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All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Scatter in Carbon/Silicon Carbide (C/SiC) Composites Quantified

Carbon-fiber-reinforced silicon carbide matrix (C/SiC) composites processed by chemical vapor infiltration are candidate materials for aerospace thermal structures. Carbon fibers can retain properties at very high temperatures, but they are known to have poor oxidation resistance in adverse, high-temperature environments. Nevertheless, the combination of CVI-SiC matrix with higher stiffness and oxidation resistance, the interfacial coating, and additional surface-seal coating provides the necessary protection to the carbon fibers, and makes the material viable for high-temperature space applications operating under harsh environments. Furthermore, C/SiC composites, like other ceramic matrix composites (CMCs), exhibit graceful non-catastrophic failure because of various inherent energy dissipating mechanisms. The material exhibits nonlinearity in deformation even at very low stress levels. This is the result of the severe matrix microcracking present in the as processed composite because of large differences between the coefficients of thermal expansion of the fiber and the matrix. Utilization of these advanced composites in next generation space vehicles will require innovative structural configurations, updated materials, and refined analyses. Structural safety issues for these vehicles are in direct competition with performance and cost. One would have to quantify the uncertainties associated with the design using formal probabilistic methods. Specifically four fundamental aspects on which analyses are based-- (1) loading conditions, (2) material behavior, (3) geometrical configurations, and (4) structural connections between the composite components and baseline structure--are stochastic in nature. A direct way to formally account for uncertainties is to develop probabilistic structural analysis methods where all participating variables are described by appropriate probability density functions. The present work, however, focuses on analyzing the stochastic material behavior of these advanced composites using formal probabilistic analysis methods. Often, some of the desirable property characteristics that allow composites to offer advantages over conventional structural materials (like tailoring of composite properties) and the complexity are in fact responsible for their greater statistical variability and the requirements for more characterization tests. Composite properties are anisotropic as well, having different properties in different directions. This means that characterization of a property such as stiffness--which will vary greatly depending on the orientation of the fiber relative to the direction of the testing--must be repeated for several different directions and loading conditions. The fabrication process for composites also introduces statistical variations in properties and geometry. A composite part is produced in a number of steps, each of which introduces statistical variability. The matrix is usually produced from a combination of raw materials; and the fiber, which has its own set of properties, is often coated or surface treated, introducing yet another source of variability.

Murthy, Pappu L. N.↗
DOE OSTI2018

New insights into triaxiality and shape coexistence from odd-mass Rh 109

Rapid shape evolutions near A = 100 are now the focus of much attention in nuclear science. Much of the recent work has been centered on isotopes with Z ≤ 40, where the shapes are observed to transition between near-spherical to highly deformed with only a single pair of neutrons added. At higher Z, the shape transitions become more gradual as triaxiality sets in, yet the coexistence of varying shapes continues to play an important role in the low-energy nuclear structure, particularly in the odd-Z isotopes. Furthermore, this work aims to characterize competing shapes in the triaxial region between Zr and Sn isotopes using ultrafast timing techniques to measure lifetimes of excited states in the neutron-rich nucleus 109 Rh. The measurements confirm the persistence at higher Z of similarly large deformations observed near Z = 40. Moreover, we show that new self-consistent mean-field calculations, with proper treatment of the odd nucleon, are able to reproduce the coexisting triaxial and highly deformed configurations revealing, for the first time, the important contribution of the unpaired nucleon to these different shapes based on the blocking of specific single-particle orbitals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Characterization of Embedded Sensors in Stainless Steel Test Articles and Design/Planning for MAGNET Testing

The nuclear industry is pursuing microreactors that can be factory assembled and deployed to remote regions for reliable power generation. One class of microreactors uses a monolithic metal core block coupled to heat pipes for heat rejection, which results in significant thermal stresses in the monolithic structures. This work describes the initial characterization and test plan for evaluating stainless steel test articles fabricated with embedded sensors for measuring heat pipe performance limits, as well as spatially distributed temperatures and strains during electrically heated thermal testing. The electrically heated testing will be performed in the non-nuclear Microreactor Agile Non-Nuclear Testbed and Single Primary Heat Extraction and Removal Emulator facilities located at Idaho National Laboratory. The goals of these tests are to (1) accurately monitor temperature and strain distributions that result from differential thermal expansion in the test articles and (2) quantify heat rejection limits of heat pipes as a function of operating temperature and working fluid during steady-state and transient operations. More generally, the ability to monitor component and system health during microreactor operation is attractive for providing a high sensor density to inform a limited number of microreactor operators to ultimately reduce operation and maintenance costs and move toward semi-autonomous operation. This report discusses the characterization of embedded thermocouples and fiber optic sensors in relevant test articles, including cylindrical pipes and hexagonal monolithic test articles for heat pipe-based reactors. The sensors were embedded by placing them in machined channels and then building up additional material by using ultrasonic additive manufacturing (UAM). UAM is a solid-state welding process that uses downward pressure and a lateral scrubbing motion to bond thin metal foils to a base material layer by layer. The ultrasonic welding process relies on the plastic deformation of the metal—as opposed to typical melting and solidification—to break oxide scales and bond the metal layers. The characterization of these embedded sensors included evaluating fiber optic signal attenuation, observing residual strain in the fibers, investigating microstructural and mechanical aspects, and demonstrating the sensors under various thermal loads and acoustic vibrations. Post-embedding characterization showed a fine grain structure (<1 μm) near the interfaces of the bonded foils as a result of severe deformation from the welding process. A large increase in hardness was observed at the foil interfaces and the fiber/matrix interface compared with the bulk matrix. Even when compared with the SS304 interfaces, the higher hardness observed around the embedded fiber suggests a higher degree of deformation due to the soft metal coating around the silica fiber core. The distributed fiber-optic temperature sensors and embedded thermocouples reliably measured temperature distributions during steady-state and transient thermal testing. The embedded fiber-optic sensors reliably measured strain during both transient and steady-state testing and properly identified resonant frequencies during acoustic testing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2019

Exploration of Failure and Potential Damage Markers in Ti-6Al-4V

To improve prognostics for predicting component life, coupon tests were conducted on Ti-6Al-4V to investigate the development of damage. Various test types were employed (tension, creep, stress relaxation, and fatigue) under a wide range of temperatures and loading rates to engage various amounts of time-dependent and damage behavior. Both stiffness degradation and Poisson’s ratio were monitored to see if they were useful in indicating the initiation and accumulation of damage and subsequently the onset of failure. Stiffness exhibited large decreases with increasing strain when calculated using engineering stress and strain. However, minimal stiffness change was observed when using the true-stress and true- strain values. Detailed microscopy and image analysis were performed to document the actual physical damage that occurred within the various specimens. Two types of damage were observed: shallow surface cracks and internal pores. The severity of damage was greater in the region of localized necking and diminished further away from the neck. The area fraction of pores was higher in the necked region, yet even there it did not exceed more than a few percent and, in most cases, was significantly lower. It was observed that conditions that induced more time-dependent deformation (e.g., slower strain rate testing) resulted in a larger number of pores and larger pore sizes. The pores were always found to occur in the softer β-phase. The severity of observed damage was inconsistent with the large drop in engineering stiffness, but was more aligned with stiffness changes from the true-stress and -strain values. Poisson’s ratio was monitored on every test and showed promise as a damage indicator. It was found to be more sensitive than either the ultimate tensile strength or the inception of tertiary creep. However, calculation of Poisson’s ratio was found to be more involved than expected because of anisotropy and the presence of strain gradients along the specimen at large applied strains. First, the material had a moderate texture and resulted in anisotropy of the strains. Second, the evolution of Poisson’s ratio as a function of axial strain showed strange and unexpected behaviors, which necessitated more extensive analyses of its development. This led to an investigation on the use of small versus large strain approaches and the importance of making consistent measurements; that is, axial and transverse strain measurements over the same volume of material. Additionally, finite element analysis of a tensile sample indicated that non- uniform strain occurred in the sample prior to attaining the maximum strength. This, along with the location at which transverse strain was measured, had a significant influence on the resulting values of Poisson’s ratio. Based on this, lessons learned are offered for future testing.

Ti-6Al-4V↗
NASA NTRS2018

Optical Performance Prediction of the Thirty Meter Telescope after Initial Alignment Using Optical Modeling

We present an estimate of the optical performance of the Thirty Meter Telescope (TMT) after execution of the full telescope alignment plan. The TMT alignment is performed by the Global Metrology System (GMS) and the Alignment and Phasing System (APS). The GMS first measures the locations of the telescope optics and instruments as a function of elevation angle. These initial measurements will be used to adjust the optics positions and build initial elevation look-up tables. Then the telescope is aligned using starlight as the input for the APS at multiple elevation angles. APS measurements are used to refine the telescope alignment to build elevation and temperature dependent look-up tables. Due to the number of degrees of freedom in the telescope (over 10,000), the ability of the primary mirror to correct aberrations on other optics, the tight optical performance requirements and the multiple instrument locations, it is challenging to develop, test and validate these alignment procedures. In this paper, we consider several GMS and APS operational scenarios. We apply the alignment procedures to the model-generated TMT, which consists of various quasi-static errors such as polishing errors, passive supports errors, thermal and gravity deformations and installation position errors. Using an integrated optical model and Monte-Carlo framework, we evaluate the TMT’s aligned states using optical performance metrics at multiple instrument and field of view locations. The optical performance metrics include the Normalized Point Source Sensitivity (PSSN), RMS wavefront error before and after Adaptive Optics (AO) correction, pupil position change, and plate scale distortion.

Rogers, John↗
DOE OSTI2023

On the Morphodynamics of a Wide Class of Large‐Scale Meandering Rivers: Insights Gained by Coupling LES With Sediment‐Dynamics

Abstract In meandering rivers, interactions between flow, sediment transport, and bed topography affect diverse processes, including bedform development and channel migration. Predicting how these interactions affect the spatial patterns and magnitudes of bed deformation in meandering rivers is essential for various river engineering and geoscience problems. Computational fluid dynamics simulations can predict river morphodynamics at fine temporal and spatial scales but have traditionally been challenged by the large scale of natural rivers. We conducted coupled large‐eddy simulation and bed morphodynamics simulations to create a unique database of hydro‐morphodynamic data sets for 42 meandering rivers with a variety of planform shapes and large‐scale geometrical features that mimic natural meanders. For each simulated river, the database includes (a) bed morphology, (b) three‐dimensional mean velocity field, and (c) bed shear stress distribution under bankfull flow conditions. The calculated morphodynamics results at dynamic equilibrium revealed the formation of scour and deposition patterns near the outer and inner banks, respectively, while the location of point bars and scour regions around the apexes of the meander bends is found to vary as a function of the radius of curvature of the bends to the width ratio. A new mechanism is proposed that explains this seemingly paradoxical finding. The high‐fidelity simulation results generated in this work provide researchers and scientists with a rich numerical database for morphodynamics and bed shear stress distributions in large‐scale meandering rivers to enable systematic investigation of the underlying phenomena and support a range of river engineering applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

MOOSE Reactor Module: An Open-Source Capability for Meshing Nuclear Reactor Geometries

The U.S. Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has developed numerous physics solvers utilizing the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) framework for multiphysics reactor analysis. These solvers require input finite element meshes representing the discretized spatial domain. Typically, reactor analysts turn to licensed tools for the creation of reactor geometry meshes. Recently, open-source functionality has been added to the MOOSE framework to mesh common reactor geometries and improve MOOSE-based nuclear reactor application user workflows. The new functionality is primarily contained in the new Reactor module of MOOSE and includes support for hexagonal pins, assemblies, and cores, extended Cartesian geometry support, options for modeling static and rotating control drums within a hexagonal assembly, core periphery triangulation, and automatic tagging of pin, assembly, plane, and depletion regions for easier post processing of physics results. A set of reactor geometry mesh builder objects further streamlines the construction of hexagonal and Cartesian cores and allows mapping of materials to regions during mesh generation. The meshes produced with the MOOSE Reactor module may be used directly within MOOSE-based applications or exported as Exodus II files for use in other finite element solvers. The tools have been demonstrated and verified using a variety of NEAMS physics solvers on a range of reactor applications, including a sodium-cooled fast reactor core analysis using Griffin, a fast reactor assembly thermal deformation analysis using MOOSE Tensor Mechanics, and a heat pipe–cooled microreactor coupled analysis using Griffin, Bison, and Sockeye. MOOSE’s Reactor module provides significant advantages compared to the use of external meshing tools when analyzing Cartesian and hexagonal reactor lattices using MOOSE-based applications: immediate accessibility (open-source) to the end user, low barrier to entry for new users, speed of mesh generation, volume preservation of meshed fuel pins, and simplification of analysis workflow when used in conjunction with MOOSE-based applications.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Role of Fluorine in Chemomechanics of Cation-Disordered Rocksalt Cathodes

The role of nanoscale chemomechanical behavior in the macroscopic performance of functional materials is well recognized. For lithium-ion battery cathodes, tremendous effort has been devoted to the development of new chemistry and structure, yet fundamental understanding of the correlation between redox processes and mechanical properties of the novel materials lags behind. In the present study, we prepare large discrete single grains of Li-excess cation-disordered rocksalts (DRX) and investigate their chemomechanical behavior at the particle level, using nanoresolution X-ray and electron-based spectro-imaging and chemical mapping techniques. While irregular cracking upon lithium extraction leads to the eventual breakdown of the baseline DRX oxide (Li 1.2 Ti 0.4 Mn 0.4 O 2 ) particles at a high delithiation state, the fluorinated-DRX (Li 1.3 Ti 0.3 Mn 0.4 O 1.7 F 0.3 ) clearly displays aligned cracking along the <001> direction. The resulting periodicity in the cracking pattern enables the particles to retain their integrity and, consequently, improved electrochemical stability. Density functional theory (DFT) calculations showed that fluorination leads to increased concentration of Li+ on the (001) planes and preferential Li movements along the <001>-family directions, revealing the underlying mechanism for directional cracking. Overall, our study demonstrates the unique role of fluorine in modulating nanoscale chemomechanics, which in turn influences the evolution of charge and strain heterogeneity at the particle level. These insights provide important design guidelines in further improving DRX cathode materials.

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

Coulomb excitation of 102 Ru with 12 C and 16 O

Here, the Coulomb excitation of 102 Ru was performed with beams of 12 C and 16 O ions. The beam particles scattered at forward angles were momentum analyzed with a magnetic spectrograph. The resolution achieved enabled the populations of the $2^{+}_{1}$ state, the unresolved $2^{+}_{2}$/ $4^{+}_{1}$, and $2^{+}_{4}$/$3^{-}_{1}$, doublets of states, and the $3^{-}_{2}$ state to be determined as a function of the scattering angle. These populations are compared with gosia calculations, yielding B(E2; $2^{+}_{1}$→$0^{+}_{1}$) = 41.5 ± 2.3 W.u., B(E2; $2^{+}_{2}$→$0^{+}_{1}$) = 1.75 ± 0.11 W.u., B(E3; $3^{-}_{1}$→$0^{+}_{1}$) = 31.5 ± 3.5 W.u., and B(E3; $3^{-}_{2}$→$0^{+}_{1}$) = 6.8 ± 0.5 W.u. The B(E3; $3^{-}_{1}$→$0^{+}_{1}$) value is significantly larger than previously measured. The weakly populated $2^{+}_{3}$ state, presumed to be a member of the band built on the $0^{+}_{2}$ state, was observed clearly for a single angle only, and a fit to its population results in B(E2; $2^{+}_{3}$→$0^{+}_{1}$) = 0.053 ± 0.011 W.u. Using the known γ -ray branching ratios for the $2^{+}_{3}$ level, the B(E2; $2^{+}_{3}$→$0^{+}_{2}$) value is calculated to be 18 ± 4 W.u., substantially less than the B(E2; $2^{+}_{1}$→$0^{+}_{1}$) . This suggests that the deformation of the $0^{+}_{2}$ state is lower than that of the $0^{+}_{1}$ state. The results are compared with beyond-mean-field calculations with the Gogny-D1S interaction using the symmetry-conserving configuration-mixing method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1994

Ozone and stratospheric height waves for opposite phases of the QBO

The stratospheric quasi-biennial oscillation (QBO) provides an important source of interannual variations in the Northern Hemisphere. O'sullivan and Salby (1990) related extra-tropical eddy transport with the phase of the tropical QBO. When the tropical wind is easterly, the zero wind line is shifted into the winter hemisphere. Enhanced wave activity in middle latitudes acts to weaken the polar vortex. When the tropical wind is in the westerly phase the situation reverses. Heights at 30 mb and ozone configurations are contrasted in this paper for these two QBO phases. When the winter vortex deforms due to the amplification of planetary waves 1 and 2, extends westward and equatorward, the complementary band of low vorticity air spirals in toward the pole from lower latitudes. Sometimes, these planetary waves break (Juckes and McIntyre, 1987) and an irreversible mixing of air takes place between high and mid-latitudes. Global ozone patterns, as obtained form satellite observations, appear to be affected by planetary wave breaking (Leovy et al. 1985). This mixing results on regions with uniform ozone and potential vorticity. In the Southern Hemisphere (SH), Newman and Randel (1988) using Total Ozone Mapping Spectrometer (TOMS) data and the NMC analyses have found strong spatial correlation between the October mean temperature in the lower stratosphere and total ozone for the 1979 through 1986 years. Recently Nogues-Paegle et al.(1992) analyzed SH ozone and height data from 1986 to 1989. They found that leading empirical orthogonal functions (EOFs) for both ozone and 50 mb heights exhibit zonal wave 1 and 2 and that the correlations between ozone and 50 mb principal components (PCs) are high. The results were found to be consistent with a linear planetary wave advecting a passive tracer. In this paper, the dominant patterns of variability for 30 mb NMC heights and TOMS total ozone are obtained for the winter to summer transition (January to May) in the Northern Hemisphere (NH) for the years 1987-1990.

Mo, Kingtse C.↗
DOE OSTI2020

Regression Based Approach for Robust Finite Element Analysis on Arbitrary Grids. LDRD Final Report

This report summarizes the work performed under a one-year LDRD project aiming to enable accurate and robust numerical simulation of partial differential equations for meshes that are of poor quality. Traditional finite element methods use the mesh to both discretize the geometric domain and to define the finite element shape functions. The latter creates a dependence between the quality of the mesh and the properties of the finite element basis that may adversely affect the accuracy of the discretized problem. In this project, we propose a new approach for defining finite element shape functions that breaks this dependence and separates mesh quality from the discretization quality. At the core of the approach is a meshless definition of the shape functions, which limits the purpose of the mesh to representing the geometric domain and integrating the basis functions without having any role in their approximation quality. The resulting non-conforming space can be utilized within a standard discontinuous Galerkin framework providing a rigorous foundation for solving partial differential equations on low-quality meshes. We present a collection of numerical experiments demonstrating our approach in a wide range of settings: strongly coercive elliptic problems, linear elasticity in the compressible regime, and the stationary Stokes problem. We demonstrate convergence for all problems and stability for element pairs for problems which usually require inf-sup compatibility for conforming methods, also referring to a minor modification possible through the symmetric interior penalty Galerkin framework for stabilizing element pairs that would otherwise be traditionally unstable. Mesh robustness is particularly critical for elasticity, and we provide an example that our approach provides a greater than 5x improvement in accuracy and allows for taking an 8x larger stable timestep for a highly deformed mesh, compared to the continuous Galerkin finite element method. The report concludes with a brief summary of ongoing projects and collaborations that utilize or extend the products of this work.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2008

L-Band Transmit/Receive Module for Phase-Stable Array Antennas

Interferometric synthetic aperture radar (InSAR) has been shown to provide very sensitive measurements of surface deformation and displacement on the order of 1 cm. Future systematic measurements of surface deformation will require this capability over very large areas (300 km) from space. To achieve these required accuracies, these spaceborne sensors must exhibit low temporal decorrelation and be temporally stable systems. An L-band (24-cmwavelength) InSAR instrument using an electronically steerable radar antenna is suited to meet these needs. In order to achieve the 1-cm displacement accuracy, the phased array antenna requires phase-stable transmit/receive (T/R) modules. The T/R module operates at L-band (1.24 GHz) and has less than 1- deg absolute phase stability and less than 0.1-dB absolute amplitude stability over temperature. The T/R module is also high power (30 W) and power efficient (60-percent overall efficiency). The design is currently implemented using discrete components and surface mount technology. The basic T/R module architecture is augmented with a calibration loop to compensate for temperature variations, component variations, and path loss variations as a function of beam settings. The calibration circuit consists of an amplitude and phase detector, and other control circuitry, to compare the measured gain and phase to a reference signal and uses this signal to control a precision analog phase shifter and analog attenuator. An architecture was developed to allow for the module to be bidirectional, to operate in both transmit and receive mode. The architecture also includes a power detector used to maintain a transmitter power output constant within 0.1 dB. The use of a simple, stable, low-cost, and high-accuracy gain and phase detector made by Analog Devices (AD8302), combined with a very-high efficiency T/R module, is novel. While a self-calibrating T/R module capability has been sought for years, a practical and cost-effective solution has never been demonstrated. By adding the calibration loop to an existing high-efficiency T/R module, there is a demonstrated order-of-magnitude improvement in the amplitude and phase stability.

Andricos, Constantine↗
DOE OSTI2024

A discontinuous piecewise polynomial generalized moving least squares scheme for robust finite element analysis on arbitrary grids

A variational approach is developed with a meshless discretization to enable accurate and robust numerical simulation of partial differential equations for meshes that are of poor quality. Traditional finite element methods use the mesh to both discretize the geometric domain and to define the finite element shape functions. The latter creates a dependence between the quality of the mesh and the properties of the finite element basis that may adversely affect the accuracy of the discretized problem. Here, we propose a new approach for defining finite element shape functions that breaks this dependence and separates mesh quality from the discretization quality, which we call discontinuous piecewise polynomial generalized moving least squares (DPP-GMLS). At the core of the approach is a meshless definition of the shape functions, which limits the purpose of the mesh to representing the geometric domain and integrating the basis functions without having any role in their approximation quality. The resulting non-conforming space can be utilized within a standard discontinuous Galerkin framework, providing a rigorous foundation for solving partial differential equations on low-quality meshes. We present a collection of numerical experiments demonstrating our approach in a wide range of settings: strongly coercive elliptic problems, linear elasticity in the compressible regime, and the stationary Stokes problem. We demonstrate convergence for all problems and stability for element pairs for problems which usually require inf-sup compatibility for conforming methods, also referring to a minor modification possible through the symmetric interior penalty Galerkin framework for stabilizing element pairs that would otherwise be traditionally unstable. Mesh robustness is particularly critical for elasticity, and we provide an example that our approach provides a greater than 5 x improvement in accuracy and allows for taking an 8 x larger stable timestep for a highly deformed mesh, compared to the continuous Galerkin finite element method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

An assessment of spall failure modes in laser powder bed fusion fabricated stainless steel 316L with low-volume intentional porosity

Here, this paper reports on spall failure and damage modes in Laser Powder Bed Fusion fabricated Stainless Steel 316L (SS316L) with intentional levels of low-volume (1–5 vol. %) porosity and pore sizes of 200, 350, and 500 μm. The fabricated specimens were subjected to uniaxial-strain plate-impact loading at ~4.5 GPa, to initiate incipient spall failure. Analysis of velocimetry profiles measured using multi-probe photon-Doppler velocimetry coupled with post-mortem analysis of soft-recovered samples reveals local suppression of spall failure (termed as spall-dominated) as a function of porosity, as the failure mechanism transitions from spall-centered tensile stress dominated to a pore-centered microstructure-dominated damage mode involving void/crack nucleation and growth at pre-existing pores. The critical porosity level where the suppression of spall failure is first observed, as well as the spall location, is dependent on both the volume fraction and the size of the initially fabricated pores. In samples of 500 μm pore size, the suppression of spall failure is observed with as little as 1 vol. % porosity, while samples with smaller pores (200 μm) still experience spall-centered tensile stress dominated failure with higher levels (5 vol. %) of porosity. In the case of pore-centered microstructure-dominated failure, spall damage can occur but the spall plane is shifted toward the rear free surface, or more generally in areas further away from the region with pores. Highly heterogeneous deformation twinning, shear banding, grain rotation, and cracking are observed in the vicinity of pre-existing pores and expected spall failure sites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Characterizing different motility-induced regimes in active matter with machine learning and noise

Here we examine motility-induced phase separation (MIPS) in two-dimensional run-and-tumble disk systems using both machine learning and noise fluctuation analysis. Our measures suggest that within the MIPS state there are several distinct regimes as a function of density and run time, so that systems with MIPS transitions exhibit an active fluid, an active crystal, and a critical regime. The different regimes can be detected by combining an order parameter extracted from principal component analysis with a cluster stability measurement. The principal component-derived order parameter is maximized in the critical regime, remains low in the active fluid, and has an intermediate value in the active crystal regime. We demonstrate that machine learning can better capture dynamical properties of the MIPS regimes compared to more standard structural measures such as the maximum cluster size. The different regimes can also be characterized via changes in the noise power of the fluctuations in the average speed. In the critical regime, the noise power passes through a maximum and has a broad spectrum with a 1/f 1.6 signature, similar to the noise observed near depinning transitions or for solids undergoing plastic deformation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Bio‐Based Piezo‐ and Thermoresistive Photocurable Sensing Materials from Acrylated Epoxidized Soybean Oil

Abstract Bio‐based photocurable polymers are increasingly in demand as environmentally friendly materials for advanced applications. Together with functional fillers, these represent a next step for the generation of functional and active smart materials, compatible with additive manufacturing technologies. Herein, acrylated epoxidized soybean oil (AESO) mixed with different amounts of reduced graphene oxide (rGO) up to 6 wt% in order to obtain UV‐curable piezoresistive and thermoresistive materials, is reported. It is shown that the addition of rGO to AESO hinders the curing process, but always maintains double bond conversions higher than 50%. Composites are characterized by a good dispersion of micrometric filler clusters. Further, the thermal stabilities are close to 300 °C and crosslinking degrees are above 1.75 mmol cm –3 . The Young modulus of the composites decreases with the addition of the rGO fillers, in particular for the higher filler contents, and electrical conductivities up to 0.13 S m –1 are obtained for the composites with the highest rGO content. UV‐curable composites with piezoresistive and thermoresistive responses suitable for applications are thus obtained, characterized by gauge factors around 26 for deformations up to 2% and maximum thermoresistive sensitivity of S = 0.43, values similar to the values obtained for petroleum‐based materials.

Mendes‐Felipe, Cristian↗
DOE OSTI2021

Pauli energy contribution to the nucleus-nucleus interaction

Background: The Pauli exclusion principle plays a crucial role as a building block of many-body quantal systems comprised of fermions. It also induces a “Pauli repulsion” in the interaction between di-nuclear systems. It has been shown in [Phys. Rev. C 95, 031601(R) (2017)] that the Pauli repulsion widens the nucleus-nucleus potential barrier, thus hindering sub-barrier fusion. Purpose: To investigate the proton and neutron contributions to the Pauli repulsion, both in the bare potential neglecting shape polarization and transfer between the reactants, as well as in the dynamical potential obtained by accounting for such dynamical rearrangements. Methods: As the basis of our study we utilize the Pauli kinetic energy (PKE) obtained by studying the nuclear localization function (NLF). Recently this approach has been generalized to incorporate all of the dynamical and time-odd terms present in the nuclear energy density functional. This approach is employed in the density constrained frozen Hartree-Fock (DCFHF) and in the density constrained time-dependent Hartree-Fock (DC- TDHF) microscopic methods. Results: The PKE spatial distribution shows that a repulsion occurs in the neck between the nuclei when they first touch. Inside the barrier, neutrons can contribute significantly more to the Pauli repulsion in neutron-rich systems. Dynamical effects tend to lower the Pauli repulsion near the barrier. Proton and neutron dynamical contributions to the PKE significantly differ inside the barrier for asymmetric collisions, which is interpreted as an effect of multinucleon transfer. Conclusions: The PKE is shown to make a significant contribution to nuclear interaction potentials. Protons and neutrons can play very different roles in both the bare potential and in the dynamical rearrangement. Further microscopic studies are required to better understand the role of transfer and to investigate the effect of pairing and deformation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Distributed Stochastic Optimization of a Neural Representation Network for Time-Space Tomography Reconstruction

4D time-space reconstruction of dynamic events or deforming objects using X-ray computed tomography (CT) is an important inverse problem in non-destructive evaluation. Conventional back-projection based reconstruction methods assume that the object remains static for the duration of several tens or hundreds of X-ray projection measurement images (reconstruction of consecutive limited-angle CT scans). However, this is an unrealistic assumption for many in-situ experiments that causes spurious artifacts and inaccurate morphological reconstructions of the object. To solve this problem, we propose to perform a 4D time-space reconstruction using a distributed implicit neural representation (DINR) network that is trained using a novel distributed stochastic training algorithm. Our DINR network learns to reconstruct the object at its output by iterative optimization of its network parameters such that the measured projection images best match the output of the CT forward measurement model. Here, we use a forward measurement model that is a function of the DINR outputs at a sparsely sampled set of continuous valued 4D object coordinates. Unlike previous neural representation architectures that forward and back propagate through dense voxel grids that sample the object's entire time-space coordinates, we only propagate through the DINR at a small subset of object coordinates in each iteration resulting in an order-of-magnitude reduction in memory and compute for training. DINR leverages distributed computation across several compute nodes and GPUs to produce high-fidelity 4D time-space reconstructions. We use both simulated parallel-beam and experimental cone-beam X-ray CT datasets to demonstrate the superior performance of our approach.

36 MATERIALS SCIENCE↗