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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Developing a safe on-orbit cryogenic depot

New U.S. space initiatives will require technology to realize planned programs such as piloted lunar and Mars missions. Key to the optimal execution of such missions are high performance orbit transfer vehicles and propellant storage facilities. Large amounts of liquid hydrogen and oxygen demand a uniquely designed on-orbit cryogenic propellant depot. Because of the inherent dangers in propellant storage and handling, a comprehensive system safety program must be established. This paper shows how the myriad and complex hazards demonstrate the need for an integrated safety effort to be applied from program conception through operational use. Even though the cryogenic depot is still in the conceptual stage, many of the hazards have been identified, including fatigue due to heavy thermal loading from environmental and operating temperature extremes, micrometeoroid and/or depot ancillary equipment impact (this is an important problem due to the large surface area needed to house the large quantities of propellant), docking and maintenance hazards, and hazards associated with extended extravehicular activity. Various safety analysis techniques were presented for each program phase. Specific system safety implementation steps were also listed. Enhanced risk assessment was demonstrated through the incorporation of these methods.

Bahr, Nicholas J.↗
NASA NTRS1998

Neural Networks for Rapid Design and Analysis

Artificial neural networks have been employed for rapid and efficient dynamics and control analysis of flexible systems. Specifically, feedforward neural networks are designed to approximate nonlinear dynamic components over prescribed input ranges, and are used in simulations as a means to speed up the overall time response analysis process. To capture the recursive nature of dynamic components with artificial neural networks, recurrent networks, which use state feedback with the appropriate number of time delays, as inputs to the networks, are employed. Once properly trained, neural networks can give very good approximations to nonlinear dynamic components, and by their judicious use in simulations, allow the analyst the potential to speed up the analysis process considerably. To illustrate this potential speed up, an existing simulation model of a spacecraft reaction wheel system is executed, first conventionally, and then with an artificial neural network in place.

Sparks, Dean W., Jr.↗
DOE OSTI2024

I/O performance studies of analysis workloads on production and dedicated resources at CERN

The recent evolutions of the analysis frameworks and physics data formats of the LHC experiments provide the opportunity of using central analysis facilities with a strong focus on interactivity and short turnaround times, to complement the more common distributed analysis on the Grid. In order to plan for such facilities, it is essential to know in detail the performance of the combination of a given analysis framework, of a specific analysis and of the installed computing and storage resources. This contribution describes performance studies performed at CERN, using the EOS disk-based storage, either directly or through an XCache instance, from both batch resources and highperformance compute nodes which could be used to build an analysis facility. A variety of benchmarks, both synthetic and based on real-world physics analyses and their corresponding input datasets, are utilized. In particular, the RNTuple format from the ROOT project is put to the test and compared to the latest version of the TTree format, and the impact of caches is assessed. In addition, we assessed the difference in performance between the use of storage system specific protocols, like XRootd, and FUSE. The results of this study are intended to be a valuable input in the design of analysis facilities, at CERN and elsewhere.

Sciabà, Andrea↗
NASA NTRS1993

Design and pilot evaluation of the RAH-66 Comanche selectable control modes

The RAH-66 Comanche helicopter has been designed to possess superior handling qualities over a wide range of flight conditions. The control laws have been tailored to satisfy the requirements of ADS-33C and the Weapon System Specification (WSS). This paper addresses the design of the Comanche Selectable Mode control laws (Velocity Stabilization/Hover Hold and Altitude Hold), which provide the additional stabilization and control augmentation needed when flying in a Degraded Visual Environment (DVE). An overview of the RAH-66 control laws is presented, including a detailed description of the Selectable Modes design. The primary focus of this paper is the results of piloted evaluation of these control laws in the Boeing motionbase simulator. These tests substantiate the detailed design of the Comanche Selectable Mode control laws. All tested DVE tasks (ADS-33C, sections 4.4 and 4.5) were rated Level 1. Other evaluation tasks confirmed the mission suitability of the control system. These control laws are ready for formal ADS-33C compliance testing in the Sikorsky Full Mission Simulator (FMS).

Phillip J Gold↗
NASA NTRS1995

Photospheric, circumstellar, and interstellar features of HE, C, N. O, and Si in the HST spectra of four hot white dwarf stars

This paper reports on the observations of four hot white dwarf stars with the spectrographs on the Hubble Space Telescope (HST). The higher resolving power and higher signal/noise, in comparison with IUE, reveals a very rich phenomomenology, including photospheric features from heavy elements, circumstellar features, and the first direct detection of accretion onto the white dwarf component of a binary system. Specific results include the following: Our observations of the ultrahot degenerate H1504+65 confirm that it has a photosphere which is depleted in both H and He, and reveals features of C IV and O VI. The spectrum fits previously published models extremely well. The intermediate-temperature DO star PG 1034+001 has an ultraviolet spectrum showing complex profiles of the well-known resonance doublets of C IV, N v, and Si IV. The O V 1371 line shows a clear separation into a photospheric and a circumstellar component, and it is likely that the same two components can explain the other lines as well. The cooler DA star GD 394 has an extensive system of heavy-element features, but their radial velocity is such that it is highly unlikely that they are formed in the stellar photosphere. Time-resolved spectra of the accreting white dwarf in the V 471 Tau binary system are briefly presented here; they do show the presence of C IV, Si IV, and He II. However, the C IV and He II lines are in emission, rather than in aborption as had been expected.

Shipman, Harry L.↗
DOE OSTI2024

Bench-Scale Testing of Monolithic PPI Structured Contactors for Direct Air Capture of CO 2

The overall project objective was to develop, optimize and bench-scale test the integrated embodiment of a leading direct air capture (DAC) sorbent composition, linear-poly(propylenimine) (l-PPI), in a structured material system, specifically a monolithic contactor for achieving low pressure drop, to justify its further scale-up in a subsequent program. The project team was led by CORMETECH, a leading monolithic gas/solid contactor manufacturer for environmental applications, and included Global Thermostat, a well-known DAC start-up, and Georgia Tech, a prominent US academic institution in carbon capture and DAC. The monolithic contactor for l-PPI in this project employed an advanced, cost-effective fabrication technique from CORMETECH, namely a porous monolith substrate directly impregnated with the amine, an approach contrasting to the traditional wash-coating methods used for activating monoliths. The l-PPI monolithic contractor is targeted for use in DAC systems such as the Global Thermostat DAC process, which involves the cyclic operation of ambient air flow over a monolithic amine contactor followed by steam-mediated thermal desorption and CO 2 collection, maximizing volumetric productivity while reducing the auxiliary power required to capture CO 2 from air. The Global Thermostat DAC process currently utilizes poly(ethyleneimine) (PEI) materials as baseline sorbents, which are subject to oxidative degradation and slow capacity fade at the elevated temperature required for efficient CO 2 removal. Georgia Tech, with Global Thermostat, had discovered in lab-scale efforts that l-PPI had superior resistance to oxidative degradation compared to PEI, with similar CO 2 adsorption capacity. While the novel l-PPI sorbent offers significant advantages over PEI for DAC, including potential design simplification and increased process efficiency, it is not commercially available, and prior to this project, had not yet been evaluated on the bench-scale in a structured contactor.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Fabrication of a novel gigabit/second free-space optical interconnect - photodetector characterization and testing and system development

The time when computing power is limited by the copper wire inherent in the computer system and not the speed of the microprocessor is rapidly approaching. With constant advances in computer technology, many researchers believe that in only a few years, optical interconnects will begin to replace copper wires in your Central Processing Unit (CPU). On a more macroscopic scale, the telecommunications industry has already made the switch to optical data transmission as, to date, fiber optic technology is the only reasonable method of reliable, long range data transmission. Within the span of a decade, we will see optical technologies move from the macroscopic world of the telecommunications industry to the microscopic world of the computer chip. Already, the communications industry is marketing commercially available optical links to connect two personal computers, thereby eliminating the need for standard and comparatively slow wired and wireless Ethernet transfers and greatly increasing the distance the computers can be separated. As processing demands continue to increase, the realm of optical communications will continue to move closer to the microprocessor and quite possibly onto the microprocessor itself. A day may come when copper connections are used only to supply power, not transfer data. This summer s work marks some of the beginning stages of a 5 to 10 year, long-term research project to create and study a free-space, 1 Gigabit/sec optical interconnect. The research will result in a novel fabricated, chip-to-chip interconnect consisting of a Vertical Cavity Surface Emitting Laser (VCSEL) Diode linked through free space to a Metal- Semiconductor-Metal (MSM) Photodetector with the possible integration of microlenses for signal focusing and Micro-Electromechanical Systems (MEMS) devices for optical signal steering. The advantages, disadvantages, and practicality of incorporating flip-chip mounting technologies will also be addressed. My work began with the design and construction of a test setup for the experiment and then appropriate characterization of the test system. Specifically, I am involved in the characterization of a commercially available 1550nm wavelength, 5mW diode laser and a study of its modulation bandwidth. Commercially produced photodetectors as well as the incorporation of microwave technology, in the form of RF input and output, are used in the characterization procedure. The next stage involves the use of a probe station and network analyzer to characterize and test a series of photodetectors fabricated on a 2 inch, Indium Gallium Arsenide (InGaAs) wafer in the Branch s microlithography lab. Other project responsibilities include, but are not limited to the incorporation of a transimpedance amplifier to the photodetector circuit; a study of VCSEL technology; bit error rate analysis of an optical interconnect system; and analysis of free space divergence of the VCSEL, optical path length of the interconnect; and any other pertinent optical properties of the one gigabit per second interconnect for fabrication and testing.

Savich, Gregory R.↗
DOE OSTI2024

Hexagonal Lattices of HIV Capsid Proteins Explored by Simulations Based on a Thermodynamically Consistent Model

HIV capsid proteins (CAs) may self-assemble into a variety of shapes under in vivo and in vitro conditions. Here, we employed simulations based on a residue-level coarse-grained (CG) model with full conformational flexibility to investigate hexagonal lattices, which are the underlying structural pattern for CA aggregations. Facilitated by enhanced sampling simulations to rigorously calculate CA dimerization and polymerization affinities, we calibrated our model to reproduce the experimentally measured affinities. Here using the calibrated model, we performed unbiased simulations on several large systems consisting of 1512 CA subunits, allowing reversible binding and unbinding of the CAs in a thermodynamically consistent manner. In one simulation, a preassembled hexagonal CA sheet developed spontaneous curvatures reminiscent of those observed in experiments, and the edges of the sheet exhibited local curvatures larger than those of the interior. In other simulations starting with randomly distributed CAs at different concentrations, existing CA assemblies grew by binding free capsomeres to the edges and by merging with other assemblies. At high CA concentrations, rapid establishment of predominant aggregates was followed by much slower adjustments toward more regular hexagonal lattices, with increasing numbers of intact CA hexamers and pentamers being formed. Our approach of adapting a general CG model to specific systems by using experimental binding data represents a practical and effective strategy for simulating and elucidating intricate protein aggregations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

UO 2 HALEU Transportation Package Evaluation and Recommendations

This M3FT-19IN030205042 milestone report presents the current status on investigations related to the development of HALEU transportation capabilities in the U.S. The report initially reviews potential short-term HALEU production options and describes an expected HALEU composition. It then discusses the regulatory bases for HALEU transportation and identifies two compliant packaging designs: (1) the TN Americas TN-LC and (2) the NAC International OPTIMUS™-L. To modify these designs for HALEU transportation, an inner canister concept, and modular metal and foam basket concepts were developed, and this is described in the report. The expected activity, criticality tendency, radiation level, and decay heat of the package content are evaluated considering the specific system characteristics. Based on the results of the investigations, the research team consisting of INL, PNNL, and ORNL staff concluded that, given the anticipated source material composition, the OPTIMUS™-L, or a comparable design, is the preferred candidate. This is due to its larger HALEU payload per LWT, lighter weight, and simpler handling procedures compared to the TN-LC. Thus, ongoing research efforts for the scope of this project will focus on more thorough evaluations of the OPTIMUS™-L packaging for HALEU transportation. A tentative timeline is presented for the remaining work that is planned for FY 2020. The goal is the development of F&Rs that provide guidance to a potential HALEU transportation package vendor on critical specifications by August 2020.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Charge Transport in Solvated Donor–Acceptor Functionalized Peptoids: Molecular Dynamics and Rate Theory

Scalable solar-energy conversion requires photoactive materials that combine the efficiency of natural photosynthetic systems with the stability and processability needed for practical applications. Achieving reliable charge transport in soft, self-assembled organic materials remains challenging, as structural fluctuations and environmental effects strongly influence charge-transfer (CT) rates. Here, we present a broadly applicable computational framework for evaluating CT rates in the condensed phase, combining Fermi’s golden rule rate theory with inputs from all-atom molecular dynamics (MD) simulations and first-principles electronic-structure calculations. The approach does not rely on system-specific parametrization and is applicable to a wide range of soft and disordered materials. We demonstrate the applicability and usefulness of the framework on redox-active peptoids functionalized with iron–porphyrin (Fe–P) complexes, a bioinspired platform with programmable donor–acceptor units and tunable three-dimensional organization. The calculated CT rates exhibit strong sensitivity to molecular conformation, with variations spanning several orders of magnitude. This dependence is shown to arise from the pronounced variation in diabatic electronic coupling with the relative orientations and separations of the Fe–P complexes across the conformational ensemble. The framework provides a consistent route for connecting atomistic structure to CT kinetics in the condensed phase and enables analysis of structure–rate relations in organic semiconducting systems.

Charge transfer↗
DOE OSTI2020

Modeling the corrosion of steel casing and the damage of well cement in a borehole system

This work presents the effect of chloride-induced corrosion in an underground borehole system, specifically considering the steel casing and further damage to the surrounding cement. In the past four decades, oil well cement has been successfully used for underground construction. However, high concentrations of chloride ions gradually degrade the functionality and durability of well cement. Gasses and liquids can leak from deterioration caused by chloride ions, and thus motivate this study. The chemo-mechanical coupling diffusion model and a classical fracture mechanics model are applied. The model is validated with OPC concrete corrosion data from literature, and then applied to well cement using experimentally obtained material property data. The time when crack initiation, peak pressure, and complete fracture is reached in the model of the cement sheath provides a quantification of the expected service life of the borehole system.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Prediction and Experimental Verification of Electrolyte Solvation Structure from an OMol25-Trained Interatomic Potential

A molecular-level understanding of electrolyte solvation structure and ion–ion correlations is critical to developing next-generation battery chemistries. Atomistic simulation capabilities with sufficient accuracy, speed, and transferability to deliver reliable structural insights while avoiding arduous system-specific reparameterization are thus highly desirable. Machine learning interatomic potentials (MLIPs) trained on large, chemically diverse data sets are revolutionizing computational chemistry, enabling molecular dynamics simulations of battery electrolytes with near-DFT accuracy over 10,000× faster than DFT. While previous MLIP training data sets with suitable elemental coverage for electrolytes have been based on inorganic materials, the Open Molecules 2025 (OMol25) data set provides large-scale molecular DFT MLIP training data with broad elemental coverage and specifically samples tens of millions of electrolyte configurations. Here, we integrate computational modeling with experimental validation to systematically assess the ability of large-scale MLIPs pretrained on materials data or on OMol25 to accurately resolve nanoscale structural organization and ion-solvation characteristics in Na-ion battery electrolytes across diverse physicochemical conditions and compositional regimes. We find that the OMol25-trained Universal Model of Atoms (UMA-OMol) predicts experimentally measured densities and X-ray structure factors in substantially better agreement compared to state-of-the-art models trained only on inorganic materials data. Using UMA-OMol, we further analyze systematic trends in solvation structure as a function of cation identity, anion chemistry, salt concentration, and solvent topology. We observe that increasing system temperature amplifies the heterogeneity within the solvation environment, perturbing cation–solvent interactions and promoting the formation of contact ion pairs (CIPs). Moreover, subtle variations in the solvent topology of glyme-based electrolytes cause pronounced changes in ion correlations and solvation structure. The experimental agreement and microscopic insights shown here position OMol25-trained MLIPs as a practical route to predictive, high-throughput electrolyte simulations beyond the limits of classical force fields and direct DFT molecular dynamics, serving as a powerful tool for accelerating the design of next-generation Na-ion battery electrolytes and beyond.

MLIPs↗
DOE OSTI2024

Genetic and Functional Diversity Help Explain Pathogenic, Weakly Pathogenic, and Commensal Lifestyles in the Genus Xanthomonas

The genus Xanthomonas has been primarily studied for pathogenic interactions with plants. However, besides host and tissue-specific pathogenic strains, this genus also comprises nonpathogenic strains isolated from a broad range of hosts, sometimes in association with pathogenic strains, and other environments, including rainwater. Based on their incapacity or limited capacity to cause symptoms on the host of isolation, nonpathogenic xanthomonads can be further characterized as commensal and weakly pathogenic. This study aimed to understand the diversity and evolution of nonpathogenic xanthomonads compared to their pathogenic counterparts based on their cooccurrence and phylogenetic relationship and to identify genomic traits that form the basis of a life history framework that groups xanthomonads by ecological strategies. We sequenced genomes of 83 strains spanning the genus phylogeny and identified eight novel species, indicating unexplored diversity. While some nonpathogenic species have experienced a recent loss of a type III secretion system, specifically the hrp2 cluster, we observed an apparent lack of association of the hrp2 cluster with lifestyles of diverse species. We performed association analysis on a large data set of 337 Xanthomonas strains to explain how xanthomonads may have established association with the plants across the continuum of lifestyles from commensals to weak pathogens to pathogens. Presence of distinct transcriptional regulators, distinct nutrient utilization and assimilation genes, transcriptional regulators, and chemotaxis genes may explain lifestyle-specific adaptations of xanthomonads.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Variation of the external quantum efficiency with temperature and current density in red, blue, and deep ultraviolet light-emitting diodes

The temperature-dependent external quantum efficiencies (EQEs) were investigated for a 620 nm AlGaInP red light-emitting diodes (LEDs), a 450 nm GaInN blue LED, and a 285 nm AlGaN deep-ultraviolet (DUV) LED. We observed distinct differences in the variation of the EQE with temperature and current density for the three types of LEDs. Whereas the EQE of the AlGaInP red LED increases as temperature decreases below room temperature, the EQEs of GaInN blue and AlGaN DUV LEDs decrease for the same change in temperature in a low-current density regime. The free carrier concentration, as determined from the dopant ionization energy, shows a strong material-system-specific dependence, leading to different degrees of asymmetry in carrier concentration for the three types of LEDs. We attribute the EQE variation of the red, blue, and DUV LEDs to the different degrees of asymmetry in carrier concentration, which can be exacerbated at cryogenic temperatures. As for the EQE variation with temperature in a high-current density regime, the efficiency droop for the AlGaInP red and GaInN blue LEDs becomes more apparent as temperature decreases, due to the deterioration of the asymmetry in carrier concentration. However, the EQE of the AlGaN DUV LED initially decreases, then reaches an EQE minimum point, and then increases again due to the field-ionization of acceptors by the Poole-Frenkel effect. The results elucidate that carrier transport phenomena allow for the understanding of the droop phenomenon across different material systems, temperatures, and current densities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Automatic detection of large pulmonary solid nodules in thoracic CT images

Purpose: Current computer-aided detection (CAD) systems for pulmonary nodules in computed tomography (CT) scans have a good performance for relatively small nodules, but often fail to detect the much rarer larger nodules, which are more likely to be cancerous. We present a novel CAD system specifically designed to detect solid nodules larger than 10 mm. Methods: The proposed detection pipeline is initiated by a three-dimensional lung segmentation algorithm optimized to include large nodules attached to the pleural wall via morphological processing. An additional preprocessing is used to mask out structures outside the pleural space to ensure that pleural and parenchymal nodules have a similar appearance. Next, nodule candidates are obtained via a multistage process of thresholding and morphological operations, to detect both larger and smaller candidates. After segmenting each candidate, a set of 24 features based on intensity, shape, blobness, and spatial context are computed. A radial basis support vector machine (SVM) classifier was used to classify nodule candidates, and performance was evaluated using ten-fold cross-validation on the full publicly available lung image database consortium database. Results: The proposed CAD system reaches a sensitivity of 98.3% (234/238) and 94.1% (224/238) large nodules at an average of 4.0 and 1.0 false positives/scan, respectively. Conclusions: The authors conclude that the proposed dedicated CAD system for large pulmonary nodules can identify the vast majority of highly suspicious lesions in thoracic CT scans with a small number of false positives.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A Comprehensive Overview of Postbiotics with a Special Focus on Discovery Techniques and Clinical Applications

The increasing interest in postbiotics, a term gaining recognition alongside probiotics and prebiotics, aligns with a growing number of clinical trials demonstrating positive outcomes for specific conditions. Postbiotics present several advantages, including safety, extended shelf life, ease of administration, absence of risk, and patentability, making them more appealing than probiotics alone. This review covers various aspects, starting with an introduction, terminology, classification of postbiotics, and brief mechanisms of action. It emphasizes microbial metabolomics as the initial step in discovering novel postbiotics. Commonly employed techniques such as NMR, GC-MS, and LC-MS are briefly outlined, along with their application principles and limitations in microbial metabolomics. The review also examines existing research where these techniques were used to identify, isolate, and characterize postbiotics derived from different microbial sources. The discovery section concludes by highlighting challenges and future directions to enhance postbiotic discovery. In the second half of the review, we delve deeper into numerous published postbiotic clinical trials to date. We provide brief overviews of system-specific trial applications, their objectives, the postbiotics tested, and their outcomes. The review concludes by highlighting ongoing applications of postbiotics in extended clinical trials, offering a comprehensive overview of the current landscape in this evolving field.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

DESIGN ISSUES AND QUALIFICATION OF HYDROFORMED DOUBLE WALLED EXPANSION JOINTS IN VACUUM SERVICE

The Vacuum Auxiliary System for ITER is devoted to pumping out, venting, and purging the vacuum volumes of the tokamak. Over 5000 clients including the cryostat and vacuum vessel, at 8500 m3 and 1400 m3 respectively, are serviced by approximately 150 pumping stations through 6 km of pipework. The piping and functions provided to the clients include component operation, routing of potentially tritiated gases, and timely leak localization. Expansion joints are used to reduce loadings on pumps and piping stresses but also to qualify in-line components having low allowable design loads. The ITER project utilizes vacuum valves that are not designed to withstand typical piping system loadings and require detailed design and evaluation. Loading scenarios prescribed by governing system specifications must be considered. To maintain allowable design loads for components and to keep piping stresses below code requirements, double walled hydroformed expansion joints have been employed in the design. These are not standard items and require custom fabrication. Installation space constraints and adjacent pipe support attachment location availability at ITER limit standard expansion joint installation guidelines provided by the Expasion Joint Manufacturers Association (EJMA). Careful consideration must be given to the analysis model to ensure proper function and life expectancy of the component. These considerations include accurate accounting of thrust forces, thermal movements, seismic accelerations, equipment and building differential displacements. In addition to displacements, the process internal, external, and interspace pressures affect the qualification and selection of the double walled expansion joints. The calculation results shall confirm that deflections, forces, and moments are reasonable for the size and type required for the system’s demands as evaluated against the manufacturer’s design.

Clark, Forrest [ORNL] (ORCID:0009000678106843)↗
DOE OSTI2016

Comparative atomic-scale hydration of the ceramide and phosphocholine headgroup in solution and bilayer environments

Previous studies have used neutron diffraction to elucidate the hydration of the ceramide and the phosphatidylcholine headgroup in solution. These solution studies provide bond-length resolution information on the system, but are limited to liquid samples. The work presented here investigates how the hydration of ceramide and phosphatidylcholine headgroups in a solution compares with that found in a lipid bilayer. This work shows that the hydration patterns seen in the solution samples provide valuable insight into the preferential location of hydrating water molecules in the bilayer. There are certain subtle differences in the distribution, which result from a combination of the lipid conformation and the lipid-lipid interactions within the bilayer environment. The lipid-lipid interactions in the bilayer will be dependent on the composition of the bilayer, whereas the restricted exploration of conformational space is likely to be applicable in all membrane environments. The generalized description of hydration gathered from the neutron diffraction studies thus provides good initial estimation for the hydration pattern, but this can be further refined for specific systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗