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At least 37 records · Page 2

A Bayesian approach to time-domain photonic Doppler velocimetry analysis

Photonic Doppler velocimetry (PDV) is an established technique for measuring the velocities of fast-moving surfaces in high-energy-density experiments. In the standard approach to PDV analysis, the short-time Fourier transform (STFT) is used to generate a spectrogram from which the velocity history of the target is inferred. The user chooses the form, duration, and separation of the window function. Here, in this study, we present a Bayesian approach to infer the velocity directly from the PDV oscilloscope trace, without using the spectrogram for analysis. This is clearly a difficult inference problem due to the highly periodic nature of the data, but we find that with carefully chosen prior distributions for the model parameters, we can accurately recover the injected velocity from synthetic data. We validate this method using PDV data collected at the STAR two-stage light gas gun at Sandia National Laboratories, recovering shock-front velocities in quartz that are consistent with those inferred using the STFT-based approach and are interpolated across regions of low signal-to-noise data. Although this method does not rely on the same user choices as the STFT, we caution that it can be prone to misspecification if the chosen model is not sufficient to capture the velocity behavior. Analysis using posterior predictive checks can be used to establish whether a better model is required, although more complex models come with additional computational cost, often taking more than several hours to converge when sampling the Bayesian posterior. We, therefore, recommend it be viewed as a complementary method to that of the STFT-based approach.

Allison, James R. [First Light Fusion Ltd., Yarnto↗

Evaluating Pressure‐dependent Discharge Behavior of Foil Versus In situ Plated Lithium Metal Anodes in Solid‐State Batteries

Abstract Anode‐free manufacturing of solid‐state batteries (SSBs) shows promise to maximize energy density by eliminating excess lithium (Li) and simplifying battery production. However, high reversibility during discharge (stripping of Li) is necessary for long‐lifetime SSBs with a limited Li reservoir. Further, the plastic flow of Li changes depending on the Li thickness, leading to possible differences in discharge performance under stack pressure. This work investigates the pressure‐dependent discharge performance of anode‐free manufactured SSBs with in situ plated Li and compares the performance to that of conventional thick Li foil cells. Distinct stripping behavior is observed at low pressures (0–1 MPa), where Li diffusivity and initial interfacial contact may control accessible capacity, compared to high pressures (3–10 MPa) where mechanical deformation of Li likely governs stripping behavior. Analysis of impedance spectra collected during stripping shows that additional stack pressure delays the formation of deep, as opposed to lateral, voids in the Li anode. These results provide insights to guide the transition from thick Li foil anodes to anode‐free manufactured SSBs.

Haslam, Catherine G.↗

Anisotropic magnetocaloric effect and critical behavior in CrCl 3

We report anisotropic magnetocaloric effect and magnetic critical behavior in the van der Waals crystal CrCl 3 . The maximum magnetic entropy change $-ΔS^{max}_M ~ 14.6 J kg -1 K -1 and the relative cooling power RCP ~ 340.3 J kg -1 near T c with a magnetic field change of 5 T are much larger when compared to CrI 3 or CrBr 3 . The rescaled ΔS M (T, H) curves collapse onto a universal curve, confirming the second-order ferromagnetic transition. Finally, further critical behavior analysis around T c presents a set of critical exponents β = 0.28 (1) with T c = 19.4 (2) K, γ = 0.89 (1) with T c = 18.95 (8) K, and δ = 4.6 (1) at T c = 19 K , which are close to those of the theoretical tricritical mean-field model.

2-dimensional systems↗

Anisotropic magnetocaloric effect and critical behavior in CrSbSe3

In this work, we report anisotropic magnetocaloric effect and critical behavior in a quasi-one-dimensional ferromagnetic CrSbSe 3 single crystal. The maximum magnetic entropy change - Δ S M max is 2.16 J kg - 1 K - 1 for the easy a axis (2.03 J kg - 1 K - 1 for the hard b axis) and the relative cooling power RCP is 163.1 J kg - 1 for the easy a axis (142.1 J kg - 1 for the hard b axis) near T c with a magnetic field change of 50 kOe. The magnetocrystalline anisotropy constant K u is estimated to be 148.5 kJ m - 3 at 10 K, decreasing to 39.4 kJ m - 3 at 70 K. The rescaled Δ S M ( T , H ) curves along all three axes collapse onto a universal curve, respectively, confirming the second-order ferromagnetic transition. Further critical behavior analysis around T c ~ 70 K gives that the critical exponents β = 0.26 ( 1 ) , γ = 1.32 ( 2 ) , and δ = 6.17 ( 9 ) for H ∥ a , while β = 0.28 ( 2 ) , γ = 1.02 ( 1 ) , and δ = 4.14 ( 16 ) for H ∥ b . The determined critical exponents suggest that the anisotropic magnetic coupling in CrSbSe 3 is strongly dependent on orientations of the applied magnetic field.

2-dimensional systems↗

Three-dimensional Ising ferrimagnetism of Cr-Fe-Cr trimers in FeCr2Te4

We carried out a comprehensive study of magnetic critical behavior in single crystals of ternary chalcogenide Fe Cr 2 Te 4 that undergoes a ferrimagnetic transition below T c ~ 123 K. Detailed critical behavior analysis and scaled magnetic entropy change indicate a second-order ferrimagnetic transition. Critical exponents β = 0.30 ( 1 ) with T c = 122.4 ( 5 ) K , γ = 1.22 ( 1 ) with T c = 122.8 ( 1 ) K , and δ = 4.24 ( 2 ) at T c ~ 123 K suggest that the spins approach the three-dimensional Ising ( β = 0.325 , γ = 1.24 , and δ = 4.82 ) model coupled with attractive long-range interactions between spins that decay as J ( r ) ≈ r - 4.88 . Our results suggest that the ferrimagnetism in Fe Cr 2 Te 4 is due to itinerant ferromagnetism among the antiferromagnetically coupled Cr-Fe-Cr trimers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Single crystal growth and thermoelectric properties of Nowotny chimney-ladder compound Fe 2 Ge 3

Fe 2 Ge 3 with an incommensurate Nowotny chimney-ladder (NCL) structure is a promising material for thermoelectric applications due to its low thermal conductivity. Previous experimental studies on Fe 2 Ge 3 have mainly focused on polycrystalline samples, resulting in a limited understanding of the material's intrinsic thermoelectric properties and the underlying causes of its low thermal conductivity. Here we report the synthesis and thermoelectric properties of single crystalline Fe 2 Ge 3 . Millimeter-sized Fe 2 Ge 3 single crystals grown by the chemical vapor transport method enable the study of the intrinsic thermoelectric properties. The Seebeck coefficient of Fe 2 Ge 3 is negative and its magnitude increases linearly with temperature, showing a degenerate n-type semiconductor behavior. Analysis of the electrical resistivity and specific heat data indicates the existence of an Einstein mode with a characteristic temperature of about 60 K, suggesting the presence of low-energy optical phonons. Further, the thermal conductivity of Fe 2 Ge 3 along the c axis is as low as 1.9Wm -1 K -1 at 300 K and exhibits a nearly temperature-independent characteristic, which is distinct from the previous theoretical calculations with a stronger temperature dependence. The low thermal conductivity may be attributed to the scattering of acoustic phonons by low-energy optical modes and the presence of non-extended diffuson modes, as reported in another NCL compound, MnSi 1.74 . This study provides valuable insights into the electrical and thermal properties of Fe 2 Ge 3 , which can open up possibilities for future advances in thermoelectric applications.

36 MATERIALS SCIENCE↗

Identifying Light-Duty Vehicle Travel from Large-Scale Multimodal Wearable GPS Data with Novelty Detection Algorithms

Identifying travel mode within travel survey data sets, especially light-duty vehicle (LDV) travel, is foundational, though nontrivial, to travel behavior analysis and fuel consumption estimation. Current travel mode detection approaches require well-sampled and balanced data sets with ground truth travel mode labels. They are rarely applied and validated on large-scale, real-world data sets, which may not satisfy the data requirements. This paper proposes an LDV travel mode detection model as a supplement to current travel mode detection methods, for the case when the training set is highly (and/or completely) unbalanced, to the extent that classical machine-learning approaches become difficult or impossible to deploy. The proposed model uses a novelty detection technique-one-class support vector machines (OCSVMs)-and a novel exhaustive feature extraction (EFE) technique on continuous time series data (i.e., Global Positioning System [GPS] speed profiles) for single-mode trip trajectories. Training and validation of the model are conducted on a large-scale, real-world data set. The proposed method accurately identifies LDV trips from a broad set of multimodal trips by leveraging a wealth of preexisting in-vehicle GPS travel data. Additional sensitivity analysis sheds light on the optimal training size, which will benefit applications limited by highly imbalanced data. The paper also discusses performance comparison with regular machine-learning approaches, the model's robustness, and the potential to extend the proposed model to multimodal prediction.

47 OTHER INSTRUMENTATION↗

Light-Duty Vehicle Trip Classification Using One-Class Novelty Detection and Exhaustive Feature Extraction

Travel mode classification within travel survey data sets, especially light-duty vehicle (LDV) trips, is foundational, though nontrivial, to emerging mobility systems, travel behavior analysis, and fuel consumption estimation. Current travel mode detection approaches require well-sampled and balanced data sets with ground truth travel mode labels. The detection approaches are rarely applied and validated on large-scale, real-world data sets, which may not satisfy the dataset requirements. This work proposes an LDV trip detection model as a supplement to current travel mode detection methods, for the case when the training set is highly (and/or completely) unbalanced, to the extent that classical machine-learning approaches become difficult or impossible to deploy. The proposed model uses a novelty detection technique - one-class support vector machines (OCSVMs) - and a novel exhaustive feature extraction (EFE) technique on continuous time series data (i.e., Global Positioning System [GPS] speed profiles) for single-mode trip trajectories. Training and validation of the model are conducted on a large-scale, real-world data set. The proposed method accurately identifies LDV trips from a broad set of multimodal trips by leveraging a wealth of preexisting in-vehicle GPS travel data. Additional sensitivity analysis sheds light on the optimal training size and feature selection, which will benefit applications limited by highly imbalanced data. The paper also discusses performance comparison with regular machine-learning approaches, the model's robustness, and the potential to extend the proposed model to multi-modal trip prediction.

33 ADVANCED PROPULSION SYSTEMS↗

Real-time well integrity monitoring in underground gas storage wells using distributed temperature and strain sensing: a field demonstration

Here, this article presents the first successful field demonstration of a combined distributed temperature and strain sensing (DTSS) system installed directly on newly replaced tubing in a 5400-ft-deep operational underground gas storage well. The DTSS system uses a single optical fiber to monitor temperature and strain in real-time, providing a cost-effective solution for long-term well integrity assessment. In this study, the strain–stress correlation of the tubing—representative of material behavior analysis—is investigated as a potential method for monitoring tubing integrity throughout its lifetime. Moreover, the DTSS system’s capability to support both continuous and discrete monitoring is evaluated by comparing future data with historical records, enabling the early detection of issues such as material fatigue, corrosion, or deformation. Overall, the work examines the effectiveness and scalability of the DTSS system for real-time monitoring of well operations and integrity in a newly replaced well.

Distributed Strain Sensing↗

Gradient-Based Novelty Detection Boosted by Self-Supervised Binary Classification

Novelty detection aims to automatically identify out-of-distribution (OOD) data, without any prior knowledge of them. It is a critical step in data monitoring, behavior analysis and other applications, helping enable continual learning in the field. Conventional methods of OOD detection perform multi-variate analysis on an ensemble of data or features, and usually resort to the supervision with OOD data to improve the accuracy. In reality, such supervision is impractical as one cannot anticipate the anomalous data. In this paper, we propose a novel, self-supervised approach that does not rely on any pre-defined OOD data: (1) The new method evaluates the Mahalanobis distance of the gradients between the in-distribution and OOD data. (2) It is assisted by a self-supervised binary classifier to guide the label selection to generate the gradients, and maximize the Mahalanobis distance. In the evaluation with multiple datasets, such as CIFAR-10, CIFAR-100, SVHN and TinyImageNet, the proposed approach consistently outperforms state-of-the-art supervised and unsupervised methods in the area under the receiver operating characteristic (AUROC) and area under the precision-recall curve (AUPR) metrics. We further demonstrate that this detector is able to accurately learn one OOD class in continual learning.

Sun, Jingbo↗

Vulnerabilities in Artificial Intelligence and Machine Learning Applications and Data

Artificial intelligence (AI) applications driven by machine learning (ML) are transformational technologies within the international nuclear security regime. Advancements realized by AI—faster and improved data insights, more efficient and automated processes, reductions in human error—enable nuclear security applications such as behavior analysis for insider threat mitigation, source tracking of stolen nuclear material, and facial recognition software for physical protection. In addition to the advantages, however, there are also inherent vulnerabilities and threats associated with its use and risk mitigations must be built into any AI/ML-enabled systems. This work provides a background on AI and ML and different data types used in the field, including open-source intelligence information (OSINT) that is discoverable by AI tools and application data that are used by AI tools for decision-making and automation. Current and potential AI applications and vulnerabilities related to their use within the nuclear security regime are also discussed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Modal analysis of the behavior of inertial particles in turbulence subjected to Stokes drag

The clustering of small heavy inertial particles subjected to Stokes drag in turbulence, which is the concern of present study, is known to be minimal at small and large Stokes number and substantial at St = $\textit{O}$(1). This nonmonotonic trend, which has been shown computationally and experimentally, is yet to be explained analytically. In this study, we obtain an analytical expression for the Lyapunov exponents that quantitatively predicts this trend. The sum of the exponents, which is the normalized rate of change of the signed volume of a small cloud of particles, is correctly predicted to be negative and positive at small and large Stokes numbers, respectively, asymptoting to $\textit{τQ}$ as $\textit{τ}$ → 0 and $τ^{–1/2}|Q|^{1/4}$ as $\textit{τ} → ∞$, where $\textit{τ}$ is the particle relaxation time and $\textit{Q(τ)}$ is the difference between the norm of the rotation- and strain-rate tensors computed along the particle trajectory, which remains negative at all $\textit{τ}$ in turbulent flows. Additionally, the trajectory crossing is predicted only in hyperbolic flows where Q < 0 for sufficiently inertial particles with a $\textit{τ}$ that scales with $|Q|^{–1/2}$. Following the onset of crossovers, a transition from clustering to dispersion is predicted correctly. We show these behaviors are not unique to three-dimensional isotropic turbulence and can be reproduced closely by a one-dimensional mono-harmonic flow, which appears as a fundamental canonical problem in the study of particle clustering. Analysis of this one-dimensional canonical flow shows that the rate of clustering, quantified as the product of the Lyapunov exponent and particle relaxation time, is bounded by –1/2, behaving with extreme nonlinearity in the hyperbolic flows and always remaining positive in the elliptic flows. Finally, this model problem also confirms that dispersion in a hyperbolic flow will occur only if particles' trajectory cross. These findings, which stem from our analysis, are corroborated by the direct numerical simulations.

42 ENGINEERING↗

Impacts of hydrogen bonding interactions with Np(v/vi)O 2 Cl 4 complexes: vibrational spectroscopy, redox behavior, and computational analysis

The neptunyl (Np(V)O 2 + /Np(VI)O 2 2+ ) cation is the dominant form of 237 Np in acidic aqueous solutions and the stability of the Np(V) and Np(VI) species is driven by the specific chemical constituents present in the system. Hydrogen bonding with the oxo group may impact the stability of these species, but there is limited understanding of how these intermolecular interactions influence the behavior of both solution and solid-state species. In the current study, we systematically evaluate the interactions between the neptunyl tetrachloride species and hydrogen donors in coordination complexes and in the related aqueous solutions. Both Np(V) compounds (N 2 C 4 H 12 ) 2 [Np(V)O 2 Cl 4 ]Cl (Np(V)pipz) and (NOC 4 H 10 ) 3 [Np(V)O 2 Cl 4 ] (Np(V)morph) exhibit directional hydrogen bonding to the neptunyl oxo group while Np(VI) compounds (NC 5 H 6 ) 2 [Np(VI)O 2 Cl 4 ] (Np(VI)pyr) and (NOC 4 H 10 ) 4 [Np(VI)O 2 Cl 4 ]·2Cl (Np(VI)morph) assemble via halogen interactions. Here, the Raman spectra of the solid-state phases indicate the activation of vibrational bands when there is asymmetry of the neptunyl bond, while these spectral features are not observed within the related solution phase spectra. Density functional theory calculations of the Np(V)pipz system suggest that activation of the ν 3 asymmetric stretch and other combination modes lead to additional complexity within the solid-state spectra. Electrochemical analyses of complexes in the solution phases are consistent with the results of the crystallization experiments as the voltammetric potentials of Np(V)/Np(VI) complexes in the presence of protonated heterocycles differ from the potentials of pure Np(V) and may correlate with the hydrogen bonding interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multidimensional quantitative phenotypic and molecular analysis reveals neomorphic behaviors of p53 missense mutants

Abstract Mutations in the TP53 tumor suppressor gene occur in >80% of the triple-negative or basal-like breast cancer. To test whether neomorphic functions of specific TP53 missense mutations contribute to phenotypic heterogeneity, we characterized phenotypes of non-transformed MCF10A-derived cell lines expressing the ten most common missense mutant p53 proteins and observed a wide spectrum of phenotypic changes in cell survival, resistance to apoptosis and anoikis, cell migration, invasion and 3D mammosphere architecture. The p53 mutants R248W, R273C, R248Q, and Y220C are the most aggressive while G245S and Y234C are the least, which correlates with survival rates of basal-like breast cancer patients. Interestingly, a crucial amino acid difference at one position—R273C vs. R273H—has drastic changes on cellular phenotype. RNA-Seq and ChIP-Seq analyses show distinct DNA binding properties of different p53 mutants, yielding heterogeneous transcriptomics profiles, and MD simulation provided structural basis of differential DNA binding of different p53 mutants. Integrative statistical and machine-learning-based pathway analysis on gene expression profiles with phenotype vectors across the mutant cell lines identifies quantitative association of multiple pathways including the Hippo/YAP/TAZ pathway with phenotypic aggressiveness. Further, comparative analyses of large transcriptomics datasets on breast cancer cell lines and tumors suggest that dysregulation of the Hippo/YAP/TAZ pathway plays a key role in driving the cellular phenotypes towards basal-like in the presence of more aggressive p53 mutants. Overall, our study describes distinct gain-of-function impacts on protein functions, transcriptional profiles, and cellular behaviors of different p53 missense mutants, which contribute to clinical phenotypic heterogeneity of triple-negative breast tumors.

60 APPLIED LIFE SCIENCES↗

Analysis of Dynamic Behavior of the Target and the Deuterium-Tritium Ice in Magnetic-Field Assisted Implosions

The use of strong magnetic fields to augment the output energy of inertial confinement fusion experiments at the National Ignition Facility is of high interest. It offers the potential of reducing electron thermal conduction and increasing hot-spot alpha heating with little to no change in hohlraum behavior. In these magnetically assisted ignition experiments, the ultimate goal is to add a B-field in the form of a pulse ranging from 25 to 60 T to a high-performing hohlraum implosion several microseconds before impingement of the laser beams. This requires eliminating metallic components in the target and replacing them with electrically nonconducting materials. However, the strong eddy currents generated by the rapidly increasing high B-field, which were calculated to be as high as 2000 K, can heat the hohlraum. Here in this paper, we examine the transient effects of this rapid temperature change on the behavior of the target as well as the fuel layer composed typically of deuterium and tritium. Using simulations and calculations for limiting case scenarios, we find that the effect of the heating is not restrictive toward the performance of the target or the quality of the deuterium-tritium ice.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analysis of Control Behavior in Eco-Driving Speed Optimization Using Pontryagin’s Minimum Principle

The energy efficiency of autonomous vehicles can be improved by selecting an optimized speed profile. Energy savings can be maximized by performing control optimization with knowledge of the powertrain characteristics and future driving conditions. Previous studies have shown that Pontryagin’s minimum principle (PMP) performs well in vehicle speed optimization problems. Building on the methods proposed in previous studies, the contribution of this study is to derive meaningful observations from the concepts and results of PMP to enhance the understanding of the control problem. In particular, the switching behavior of the control mode is analyzed with supportive variables, such as ξ and mv, which dictates the changes in the control modes. Additionally, the existence of the singular control is analyzed, which helps in understanding the cruise driving in the control problem. Finally, we obtain several solutions that satisfy various boundary conditions along with a map of the reachable states, and discuss the impact of cruise driving. This is helpful for designing practical control concepts for real-world applications based on this map. Previous studies have contributed significantly to this control problem; however, this study provides a better understanding of the issue and offers guidance and inspiration for future real-world applications based on these meaningful observations.

33 ADVANCED PROPULSION SYSTEMS↗