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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.

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At least 55 records · Page 3

A Geomechanical Model for Gas Hydrate Bearing Sediments Incorporating High Dilatancy, Temperature, and Rate Effects

The geomechanical behavior of methane hydrate bearing sediments (MHBS) is influenced by many factors, including temperature, fluid pressure, hydrate saturation, stress level, and strain rate. The paper presents a visco-elastoplastic constitutive model for MHBS based on an elastoplastic model that incorporates the effect of hydrate saturation, stress history, and hydrate morphology on hydrate sediment response. The upgraded model is able to account for additional critical features of MHBS behavior, such as, high-dilatancy, temperature, and rate effects. The main components and the mathematical formulation of the new constitutive model are described in detail. The upgraded model is validated using published triaxial tests involving MHBS. The model agrees overly well with the experimental observations and is able to capture the main features associated with the behavior of MHBS.

15 GEOTHERMAL ENERGY↗

Gouge formation and dilation impacts to flow during fracture shearing

We report flow in fractures is of critical importance to fluid flow in low-permeability shales, particularly when they restrict vertical migration from reservoirs. The Mt. Simon Sandstone is a target for geologic CO 2 sequestration and the overlying Eau Claire Formation is the sealing formation capping this reservoir. The lower Eau Claire, a primary barrier to upward migration of CO 2 from the Mt. Simon, is lithologically heterogenous with a mixture of sandstone and shale. We use a series of flow-through experiments on fractured samples from the Eau Claire to document the morphological changes taking place in the fracture and surrounding rock as it is sheared in a stepwise fashion. The samples were imaged using computed tomography after each shearing episode and flow resistance was calculated based on the pressure differential across each core. We found that gouge accumulations in the fracture plane led to specific instances of self-sealing behavior despite the fact that most samples increased in average fracture aperture and transmissivity. Gouge limited the increase or, in some cases, decreased flow through these samples. Fractures adjacent to shale-rich zones and concordant with bedding were more likely to show evidence of self-sealing, while increased sandstone content and fracture orientation perpendicular to bedding planes was more likely to result in fracture dilation and fracture permeability increases. Reactivation and shearing of vertical fractures in lithologically heterogenous caprocks is more likely to pose risks to long term CO 2 storage scenarios.

58 GEOSCIENCES↗

Rotational and dilational reconstruction in transition metal dichalcogenide moiré bilayers

Abstract Lattice reconstruction and corresponding strain accumulation plays a key role in defining the electronic structure of two-dimensional moiré superlattices, including those of transition metal dichalcogenides (TMDs). Imaging of TMD moirés has so far provided a qualitative understanding of this relaxation process in terms of interlayer stacking energy, while models of the underlying deformation mechanisms have relied on simulations. Here, we use interferometric four-dimensional scanning transmission electron microscopy to quantitatively map the mechanical deformations through which reconstruction occurs in small-angle twisted bilayer MoS 2 and WSe 2 /MoS 2 heterobilayers. We provide direct evidence that local rotations govern relaxation for twisted homobilayers, while local dilations are prominent in heterobilayers possessing a sufficiently large lattice mismatch. Encapsulation of the moiré layers in hBN further localizes and enhances these in-plane reconstruction pathways by suppressing out-of-plane corrugation. We also find that extrinsic uniaxial heterostrain, which introduces a lattice constant difference in twisted homobilayers, leads to accumulation and redistribution of reconstruction strain, demonstrating another route to modify the moiré potential.

74 ATOMIC AND MOLECULAR PHYSICS↗

A deep dilated convolutional residual network for predicting interchain contacts of protein homodimers

Abstract Motivation Deep learning has revolutionized protein tertiary structure prediction recently. The cutting-edge deep learning methods such as AlphaFold can predict high-accuracy tertiary structures for most individual protein chains. However, the accuracy of predicting quaternary structures of protein complexes consisting of multiple chains is still relatively low due to lack of advanced deep learning methods in the field. Because interchain residue–residue contacts can be used as distance restraints to guide quaternary structure modeling, here we develop a deep dilated convolutional residual network method (DRCon) to predict interchain residue–residue contacts in homodimers from residue–residue co-evolutionary signals derived from multiple sequence alignments of monomers, intrachain residue–residue contacts of monomers extracted from true/predicted tertiary structures or predicted by deep learning, and other sequence and structural features. Results Tested on three homodimer test datasets (Homo_std dataset, DeepHomo dataset and CASP-CAPRI dataset), the precision of DRCon for top L/5 interchain contact predictions (L: length of monomer in a homodimer) is 43.46%, 47.10% and 33.50% respectively at 6 Å contact threshold, which is substantially better than DeepHomo and DNCON2_inter and similar to Glinter. Moreover, our experiments demonstrate that using predicted tertiary structure or intrachain contacts of monomers in the unbound state as input, DRCon still performs well, even though its accuracy is lower than using true tertiary structures in the bound state are used as input. Finally, our case study shows that good interchain contact predictions can be used to build high-accuracy quaternary structure models of homodimers. Availability and implementation The source code of DRCon is available at https://github.com/jianlin-cheng/DRCon. The datasets are available at https://zenodo.org/record/5998532#.YgF70vXMKsB. Supplementary information Supplementary data are available at Bioinformatics online.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of pore dilation in molecular transport through the nuclear pore complex: Insights from polymer scaling theory

The nuclear pore complex (NPC), a channel within the nuclear envelope filled with intrinsically disordered proteins, regulates the transport of macromolecules between the nucleus and the cytoplasm. Recent studies have highlighted the NPC’s ability to adjust its diameter in response to the membrane tension, underscoring the importance of exploring how variations in pore size influence molecular transport through the NPC. In this study, we investigated the relationship between pore size and transport rate and proposed a mathematical model describing this connection. We began by theoretically analyzing how the pore size scales with the characteristic dimensions of the mesh-like structure within the pore. By introducing key assumptions about how the meshwork structure influences molecular diffusion, we derived a mathematical expression for the transport rate based on the size of the pore and the transported molecules. To validate our model, we conducted Brownian dynamics simulations using a coarse-grained representation of the NPC. These simulations, performed across a range of pore sizes, demonstrated strong agreement with our model’s predictions, confirming its accuracy and applicability. Our model is specifically tailored for small-to-medium-sized molecules, approximately 5 nanometers in size, making it relevant to a wide range of transcription factors and signaling molecules. It also extends to molecules with weak and transient interactions with FG-Nups, such as importin-β. By presenting this model formula, our study offers a quantitative framework for analyzing the effects of pore dilation on nucleocytoplasmic transport.

Biochemistry & Molecular Biology↗

Time Dilated Bundt Cake Analysis of PV Output [Poster]

We present a novel method for modeling time-dependent statistics in the power signal generated by a photovoltaic (PV) system. Our white-box machine learning method is interpretable and auditable, based on principles of multiperiodic basis functions and convex optimization. Our proposed method of time dilating the daily signal to remove night time values results in a novel representation of PV power signals, evocative of a ‘Bundt cake’. The proposed model describes the marginal distribution of power output as a function of date and time. The resulting probabilistic model of a PV system can be used to perform a variety of tasks, and here, we demonstrate the application of clear sky detection.

14 SOLAR ENERGY↗

Reflex limb dilatation following norepinephrine and angiotensin II in conscious dogs

The extent to which norepinephrine (NE) and angiotensin II (AN) constrict the mesenteric, renal, and iliac beds in conscious dogs is evaluated with a view to elicit opposing reflex actions tempering the vasoconstriction in the limb of the animals tested. The afferent and efferent mechanisms mediating this reflex are analyzed. It is shown that intravenous NE and AN cause striking reflex iliac dilatation in the limb of the conscious dog. The afferent arc of this reflex involves both arterial baroreceptor and vagal path-ways, whereas the efferent mechanism involves an interaction of alpha-adrenergic and histaminergic receptors.

Vatner, S. F.↗

The effect of dilatancy on velocity anisotropy in Westerly granite

Jacketed samples of Westerly granite were fractured at confining pressures up to 1 kbar, and compressional and horizontally as well as vertically polarized shear velocities were measured in orthogonal directions perpendicular to the compression axis. Changes occurring with increased strain are described, and the velocity data were analyzed by application of the Anderson et al (1974) approach. Observed and calculated velocities are found to be in good agreement, and the degree of dilatancy was determined from the differences between the strains measured perpendicularly to the compression axis and the estimated elastic strains in those directions.

Soga, N.↗

Periodically correlated processes and their stationary dilations

An explicit form for a stationary dilation for periodically correlated random processes is obtained. This is then used to give spectral conditions for a periodically correlated process to be non-deterministic, purely deterministic, minimal, and to have a positive angle between its past and future.

Miamee, A. G.↗

Distortion of homogeneous turbulence by axisymmetric strain and dilatation

Rapid distortion theory is applied to study distortion of homogeneous turbulence subject to two different axisymmetric strain modes: the axisymmetric contraction (AC, nozzle-type flow), and the axisymmetric expansion (AE, diffuser-type flow). The paper explores the differences in effects of the two axisymmetric strain modes on the anisotropy of correlations and structures of turbulence; examines the effect of dilatation on the distortion of turbulence; and provides a theoretical background for turbulence model development. It is found that velocity and vorticity fluctuations are enhanced more efficiently by contraction than by expansion; contraction produces much higher anisotropy in velocity and vorticity than expansion; root-mean-square pressure is slightly reduced during contraction, whereas it increases rapidly during expansion; and vortical structures of rodlike shape develop in a contraction flow, while disklike structures develop in an expansion flow. A simple model that reflects the dependence of turbulence evolution on structural parameters such as the Reynolds-stress anisotropy and total strain is proposed, and is shown to outperform all other models for all cases examined, regardless of the mean strain rate.

Lee, Moon Joo↗

Efficient algorithms for dilated mappings of binary trees

The problem is addressed to find a 1-1 mapping of the vertices of a binary tree onto those of a target binary tree such that the son of a node on the first binary tree is mapped onto a descendent of the image of that node in the second binary tree. There are two natural measures of the cost of this mapping, namely the dilation cost, i.e., the maximum distance in the target binary tree between the images of vertices that are adjacent in the original tree. The other measure, expansion cost, is defined as the number of extra nodes/edges to be added to the target binary tree in order to ensure a 1-1 mapping. An efficient algorithm to find a mapping of one binary tree onto another is described. It is shown that it is possible to minimize one cost of mapping at the expense of the other. This problem arises when designing pipelined arithmetic logic units (ALU) for special purpose computers. The pipeline is composed of ALU chips connected in the form of a binary tree. The operands to the pipeline can be supplied to the leaf nodes of the binary tree which then process and pass the results up to their parents. The final result is available at the root. As each new application may require a distinct nesting of operations, it is useful to be able to find a good mapping of a new binary tree over existing ALU tree. Another problem arises if every distinct required binary tree is known beforehand. Here it is useful to hardwire the pipeline in the form of a minimal supertree that contains all required binary trees.

Iqbal, M. Ashraf↗