploit the QTT format of the CDR to achieve greater speed and compression. Additionally, we present a comprehensive approach for integrating variable coefficients of CDR into the global discrete operators within the TT/QTT framework. The effectiveness of the proposed method, in terms of memory efficiency and computational complexity, is demonstrated through a series of numerical experiments, including a semi-linear example.

convection–diffusion–reaction equation↗
DOE OSTI2017

Sunspots, Starspots, and Elemental Abundances

Element abundances in the solar photosphere, chromosphere, transition region, and corona are key parameters for investigating sources of the solar wind and for estimating radiative losses in the quiet corona and in dynamical events such as solar flares. Abundances in the solar corona and photosphere differ from each other depending on the first ionization potential (FIP) of the element. Normally, abundances with FIP values less than about 10 eV are about 3–4 times more abundant in the corona than in the photosphere. However, recently, an inverse FIP effect was found in small regions near sunspots where elements with FIP less than 10 eV are less abundant relative to high FIP elements (⩾10 eV) than they are in the photosphere. This is similar to fully convective stars with large starspots. The inverse FIP effect is predicted to occur in the vicinity of sunspots/starspots. Up to now, the solar anomalous abundances have only been found in very spatially small areas. In this paper, we show that in the vicinity of sunspots there can be substantially larger areas with abundances that are between coronal and photospheric abundances and sometimes just photospheric abundances. In some cases, the FIP effect tends to shut down near sunspots. We examine several active regions with relatively large sunspots that were observed with the Extreme-ultraviolet Imaging Spectrometer on the Hinode spacecraft in cycle 24.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

R -process Element Cosmic Rays from Neutron Star Mergers

Neutron star mergers (NSMs) are one of the most plausible sources of r -process elements in the universe. Therefore, NSMs can also be a major source of ultra-heavy elements in cosmic rays. In this paper, we first estimate the contribution of r -process elements synthesized in NSMs to the ultra-heavy element cosmic rays (UHCRs) by calculating transport equations that take into account energy loss processes and spallations. We show that the flux of UHCRs accelerated by the NSMs themselves fluctuates by many orders of magnitude on a timescale of several million years and can overwhelm UHCRs accelerated by supernova remnants (SNRs) after an NSM takes place within a few kiloparsec from the solar system. Experiments with very long exposure times using meteorites as UHCR detectors can detect this fluctuation. As a consequence, we show that if NSMs are the primary source of UHCRs, future experiments using meteorites may be able to reveal the event history of NSMs in the solar vicinity. We also describe a possible difference in the abundance pattern and energy spectrum of UHCRs between NSM and SNR accelerations.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Azimuthally-dependent Finite Element Solution to the Cylindrical Resonator

The cylindrical cavity resonator loaded with an anisotropic dielectric is analyzed as a two-dimensional problem using a finite element approach that assumes sinusoidal dependence in azimuth. This methodology allows the first finite element treatment of the technically important case of a resonator containing a sapphire element with a cylindrically aligned c axis. Second order trial functions together with quadrilateral elements are adopted in the calculations. The method was validated through comparisons with the analytical solutions for the hollow metal cavity and a coaxial cavity, as well as through measurements on a shielded sapphire resonator.

cylindrical resonator two-dimensional finite eleme↗
NASA NTRS2022

The Lithophile Element Budget of Earth’s Core

The relative composition of Earth’s core and mantle were set during core formation. By determining how elements partition between metal and silicate at high pressures and temperatures, measurements of the mantle composition and geophysical observations of the core can be used to understand the mechanisms by which Earth formed. Here we present the results of metal–silicate partitioning experiments for a range of nominally lithophile elements (Al, Ca, K, Mg, O, S, Si, Th, U) and S to 85 GPa and up to 5400 K. With our results and a compilation of literature data, we developed a parameterization for partitioning that accounts for compositional dependencies in both the metal and silicate phases. Using this parameterization in a range of planetary growth models, we find that, in general, lithophile element partitioning into the metallic phase is enhanced at high temperatures. The relative abundances of FeO, SiO2 and MgO in the mantle vary significantly between planetary growth models, and the mantle abundances of these elements can be used to provide important constraints on Earth’s accretion. To match Earth’s core mass and mantle composition, Earth’s building blocks must have been enriched in Fe and depleted in Si compared with CI chondrites. Finally, too little Mg, Si and O are partitioned into the core for precipitation of oxides to be a major source of energy for the geodynamo. In contrast, several ppb of U can be partitioned into the core at high temperatures, and this energy source must be accounted for in thermal evolution models.

dynamo↗
DOE OSTI2016

Pellet Cladding Mechanical Interaction Modeling Using the Extended Finite Element Method

As a brittle material, the ceramic UO2 used as light water reactor fuel experiences significant fracturing throughout its life, beginning with the first rise to power of fresh fuel. This has multiple effects on the thermal and mechanical response of the fuel/cladding system. One such effect that is particularly important is that when there is mechanical contact between the fuel and cladding, cracks that extending from the outer surface of the fuel into the volume of the fuel cause elevated stresses in the adjacent cladding, which can potentially lead to cladding failure. Modeling the thermal and mechanical response of the cladding in the vicinity of these surface-breaking cracks in the fuel can provide important insights into this behavior to help avoid operating conditions that could lead to cladding failure. Such modeling has traditionally been done in the context of finite-element-based fuel performance analysis by modifying the fuel mesh to introduce discrete cracks. While this approach is effective in capturing the important behavior at the fuel/cladding interface, there are multiple drawbacks to explicitly incorporating the cracks in the finite element mesh. Because the cracks are incorporated in the original mesh, the mesh must be modified for cracks of specified location and depth, so it is difficult to account for crack propagation and the formation of new cracks at other locations. The extended finite element method (XFEM) has emerged in recent years as a powerful method to represent arbitrary, evolving, discrete discontinuities within the context of the finite element method. Development work is underway by the authors to implement XFEM in the BISON fuel performance code, and this capability has previously been demonstrated in simulations of fracture propagation in ceramic nuclear fuel. These preliminary demonstrations have included only the fuel, and excluded the cladding for simplicity. This paper presents initial results of efforts to apply XFEM to model stress concentrations induced by fuel fractures at the fuel/cladding interface during pellet cladding mechanical interaction (PCMI). This is accomplished by enhancing the thermal and mechanical contact enforcement algorithms employed by BISON to permit their use in conjunction with XFEM. The results from this methodology are demonstrated to be equivalent to those from using meshed discrete cracks. While the results of the two methods are equivalent for the case of a stationary crack, it is demonstrated that XFEM provides the additional flexibility of allowing arbitrary crack initiation and propagation during the analysis, and minimizes model setup effort for cases with stationary cracks.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

An angularly refineable phase space finite element method with approximate sweeping procedure

An angularly refineable phase space finite element method is proposed to solve the neutron transport equation. The method combines the advantages of two recently published schemes. The angular domain is discretized into small patches and patch-wise discontinuous angular basis functions are restricted to these patches, i.e. there is no overlap between basis functions corresponding to different patches. This approach yields block diagonal Jacobians with small block size and retains the possibility for S{sub n}-like approximate sweeping of the spatially discontinuous elements in order to provide efficient preconditioners for the solution procedure. On the other hand, the preservation of the full FEM framework (as opposed to collocation into a high-order S{sub n} scheme) retains the possibility of the Galerkin interpolated connection between phase space elements at arbitrary levels of discretization. Since the basis vectors are not orthonormal, a generalization of the Riemann procedure is introduced to separate the incoming and outgoing contributions in case of unstructured meshes. However, due to the properties of the angular discretization, the Riemann procedure can be avoided at a large fraction of the faces and this fraction rapidly increases as the level of refinement increases, contributing to the computational efficiency. In this paper the properties of the discretization scheme are studied with uniform refinement using an iterative solver based on the S{sub 2} sweep order of the spatial elements. The fourth order convergence of the scalar flux is shown as anticipated from earlier schemes and the rapidly decreasing fraction of required Riemann faces is illustrated. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

High Order Finite Elements S{sub N} Transport in X-Y Geometry on Meshes with Curved Surfaces

Radiation hydrodynamics is useful to model astrophysics, ICF, and glass manufacturing. A large amount of research has been conducted to understand how to solve hydrodynamics equations using high-order finite elements. Researchers at LLNL have developed a general high-order FEM library, Modular Finite Element Methods (MFEM), to enable this research. The BLAST code uses MFEM to evolve the Lagrangian hydrodynamics equations, resulting in meshes with higher order curved surfaces. Our research focuses on the requirements for high order finite element solutions of the radiation transport equation with the eventual goal of studying the complete high-order radiation hydrodynamics solution methodology. For this research we used MFEM to develop a proof-of-concept code that solves the high order finite element transport equations in Cartesian coordinates on meshes with curved surfaces. We have solved several test problems to assess the behavior of our method. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

A Continuous-Discontinuous Hybrid Finite Element Method for S{sub N} Transport

Particle transport phenomenon for neutral particles, such as neutrons and photons, is governed by the linear Boltzmann equation, which is a first-order partial differential equation (PDE). In order to solve the transport equation, discontinuous finite element method (DFEM) is heavily developed. However, the large memory consumption due to the extra degrees of freedom is problematic in multi-D calculations. Another path is to recast the transport equation to a second-order form, such as the well-known self-adjoint angular flux equation (SAAF) and the even parity equations, and spatially discretize the equation using continuous finite element method (CFEM). Yet, such forms generally have problems in void situation as the streaming operator contains a 1/σ{sub t} term and becomes singular in void, which draws numerous efforts on developing void-treatment methods. An intuition to mitigate the shortcomings of both methods is then to develop a method that utilizes DFEM in part of the problem where CFEM has issues while in the other part, CFEM is employed to avoid DFEM's high cost. In this work, we present a novel continuous-discontinuous finite element method (CDFEM) for solving the discrete-ordinates (S{sub N}) transport equations. We perform the hybridization between 1/σ{sub t}-weighted least-squares finite element methods (1/σ{sub t}-LSFEM), with continuous basis functions, and first-order solver. Different solvers are defined in different regions, or subdomains, of the problem. The resulting scheme is such that CFEM-SAAF is performed in subdomains with continuous basis functions while upwinding based DFEM solver is utilized in subdomains with discontinuous basis functions. The connection between subdomains is through an upwinding operation on the interface, which can be performed via the sweep procedure. A foreseeable benefit is such a scheme is compatible with void as first-order DFEM solver can be used in void. On the other hand, as DFEM is only used in part of the problem, CDFEM can effectively avoid the notorious memory consumption of DFEM in multi-D calculation for the future work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Extraction and Separation of Rare-Earth Elements from Coal Fly Ash and Leachate using a Recyclable Ionic Liquid

Coal fly ash (CFA) can be a promising source for recovering rare-earth elements (REEs), as it contains a broad range of REEs with average concentrations frequently exceeding those in traditional rare earth mines. Recent research from our group has demonstrated that REEs can be preferentially extracted from CFA solids using a recyclable ionic liquid (IL), betainium bis-(trifluoromethylsulfonyl)imide ([Hbet][Tf2N]). When CFA was heated with the mixture of IL and an aqueous solution above 65°C, most leached REEs partitioned into the IL phase and were separated from the bulk elements. Subsequent acid stripping of the REE-loaded IL removed the REEs and regenerated the IL for reuse in multiple extraction cycles. This IL-based REE-CFA recovery method has been applied to ten CFA samples derived from different coal sources, including ash recovered from disposal ponds. Analysis of 34 elements confirmed the process consistently achieved high REE recovery efficiency, with strong selectivity over bulk and trace elements across diverse CFA types. In addition to the IL-solid extraction, the performance of [Hbet][Tf2N] in extracting REEs from fly-ash leachates have been evaluated by four commonly used leaching reagents, including HCl, HNO3, H2SO4, and citrate. During the IL-leachate extraction, [Hbet][Tf2N] was mixed and heated with a Class C fly ash leachate generated from each leaching reagent, followed by an acid stripping. It was observed that the partitioning and recovery of REEs increased as the leachate pH increased from 3 to 11. Among the investigated leachates, HCl and citrate proved to be the most compatible with IL extraction, exhibiting a slightly higher REE recovery and a lower non-REE co-extraction compared to the IL-solid extraction. Sc, Y, Nd, Sm, Gd, Dy, and Yb consistently showed a high recovery rate from both CFA solids and leachates. Notably, Pr, Tb, and Ho, which were not previously leached from the CFA solids, were partially recovered from the leachates. Overall, our studies revealed the strong potential of [Hbet][Tf2N] for effectively recovering REEs from leachates, highlighting its applicability as a sustainable strategy for other aqueous REE feedstocks. Furthermore, a techno-economic analysis will be performed to quantify the economic viability of the IL-based REE recovery method and guide future process improvement.

42 ENGINEERING↗