Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sample entropy”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Adaptive Stress Testing of Trajectory Predictions in Flight Management Systems

To find failure events and their likelihoods in flight-critical systems, we investigate the use of an advanced black-box stress testing approach called adaptive stress testing. We analyze a trajectory predictor from a developmental commercial flight management system which takes as input a collection of lateral waypoints and en-route environmental conditions. Our aim is to search for failure events relating to inconsistencies in the predicted lateral trajectories. The intention of this work is to find likely failures and report them back to the developers so they can address and potentially resolve shortcomings of the system before deployment. To improve search performance, this work extends the adaptive stress testing formulation to be applied more generally to sequential decision-making problems with episodic reward by collecting the state transitions during the search and evaluating at the end of the simulated rollout. We use a modified Monte Carlo tree search algorithm with progressive widening as our adversarial reinforcement learner. The performance is compared to direct Monte Carlo simulations and to the cross-entropy method as an alternative importance sampling baseline. The goal is to find potential problems otherwise not found by traditional requirements-based testing. Results indicate that our adaptive stress testing approach finds more failures and finds failures with higher likelihood relative to the baseline approaches.

adaptive stress testing↗
DOE OSTI2014

MULTI-SCALE MODELING AND APPROXIMATION ASSISTED OPTIMIZATION OF BARE TUBE HEAT EXCHANGERS

Air-to-refrigerant heat exchangers are very common in air-conditioning, heat pump and refrigeration applications. In these heat exchangers, there is a great benefit in terms of size, weight, refrigerant charge and heat transfer coefficient, by moving from conventional channel sizes (~ 9mm) to smaller channel sizes (< 5mm). This work investigates new designs for air-to-refrigerant heat exchangers with tube outer diameter ranging from 0.5 to 2.0mm. The goal of this research is to develop and optimize the design of these heat exchangers and compare their performance with existing state of the art designs. The air-side performance of various tube bundle configurations are analyzed using a Parallel Parameterized CFD (PPCFD) technique. PPCFD allows for fast-parametric CFD analyses of various geometries with topology change. Approximation techniques drastically reduce the number of CFD evaluations required during optimization. Maximum Entropy Design method is used for sampling and Kriging method is used for metamodeling. Metamodels are developed for the air-side heat transfer coefficients and pressure drop as a function of tube-bundle dimensions and air velocity. The metamodels are then integrated with an air-to-refrigerant heat exchanger design code. This integration allows a multi-scale analysis of air-side performance heat exchangers including air-to-refrigerant heat transfer and phase change. Overall optimization is carried out using a multi-objective genetic algorithm. The optimal designs found can exhibit 50 percent size reduction, 75 percent decrease in air side pressure drop and doubled air heat transfer coefficients compared to a high performance compact micro channel heat exchanger with same capacity and flow rates.

CFD↗
DOE OSTI2015

Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which is often performed using quasi-harmonic or histogram analysis. An entirely different approach, proposed recently, estimates local density distribution around each conformational sample by measuring the distance from its nearest neighbors. In this work we show this theoretically well grounded the method can be easily applied to estimate the entropy from conformational sampling. We consider a set of systems that are representative of important biomolecular processes. In particular: i. reference entropies for amino acids in unfolded proteins are obtained from a database of residues not participating in secondary structure elements; ii. the conformational entropy of folding of β 2-microglobulin is computed from molecular dynamics simulations using reference entropies for the unfolded state; iii. backbone conformational entropy is computed from molecular dynamics simulations of four different states of the EPAC protein and compared with order parameters (often used as a measure of entropy); iv. the conformational and rototranslational entropy of binding is computed from simulations of 20 tripeptides bound to the peptide binding protein OppA and of β 2-microglobulin bound to a citrate coated gold surface. This work shows the potential of the method in the most representative biological processes involving proteins, and provides a valuable alternative, principally in the shown cases, where other approaches are problematic.

Science & Technology - Other Topics↗
DOE OSTI2023

Borderline first-order phase transition and large cryogenic magnetocaloric effect in PrNdIn

We report a large cryogenic magnetocaloric effect stemming from an unconventional borderline first-order magnetic phase transition with negligibly small thermomagnetic hysteresis in a rare-earth-based intermetallic compound PrNdIn. The sample exhibits maximum magnetic field-induced entropy change as large as –10 J/Kg K (for 20 kOe magnetic field change) near the boiling point of oxygen. Magnetocaloric properties of PrNdIn are comparable to those of other known potential magnetocaloric materials with operating temperatures ranging between 50 and 125 K. Here, the magnetic properties of the present sample are qualitatively reminiscent of those of the binary Pr 2 In and Nd 2 In, including the emergence of a second low-temperature anomaly in the temperature dependence of magnetization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Constraints on Nonthermal Pressure at Galaxy Cluster Outskirts from a Joint SPT and XMM-Newton Analysis

We present joint South Pole Telescope and XMM-Newton observations of eight massive galaxy clusters (0.8–2 × 10$^{15}$ M$_{⊙}$) spanning a redshift range of 0.16–0.35. Employing a novel Sunyaev–Zel’dovich + X-ray fitting technique, we effectively constrain the thermodynamic properties of these clusters out to the virial radius. The resulting best-fit electron density, deprojected temperature, and deprojected pressure profiles are in good agreement with previous observations of massive clusters. For the majority of the cluster sample (five out of eight clusters), the entropy profiles exhibit a self-similar behavior near the virial radius. We further derive hydrostatic mass, gas mass, and gas fraction profiles for all clusters up to the virial radius. Comparing the enclosed gas fraction profiles with the universal gas fraction profile, we obtain nonthermal pressure fraction profiles for our cluster sample at >0.5R$_{500}$, demonstrating a steeper increase between R$_{500}$ and R$_{200}$ that is consistent with the hydrodynamical simulations. Our analysis yields nonthermal pressure fraction ranges of 8%–28% (median: 15% ± 11%) at R$_{500}$ and 21%–35% (median: 27% ± 12%) at R$_{200}$. Notably, weak-lensing mass measurements are available for only four clusters in our sample, and our recovered total cluster masses, after accounting for nonthermal pressure, are consistent with these measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Effect of substitution of In for Co on magnetostructural coupling and magnetocaloric effect in MnCo{sub 1-x}In{sub x}Ge compounds

Effect of replacement of Co by In with larger atomic radius but fewer valence numbers on magnetostructural coupling and magnetocaloric effect is studied in MnCo{sub 1-x}In{sub x}Ge compounds. The substitution of Co by a small amount of In (1.5%–2%) can shift martensitic transformation T{sub stru} to lower temperature and make it overlap with Curie temperature T{sub C}. As a result, magnetostructural coupling is created and large entropy change (ΔS) takes place. Further increasing In content to x = 0.03 leads to decoupling, but the martensitic transition (T{sub stru} ∼ 249 K) is still close to the magnetic transition (T{sub c}{sup A} ∼ 269 K). As a result, two close ΔS peaks appear. Mechanism related to different large entropy change in the coupled and decoupled samples are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Does Collection Time Bias the Ecology of Cleanroom Air Samples?

Microbial monitoring of astromaterials collections has taken on increased importance with the return of biologically sensitive samples from the asteroids Ryugu and Bennu and the initiation of the Mars Sample Return Program. Terrestrial bacteria and fungi can alter the mineralogy and organic composition of our collections causing irreversible contamination of pristine samples and increasing the risk of false positives for life detection measurements. NASA has conducted routine microbial monitoring of its existing collections since 20181. Initial monitoring focused on surface samples collected with foam swabs. Although, airborne microbiology is often decoupled from surface microbiology in the built environment2 culture-based air sampling techniques like impactors were not compliant with existing contamination control requirements. Bringing organic rich media, gelatin or liquids into curation cleanrooms presents an unacceptable risk to pristine samples. In 2022 NASA purchased a materials complaint air sampler and began collecting air samples from the cleanrooms in addition to surface samples3. The new instrument uses an electret filter to collect samples that are suitable for cultivating organisms or for direct DNA sequencing. Preliminary DNA sequencing results appeared to indicate that longer sampling times biased the microbial community in favor of hearty, spore-forming bacteria3. We present the results of a study comparing overnight sampling (17 hours) to short (1 hour) sampling of unoccupied curation cleanrooms. The results will help us optimize our monitoring protocols and develop a more detailed inventory of the ecology of astromaterials curation cleanrooms. Methods: We analyzed 72 paired air samples from six different cleanrooms including the meteorite processing lab (ISO 7 equivalent, 16 samples), the lunar lab (ISO 6 equivalent, 10 samples), the stardust lab (ISO 5 equivalent 14 samples), the OSIRIS-REx lab (ISO 5 equivalent, 12 samples), the Hayabusa2 lab (ISO 5 equivalent, 14 samples), and the Genesis lab (ISO 4 equivalent, 6 samples). All the samples were collected with an InnovaPrep Bobcat air sampler operating at a sampling rate of 200 L/min. The sampler operates for 5 minutes out of every 20 minute period. Half of the samples were collected by filtering 3,000L (15 min. of active sampling) of air across an electret filter for one hour. The rest of the samples were collected by filtering approximately 51,000 L air across the filter overnight (~17 hours, 255 min. of active sampling). Cells were eluted from the filter using 6-7 ml of pressurized 0.15% tween 20 in PBS (phosphate buffered saline). This liquid was used to cultivate bacteria according to previously published methods1,4,5 and for DNA extraction and next generation sequencing. DNA was extracted with a Qiagen MagAttract PowerMicrobiome kit6. To identify bacteria and archaea, the 16S rRNA gene was amplified using Earth Microbiome primers for the V4 region 7. The amplified DNA was sequenced on an Illumina MiSeq using a V3 reagent kit. The resulting sequences were processed using DADA2 and QIIME2 as implemented on the EDGE bioinformatics platform8–10. Results: Only two of the 72 samples had no amplifiable DNA. Amplified DNA concentrations ranged from 2.67 – 0.272 ng/µl. The median concentration of amplified DNA for the 1 hour samples was 0.770 ± 0.368 ng/µl. The median concentration of amplified DNA for the overnight samples was 0.877 ± 0.434 ng/µl. On average the overnight samples had slightly more sequences (58,960 vs. 59,456) and ASV’s (amplicon sequence variants) (60 vs 64.5) than the one hour samples, but these differences are not statistically significant. The most abundant ASV in every sample mapped to the genus Cupravidus. ASV’s mapping to the genuses Bacillus, Schlegelella, Thermus, and Staphylococcus were also common. Discussion and Future Work: Alpha diversity statistics like Shannon Entropy and Faith Phylogenetic Diversity are used to describe the diversity of organisms in a single sample. If a longer sampling time was biasing the data, we would expect to see a change in these diversity statistics vs. sample time. However, we did not observe this in our data. The median Shannon entropy was slightly higher for the overnight samples (3.773 vs 3.611) as was the Faith Phylogenetic Diversity (4.042 vs 3.596), but both values were within a standard deviation of each other for the two sampling times (Fig. 1). It is unlikely, that the longer sampling time is introducing bias into our data. We do observe a significant decrease in diversity when comparing the air samples by lab. The Genesis lab (ISO 4 equivalent) has a lower median number of ASV’s (45.5) than the other labs (62). Median values for Shannon Entropy (3.717 vs. 3.430) and Faith Phylogenetic Diversity (3.796 vs. 3.548) are also lower for Genesis, but those values are with one standard deviation of each other for the different sampling times. This is consistent with previous culture-based results suggesting that the environment in cleanrooms tends to select for a core group of organisms capable of surviving under dry, low nutrient, conditions. The presence of the ASV’s mapping to Cupravidus and Thermus in our sequencing blanks and controls suggests that several of the most common organisms in our samples represent contaminants from the reagents used to perform the DNA extractions and sequencing. Further work is needed to identify these contaminants, remove them from our data and recalculate the diversity statistics. This is a systematic error. Therefore, we do not expect removing the sequencing contaminants to change our conclusions. Longer air sample collection times appear to result in slightly higher diversity and do not bias the results towards “hardy” bacteria like spore-formers. Based on these preliminary results we conclude that sampling at least 3,000 liters of air is sufficient to capture the microbial diversity of cleanrooms, and that air samples can also be collected overnight without negatively impacting diversity. These results allow us to be flexible when designing microbial monitoring plans so that they do not interfere with routine lab activity. References: 1. Regberg, A. B. et al. 49th Lunar and Planetary Science Conference (2018). 2. The United States Pharmacopeial Convention. USP General Chapter <1116> (2013). 3. Regberg, A. B., et al. 54th Lunar and Planetary Science Conference (2023). 4. Regberg, A. B. et al. 53rd Lunar and Planetary Science Conference ( 2022). 5. Davis, R. E.,et al. 50th Lunar and Planetary Science Conference (2019). 6. Qiagen. MagAttract® PowerMicrobiome® DNA/RNA EP Kit Handbook. (2018). 7. Walters, W. et al. mSystems 1, (2015). 8. Callahan, B. J. et al. Nat. Methods 13, 581–583 (2016). 9. Hall, M. & Beiko, R. G. Microbiome Analysis: Methods and Protocols113–129 (Springer, 2018). 10. Philipson, C. et al. Bio-Protoc. 7, e2622 (2017).

A. B. Regberg↗
DOE OSTI2023

Simulating lossy Gaussian boson sampling with matrix-product operators

Gaussian boson sampling, a computational model that is widely believed to admit quantum supremacy, has already been experimentally demonstrated and is claimed to surpass the classical simulation capabilities of even the most powerful supercomputers today. However, whether the current approach limited by photon loss and noise in such experiments prescribes a scalable path to quantum advantage is an open question. Here, to understand the effect of photon loss on the scalability of Gaussian boson sampling, we analytically derive the asymptotic operator entanglement entropy scaling, which relates to the simulation complexity. As a result, we observe that efficient tensor network simulations are likely possible under the N out ∝ √N scaling of the number of surviving photons N out in the number of input photons N. We numerically verify this result using a tensor network algorithm with U⁡(1) symmetry, and we overcome previous challenges due to the large local Hilbert-space dimensions in Gaussian boson sampling with hardware acceleration. Additionally, we observe that increasing the photon number through larger squeezing does not increase the entanglement entropy significantly. Finally, we numerically find the bond dimension necessary for fixed accuracy simulations, providing more direct evidence for the complexity of tensor networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Effect of structural disorder on the magnetocaloric properties of Ni-Mn-Sn alloy

The magnetic and magnetocaloric properties of Ni{sub 50}Mn{sub 36.5}Sn{sub 13.5} Heusler alloy has been studied by varying the duration of annealing (0, 6, 12, 18, and 24 h) at 1173 K. The atomic ordering increases, martensitic transition (MT) becomes sharper and exchange bias field increases with increasing annealing time. The sample annealed for 24 h has shown a large magnetic entropy change (ΔS{sub M}) near its MT. But, the net refrigerant capacity at the MT of 12 h annealed sample is larger than the former one. We have discussed these results in the context of structural disorder and the ferro/antiferro correlations present in these alloy systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Effects of doping, hydrostatic pressure, and thermal quenching on the phase transitions and magnetocaloric properties in Mn 1– x Co x NiGe

The effects of doping, hydrostatic pressure, and thermal quenching on the phase transitions and magnetocaloric properties of the Mn 1–x Co x NiGe system have been investigated. Cobalt doping on the Mn site shifted the martensitic structural transition toward lower temperature until it was ultimately absent, leaving only a magnetic transition from a ferromagnetic (FM) to a paramagnetic (PM) state in the high-temperature hexagonal phase. Co-occurrence of the magnetic and structural transitions to form a first-order magnetostructural transition (MST) from the FM orthorhombic to the PM hexagonal phase was observed in samples with 0.05 < x < 0.20. An additional antiferromagnetic–ferromagnetic-like transition was observed in the martensite phase for 0.05 < x < 0.10, which gradually vanished with increasing Co concentration (x > 0.10) or magnetic field (H > 0.5 T). The application of external hydrostatic pressure shifted the structural transition to lower temperature until an MST was formed in samples with x = 0.03 and 0.05, inducing large magnetic entropy changes up to –80.3 J kg –1 K –1 (x = 0.03) for a 7-T field change under 10.6-kbar pressure. Similar to the effects of the application of hydrostatic pressure, an MST was formed near room temperature in the sample with x = 0.03 by annealing at high temperature (1200 °C) followed by quenching, resulting in a large magnetic entropy change of –56.2 J kg –1 K –1 . Furthermore, these experimental results show that the application of pressure and thermal quenching, in addition to compositional variations, are effective methods to create magnetostructural transitions in the MnNiGe system, resulting in large magnetocaloric effects.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Pressure induced irreversible phase transformation in an ordered high-entropy alloy

We report on a pressure induced irreversible phase transformation in an ordered eutectic high-entropy alloy (EHEA) AlCoCrFeNi2.1. The suction cast sample was synthesized by arc melting of raw elements resulting in an ordered B2 and FCC phase mixture for eutectic AlCoCrFeNi2.1 alloy. This phase mixture was confirmed by transmission electron microscopy (TEM) where superlattice reflections corresponding to ordered B2 phase were observed while the FCC phase remains disordered. The B2 phase was observed to be enriched in Nickel and Aluminum while the surrounding FCC phase is enriched in Fe, Cr and Co. The suction-cast EHEA sample was studied by X-ray diffraction under high pressure in a diamond anvil cell with platinum pressure marker to 73 GPa at ambient temperature. The B2 to FCC phase transformation is completed by 3 GPa in sharp contrast to BCC to FCC phase transition of 21 GPa in additively manufactured EHEA samples. The X-ray diffraction and TEM studies of pressure recovered samples show presence of only FCC grains without any specific orientation with respect to starting sample. These results are consistent with molecular dynamics simulations that the presence of B2 phase aids in the formation of the B2 to FCC phase transition under high pressures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Magnetocaloric properties of Eu{sub 1−x}La{sub x}TiO{sub 3} (0.01 ≤ x ≤ 0.2) for cryogenic magnetic cooling

We report magnetic and magnetocaloric (MCE) properties of polycrystalline Eu{sub 1−x}La{sub x}TiO{sub 3} samples over a wide composition range (0.01 ≤ x ≤ 0.20). It is found that the ground state changes from antiferromagnetic for x = 0.01 (T{sub N} = 5.2 K) to ferromagnetic for x ≥ 0.03 and the ferromagnetic Curie temperature increases from T{sub C} = 5.7 K for x = 0.03 to T{sub C} = 7.9 K for x = 0.20. The x = 0.01 sample shows a large reversible isothermal magnetic entropy change of −ΔS{sub m} = 23 (41.5) J/kg K and adiabatic temperature change of ΔT{sub ad} = 9 (17.2) K around 6.7 K for a field change of μ{sub 0}ΔH = 2 (5) Tesla. Although the peak value of −ΔS{sub m} decreases as La content increases, it is impressive in x = 0.2(−ΔS{sub m} = 31.41 J/kg K at T = 7.5 K for μ{sub 0}ΔH = 5 T). The large value of MCE arises from suppression of the spin entropy associated with the localized moment (J = 7/2) of Eu{sup 2+}:4f{sup 7} ions. This large MCE over a wide compositional range suggests that the Eu{sub 1−x}La{sub x}TiO{sub 3} series could be useful for magnetic cooling below 40 K.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Barocaloric and magnetocaloric effects in (MnNiSi) 1- x (FeCoGe) x

(MnNiSi) 1-x (FeCoGe) x undergoes a magnetostructural phase transition near room temperature that is acutely sensitive to applied hydrostatic pressure, which presents as a marked shift in the martensitic transition temperature (T M ) by about –7.5 K/kbar. The magnetostructural transition can therefore be induced by applied hydrostatic pressure or by magnetic field. The barocaloric and magnetocaloric effects were measured across T M (for the sample with x = 0.38), and the corresponding entropy changes were +74 J/kg K (P = 2.7 kbar) and –58 J/kg K (μ 0 H = 5 T), respectively. It was observed here that the transition entropy change increases with pressure, which results in an enhancement of the barocaloric effect. Our measurements show that the transformed phase fraction associated with magnetostructural transition does not depend on pressure and, therefore, this enhancement cannot be attributed to a pressure-assisted completion of the phase transformation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Impact of stoichiometry of Yb 2 Ti 2 O 7 on its physical properties

A series of ${\mathrm{Yb}}_{2+x}{\mathrm{Ti}}_{2{-}x}{\mathrm{O}}_{7{-}{\delta}}$ doped samples demonstrates the effects of off-stoichiometry on ${\mathrm{Yb}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$'s structure, properties, and magnetic ground state via x-ray diffraction, specific heat, and magnetization measurements. A stoichiometric single crystal of ${\mathrm{Yb}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$ grown by the traveling solvent floating zone technique (solvent = 30 wt % rutile ${\mathrm{TiO}}_{2}$ and 70 wt % ${\mathrm{Yb}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$) is characterized and evaluated in light of this series. Our data shows that upon positive $x$ doping, the cubic lattice parameter $a$ increases and the Curie-Weiss temperature ${{\theta}}_{\mathrm{CW}}$ decreases. Heat capacity measurements of stoichiometric ${\mathrm{Yb}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$ samples exhibit a sharp, first-order peak at $T=268$(4) mK that is suppressed in magnitude and temperature in samples doped off ideal stoichiometry. The full entropy recovered per Yb ion is 5.7 J ${\mathrm{K}}^{{-}1}{\approx}Rln2$. Our work establishes the effects of doping on ${\mathrm{Yb}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$'s physical properties, which provides further evidence indicating that previous crystals grown by the traditional floating zone method are doped off ideal stoichiometry. Additionally, we present how to grow high-quality colorless single crystals of ${\mathrm{Yb}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}$ by the traveling solvent floating zone growth method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Coding isotropic images

Rate distortion functions for two-dimensional homogeneous isotropic images are compared with the performance of 5 source encoders designed for such images. Both unweighted and frequency weighted mean square error distortion measures are considered. The coders considered are differential PCM (DPCM) using six previous samples in the prediction, herein called 6 pel (picutre element) DPCM; simple DPCM using single sample prediction; 6 pel DPCM followed by entropy coding; 8 x 8 discrete cosine transform coder, and 4 x 4 Hadamard transform coder. Other transform coders were studied and found to have about the same performance as the two transform coders above. With the mean square error distortion measure DPCM with entropy coding performed best. The relative performance of the coders changes slightly when the distortion measure is frequency weighted mean square error. The performance of all the coders was separated by only about 4 dB.

Oneal, J. B., Jr.↗
NASA NTRS1981

A modified adaptive delta modulator

This paper presents the results of a study in data compression of adaptive delta modulated video signals. The Song mode ADM is first investigated at a sampling rate of 16 Mbits/s and shown not to produce enough redundancy to warrant entropy encoding. A modified adaptive delta modulator algorithm is presented that operates at a sampling rate of 16 Mbits/s and does produce sufficient redundancy to yield a 40-50 percent data compression by using a simple code on 4 bit data blocks. Other techniques such as field interpolation and direct substitution are shown to increase the possible data compression further without noticeable degradation in the two input images used in this investigation. The effects of channel errors in the transmission of packet video over a computer network are considered. A leaky integrator is used to reduce the effects of channel errors in the data bits. It is shown that the effects of channel errors can be reduced by field interpolating those packets that can be shown to contain errors.

Barba, J.↗
DOE OSTI2024

Mixed Enthalpy–Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical Spaces

The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional material design and discovery. However, the identification of stable and synthesizable HEMs and robust design rules remains a daunting challenge. Here, we propose a mixed enthalpy–entropy descriptor (MEED) that enables highly efficient, robust, high-throughput prediction of synthesizable HEMs across vast chemical spaces from first-principles. The MEED is based on two parameters: the relative formation enthalpy with respect to the most stable competing compound and the spread of the point-defect formation energy spectrum. The former measures the relative synthesizability of an HEM to its most stable competing phase, going beyond the conventional thermodynamic understanding. Further, the latter gauges the relative entropy forming ability of an HEM, entailing no sampling over numerous alloy configurations. By applying the MEED to two structurally distinct representative material systems (i.e., 3D rocksalt carbides and 2D layered sulfides), we not only successfully identify all experimentally reported HEMs within these systems but also reveal a cutoff criterion for assessing their relative synthesizability within each system. By the MEED, tens of new high-entropy carbides and 2D high-entropy sulfides are also predicted, which have the potential for a wide variety of applications such as coating in aerospace devices, energy conversion and storage, and flexible electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Sequential ensemble-based optimal design for parameter estimation

The ensemble Kalman filter (EnKF) has been widely used in parameter estimation for hydrological models. The focus of most previous studies was to develop more efficient analysis (estimation) algorithms. On the other hand, it is intuitively understandable that a well-designed sampling (data-collection) strategy should provide more informative measurements and subsequently improve the parameter estimation. In this work, a Sequential Ensemble-based Optimal Design (SEOD) method, coupled with EnKF, information theory and sequential optimal design, is proposed to improve the performance of parameter estimation. Based on the first-order and second-order statistics, different information metrics including the Shannon entropy difference (SD), degrees of freedom for signal (DFS) and relative entropy (RE) are used to design the optimal sampling strategy, respectively. The effectiveness of the proposed method is illustrated by synthetic one-dimensional and two-dimensional unsaturated flow case studies. It is shown that the designed sampling strategies can provide more accurate parameter estimation and state prediction compared with conventional sampling strategies. Optimal sampling designs based on various information metrics perform similarly in our cases. Furthermore, the effect of ensemble size on the optimal design is also investigated. Overall, larger ensemble size improves the parameter estimation and convergence of optimal sampling strategy. Although the proposed method is applied to unsaturated flow problems in this study, it can be equally applied in any other hydrological problems.

54 ENVIRONMENTAL SCIENCES↗