Near Zero Field Magnetoresistance Investigation of 4H-SiC PiN Junctions Subjected to Energetic Carbon Ion Bombardment
Poster displaying results of Ion Beam Lab testing of non-Sandia test structures.
Burgess, Kaila N. [Pennsylvania State University]↗
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Characterization of Soft Error Rate Against Memory Elements Spacing and Clock Skew in a Logic with Triple Modular Redundancy in a 65nm Process
Single Event Effects introduce soft errors in ASICs. Design methodologies like Triple ModularRedundancy (TMR) with clock skew insertion, a system level redundancy technique is a commonpractice by designers to mitigate soft errors. However, the optimal spacing between memoryelements in a TMR in 65nm process hasn't been addressed so far. RD53SEU is a mini ASICdevelopment under the framework of the CERN RD53 collaboration to characterize the soft errorrates against the separation spacing and clock skew between memory elements in a TMR. Thisarticle describes the architecture and design aspects of the various test structures on the RD53SEUtest chip.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Evaluation of the U.S. Department of Energy Challenge Home Program Certification of Production Builders - Chicago, IL and Devens, MA
TO4 Task 3.1 - K Hovnanian Chicago, IL DOE Challenge Home Program Certified Home Constructed and Verified Specifications DOE Challenge Home Building envelope Ceiling R-49 blown fiberglass, Grade I Walls 2x4 framing @ 16 o.c. with R-13 fiberglass batts, Grade I and 1"" R-5 extruded polystyrene (XPS) insulating sheathing Frame Floors R-38 blown fiberglass, Grade I Basement Walls R-19 fiberglass batts draped full height, Grade I Basement Slab uninsulated Windows Above Grade: ENERGY STAR certified, U=0.29, SHGC=0.28 Basement: Non ENERGY STAR certified, U=0.29, SHGC=0.24 Infiltration 2 ACH 50 Mechanical systems Heat 95% AFUE sealed combustion natural gas furnace in conditioned space Goodman GMH950703BXAF Cooling 13 SEER split system Goodman GSX130301BC DHW AO Smith Vertex 100 0.96 EF natural gas tank water heater in 2nd floor utility closet Hot Water Distribution Redesigned trunk and branch Compliant with EPA WaterSense Efficient Distribution Requirements Ducts Located 100% in conditioned space via floor joists leak free to outside (5% or less) Ventilation Central Fan Integrated Supply (CFIS) ventilation with 6"" insulated outside air duct Fan Controller: Air Cycler FRV, with 6"" motorized damper 50 CFM outside air flow, 33% duty cycle (10 minutes on, 20 minutes off); ASHRAE 62.2-2010 compliance via an exhaust fan - Panasonic FV-08VQ5 WhisperCeiling Rerturn Pathways Active Return at Master Bedroom Transfer Grilles in Secondary Bedrooms Appliances, Lighting, MELs Lights 80% ENERGY STAR certified CFL Appliances ENERGY STAR certified refrigerator, dishwasher, and clothes washer; Natural gas range/oven and clothes dryer" STRUCTURE - Test House Lot 145 - 2013 DOE Challenge Test House Task 3.1 Bolingbrook, IL 60490 House is constructed and is DOE Challenge Verified by Don Nelson, a local rater. The purpose of this project was to evaluate integrated packages of advanced measures in individual test homes to assess their performance with respect to Building America Program goals, specifically compliance with the DOE Challenge Home Program. To that end, Building Science Corporation (BSC) consulted on the construction of five test houses by three cold climate production builders in three separate U.S. cities. (1) K. Hovnanian Homes, Chicago, Illinois (2) David Weekley Homes, Denver, Colorado (3) Transformations, Inc., Devens, Massachusetts. Overall, the builders have concluded that the energy related upgrades (either through the prescriptive or performance path) represent reasonable upgrades. The builders commented that while not every improvement in specification was cost effective (as in a reasonable payback period), many were improvements that could improve the marketability of the homes and serve to attract more energy efficiency discerning prospective homeowners. However, the builders did express reservations about the associated checklists and added certifications. An increase in administrative time was observed with all builders. The checklists and certifications also inherently increase cost due to: (1) Adding services to the scope of work for various trades, such as HERS Rater and heating, ventilation, and air conditioning contractor. (2) Increased material costs related to the checklists, especially the U.S. Environmental Protection Agency Indoor airPLUS and WaterSense Efficient Hot Water Distribution requirement. Ceiling - 18" cellulose Walls - 12" open cell spray foam in double stud walls Foundation - R-10 under slab, 3 1/2" closed-cell spray foam at walls Windows - Harvey U=0.20, SHGC=0.22 Infiltration - 1.0 sq in per 100 sq ft Heating - Mini split heat pump, 10.6 HSPF, 23 SEER Cooling - Mini split heat pump, 10.6 HSPF, 23 SEER DHW - 0.97 EF instantaneous propane water heater Ventilation - bathroom exhaust fans as basic option, HRV upgrade option Adams Circle Devens MA 01434 Cavite Street Devens, MA 01434
Array↗
Post-Deployment Characterization of Glass Fiber-Reinforced Thermoset and Thermoplastic Composite Tidal Turbine Blades
In 2021, the National Renewable Energy Laboratory (NREL) supported Verdant Power with the most successful tidal energy deployment in U.S. history. Three of their Gen5d 5 m turbines were deployed as part of the Roosevelt Island Tidal Energy project. Initially, the three rotors initially deployed were manufactured from glass fiber-reinforced epoxy composites. Midway through the deployment, one rotor was replaced with one manufactured at NREL. The new rotor utilized a novel infusible thermoplastic resin system. Since the deployment, one epoxy rotor and one thermoplastic rotor were returned to NREL for continued materials and manufacturing research. The two rotors underwent full-scale structural testing before being sectioned and cut into specimens for a variety of manufacturing quality tests, thermomechanical characterization, and evaluation of material performance in marine environments to understand the key differences between the fiberglass-reinforced epoxy and Elium composites used for the respective rotors. Matrix burn-off tests showed that the Elium blades had a considerably higher fiber volume fraction compared to the epoxy blades (61% vs. 49%). Environmental aging of the specimens showed that the epoxy laminates absorbed more water over the conditioning period; however, it was determined that the Elium laminates had higher diffusion coefficients, so they initially absorbed water faster. Finally, one full epoxy blade and one full Elium blade were conditioned at ambient temperatures for up to 11 months, while periodic mass measurements were taken. The datasets were extrapolated to assume a full 20-year operational life span, and it was determined that the blades would not reach full saturation during that time span.
composite manufacturing↗
Myosin Head Configurations in Resting and Contracting Murine Skeletal Muscle
Transgenic mouse models have been important tools for studying the relationship of genotype to phenotype for human diseases, including those of skeletal muscle. We show that mouse skeletal muscle can produce high quality X-ray diffraction patterns establishing the mouse intact skeletal muscle X-ray preparation as a potentially powerful tool to test structural hypotheses in health and disease. A notable feature of the mouse model system is the presence of residual myosin layer line intensities in contracting mouse muscle patterns. This provides an additional tool, along with the I1,1/I1,0 intensity ratio, for estimating the proportions of active versus relaxed myosin heads under a given set of conditions that can be used to characterize a given physiological condition or mutant muscle type. We also show that analysis of the myosin layer line intensity distribution, including derivation of the myosin head radius, Rm, may be used to study the role of the super-relaxed state in myosin regulation. When the myosin inhibitor blebbistatin is used to inhibit force production, there is a shift towards a highly quasi-helically ordered configuration that is distinct from the normal resting state, indicating there are more than one helically ordered configuration for resting crossbridges.
Ma, Weikang↗
Dynamically Reconfigurable Data Readout of Pixel Detectors for Automatic Synchronization with Data Acquisition Systems
Reconfigurable detectors with dynamically selectable sensing and readout modes are highly desirable for implementing edge computing as well as enabling advanced imaging techniques such as foveation. The concept of a camera system capable of simultaneous passive imaging and dynamic ranging in different regions of the detector is presented. Such an adaptive-autonomous detector with both spatial and temporal control requires programmable window of exposure (time frames), ability to switch between readout modes such as full-frame imaging and zero-suppressed data, modification of the number of pixel data bits and independent programmability for distinct detector regions. In this work, a method is presented for seamlessly changing time frames and readout modes without data corruption while still ensuring that the data acquisition system (DAQ) does not need to stop and resynchronize at each change of setting, thus avoiding significant dead time. Data throughput is maximized by using a minimum unique data format, rather than lengthy frame headers, to differentiate between consecutive frames. A data control and transmitter (DCT) synchronizes data transfer from the pixel to the periphery, reconfigures the data to transmit it serially off-chip, while providing optimized decision support based on a DAQ definable mode. Measurements on a test structure demonstrate that the DCT can operate at 1 GHz in a 65 nm LP CMOS process.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Dwarf Galaxies at Cosmic Noon: New JWST Constraints on Satellite Models and Subhalo Tidal Evolution
The advent of JWST has revolutionized the study of faint satellite galaxies at z ≳ 1, enabling statistical constraints on galaxy evolution and the galaxy–halo connection in a previously unexplored mass and redshift regime. We compare satellite abundances at 1 < z < 3.5 from recent JWST observations with predictions from cosmological dark-matter-only zoom-in simulations. We identify and quantify several sources of biases that can impact theoretical satellite counts, finding that assumptions about subhalo tidal evolution introduce the largest uncertainty in predictions for the satellite mass function. Using a flexible galaxy disruption model, we explore a range of disruption scenarios, spanning hydrodynamically motivated and idealized prescriptions, to bracket plausible physical outcomes. We show that varying galaxy durability can change the predicted satellite mass functions by a factor of ∼3.5. The JWST data and our fiducial model are consistent within 1σ–2σ across the full redshift (1 < z < 3.5) and stellar mass (M⋆ > 10 7 M ⊙ ) range probed. We find evidence that subhalos are at least as long-lived as predicted by hydrodynamic simulations. Our framework will enable robust constraints on the tidal evolution of subhalos with future observations. This work presents the first direct comparison between cosmological models and observations of the high-redshift satellite population in this low-mass regime. These results showcase JWST’s emerging power to test structure formation in the first half of the Universe in a new domain and to constrain the physical processes driving the evolution of low-mass galaxies across cosmic time.
79 ASTRONOMY AND ASTROPHYSICS↗
A High Current, Short Pulse, RF Synchronized Electron Gun for the Stanford Linear Accelerator
For the generation of intense single and multiple bunches of electrons (>8 nc per bunch) for accelerator studies at SLAC, a high peak current photoemission electron gun has been developed. A gallium arsenide photocathode is illuminated by the optical beam from a frequency doubled, actively mode-locked and Q-switched Nd:YAG laser. The mode-locked optical pulses are of variable, sub-nanosecond width and occur with a spacing of 8.4 nsec, synchronized with the 2856 MHz accelerator rf. The gun is designed to be space charge limited at 15 A and 200 kV, although emission of 60 A was obtained with a 57 kV test structure, corresponding to a current density of 180 A/cm 2 . With the proper choice of laser wavelength, the electron beam may be 40% longitudinally polarized.
Sinclair, C.↗
Hydrogen Transport from Dielectrics to poly-Si/SiOx Passivating Contacts Measured by Mass Spectrometry and Vibrational Spectroscopy
We demonstrate the relationship between Si solar cell passivation and hydrogen content of various passivating films, including hydrogenated amorphous silicon (a-Si:H), aluminum oxide (Al2O3), silicon nitride (SiNx) and combinations thereof. Through isotopic studies using quadrupole mass spectrometry (QMS), Fourier transform infrared spectroscopy (FTIR), and Raman spectroscopy, we determine how hydrogen content and stability within each type of film relates to final passivation quality of solar cell test structures. Si solar cells using polycrystalline silicon on silicon oxide (poly-Si/SiOx) passivating contacts are at the forefront of Si solar cell research and emerging as top performers within industrial production. Performance of passivating contact Si solar cells is largely determined by a parameter known as the open-circuit voltage Voc, which directly relates to material quality within the bulk of the device and at surfaces. High Voc is achieved when defects within the bulk crystalline silicon (c-Si) and at interfaces are passivated, preventing them from acting as charge carrier recombination centers. One of the most important means of passivating defects within Si solar cells is via hydrogenation, injecting the cells with large amounts of H to satisfy dangling bonds in the bulk and at interfaces. Hydrogen is especially important in deactivating a prevalent defect in industrial p-type devices which leads to decreased device performance over long-term exposure to light, called light-induced degradation (LID). Some of the most common materials used to supply H to devices are a-Si:H, Al2O3, and SiNx, which can contain very large amounts of H. Upon annealing at elevated temperatures, the hydrogen becomes mobile enough to find and disable defect sites. However, too much hydrogen can also be problematic, sometimes leading to an effect called light and elevated temperature induced degradation (LeTID). It has been shown that these films passivate the interfaces of poly-Si passivating contacts differently, leading to differing performance. Though Al2O3 is a well-defined dielectric material, SiNx can have many different values of x depending on precursor gases and deposition conditions. We observe different FTIR and Raman spectra from different SiNx over a range of x values films to determine the bonding environments within them and further correlate the relative concentrations of Si, N, and H to the stability of H within SiNx and the passivation performance of each film. Because deuterium is chemically identical to hydrogen within these systems, but gives different signals in FTIR and Raman spectroscopy as well as in QMS, isotopic substitution can be used as an excellent tool to probe the H within films. In addition to measuring the H and D bonding within films using FTIR and Raman spectroscopy, we will use such isotopic experiments to observe H and D movement out of these hydrogenating films at elevated temperatures using QMS to determine the stability of H bonding within such systems. With these films characterized based on elemental composition, we will relate such measurements to passivation quality of these films and combinations thereof on poly-Si/SiOx contact structures using quasi-steady state photoconductance decay measurements to obtain implied open-circuit voltage (iVoc) and saturation current density J0 values. Such investigations into the performance of different passivating films and film stacks will lead to greater understanding of dielectrics in semiconductor devices, further improvements in passivated contact design, and eventually, greater proliferation of renewable solar energy worldwide.
Al2O3↗
2021 Component Innovation Awardee: Siva Powers America
Siva Powers America earned a Competitiveness Improvement Project (CIP) Component Innovation award that will enable the company to evolve its 250/50 wind turbine design, discontinue its existing 13.4-meter wind turbine blades, and develop new 14.4-meter blades. These longer blades, which have additional extenders at the hub, will increase the rotor diameter to 35 meters, allowing for improved energy production at sites with lower wind resources. A collaboration with the National Renewable Energy Laboratory (NREL) includes a redesign, build, and on-site structural test for the new prototype blades. This will ultimately allow Siva Powers America to pursue recertification of the SIVA 250/50 to meet international standards.
CIP↗
Wireless and chip-less passive radiation sensors for high dose monitoring
The safety of nuclear infrastructures may involve the monitoring of many parameters in harsh environments (high radiation level, high temperature, high pressure,..). If technological solutions exist for transducers part in such environments, the electronic part used in reader is not appropriate and still a challenging task. Well-known solutions to remove the electronic part from the harsh environment consist of connecting the transducer and the reader by long electrical wires or performing ex situ remote sensing. However wires may practically be difficult to implement while ex situ measurements are not compatible with on line monitoring. Wireless and passive sensors working in harsh environments could be an appropriate solution for the remote sensing of critical parameters. Passive sensors without electronics in the sensing unit are available (e.g., SAW sensors) but they suffer from short reading range (typically lower than 10 meters). In order to overcome this range limitation a new class of electromagnetic transducers was developed in the mid-2000's. The operating principle is based on the modification of the properties of high-frequency (>> 1 GHz) passive electromagnetic devices by the quantity to be measured. Based on this principle a wide range of sensing properties can be addressed and a large number of materials can be chosen. Moreover the use of high frequency allows reducing the size of the sensor elements (antenna, transducer) and enhancing the immunity to multi-path. Several principles of RF transducers have been already validated by LAAS-CNRS (e;g; pressure, temperature, stress) as well as radar-based solution for the wireless long-range sensors interrogation. The sensor dosimeter exploit here the known property of Hydrogen-Pressure Dosimeters (HPD) for which the polymer material dehydrogenates under nuclear irradiation. The transducer principle is described. The irradiation will generate the out-gazing (hydrogen) of the polymer inside a micro-chamber. The resulting overpressure leads to the deflection of a silicon membrane which modifies the resonant frequency of the RF resonator. Tests structures have been designed in order to quantify the HDPE out-gazing inside a micro-cavity by measuring the deflection of a boss silicon membrane with a mechanical profiler. A specific set up using interferometry method has been also developed to evaluate the pressure generated inside the micro-cavity. The procedure consists in applying a pressure that pushes the membrane to recover a flat membrane. This condition is monitored thanks to the extinction of the Newton rings. Irradiations have been performed up to 30 kGy using 6 MeV focused e-beam providing by electron accelerator. Membrane deflection and generated pressure around 0.2 μm/mg{sub HDPE}/kGy and 70 mbar/mg{sub HDPE}/kGy has been obtained for a 70 μm thick membrane. In order to characterize the hermetic sealing of the micro-chamber under hydrogen over-pressure, membrane deflection after irradiation has been recorded during 50 days. The variations of membrane deflection are randomly distributed and generally lower than ±5%, showing a good hermeticity during this period. (authors)
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Post-Deployment Characterization of Glass Fiber-Reinforced Thermoset and Thermoplastic Composite Tidal Turbine Blades: Preprint
In 2021, the National Renewable Energy Laboratory (NREL) supported Verdant Power with the most successful tidal energy deployment in U.S. history. Three of their tidal turbines were deployed as part of the Roosevelt Island Tidal Energy project. Initially, the three rotors were manufactured from glass fiber-reinforced epoxy composites. Midway through the deployment, one rotor was replaced with one manufactured at NREL. Instead, it was infused with a novel, infusible thermoplastic resin system. Since the deployment, one epoxy rotor and one thermoplastic rotor were returned to NREL for continued materials and manufacturing research. The two rotors underwent full-scale structural testing before being sectioned and cut into specimens for a variety of manufacturing quality tests, thermos-mechanical characterization, and evaluation of material performance in marine environments, to understand the key differences between the fiberglass reinforced epoxy and Elium composites used for the respective rotors. Matrix burnoff tests showed that the Elium blades had a considerably higher fiber volume fraction compared to the epoxy blades (61% vs. 49%). Environmental aging of the specimens showed that the epoxy laminates absorbed more water over the conditioning period, however, it was determined that the Elium laminates had higher diffusion coefficients, so initially absorbed water faster. Finally, one full epoxy blade and one full Elium blade were conditioned at ambient temperatures for up to 11 months, while taking periodic mass measurements. The datasets were extrapolated out to assume a full 20 year operational life span and it was determined that the blades would not reach full saturation during that time span.
composite manufacturing↗
Post-Deployment Characterization of Glass Fiber-Reinforced Thermoset and Thermoplastic Composite Tidal Turbine Blades
In 2021, the National Renewable Energy Laboratory (NREL) supported Verdant Power with the most successful tidal energy deployment in U.S. history. Three of their Gen5d 5 m turbines were deployed as part of the Roosevelt Island Tidal Energy project. Initially, the three deployed rotors were manufactured from glass fiber-reinforced epoxy composites. Midway through the deployment, one rotor was replaced with one manufactured at NREL. The new rotor utilized a novel infusible thermoplastic resin system (Elium from Arkema). Since the deployment, one epoxy rotor and one thermoplastic rotor were returned to NREL for continued materials and manufacturing research. The two rotors underwent full-scale structural testing before being sectioned and cut into specimens for a variety of manufacturing quality tests, thermomechanical characterization, and evaluation of material performance in marine environments to understand the key differences between the fiberglass-reinforced epoxy and Elium composites used for the respective rotors. Matrix burn-off tests showed that the Elium blades had a considerably higher fiber volume fraction compared to the epoxy blades (61% vs. 49%). Environmental aging of the specimens showed that the epoxy laminates absorbed more water over the conditioning period; however, it was determined that the Elium laminates had higher diffusion coefficients, so they initially absorbed water faster. Finally, one full epoxy blade and one full Elium blade were conditioned at ambient temperatures for up to 11 months, while periodic mass measurements were taken. The datasets were extrapolated to assume a full 20-year operational life span, and it was determined that the blades would not reach full saturation during that time span.
composite manufacturing↗
DESI DR2 Reference Mocks: Clustering results from UCHUU ELGs and QSOs
High-redshift galaxy clustering provides a powerful probe of the growth of structure, testing models of dark matter, dark energy, and galaxy formation during the epoch when the Universe was rapidly evolving. Emission line galaxies (ELGs) and quasars (QSOs) are used as tracers of dark matter by the Dark Energy Spectroscopic Instrument (DESI) to probe this redshift regime. We present results from ELG and QSO mock catalogs created from the Uchuu N-body simulation and tuned to DESI Data Release 2 (DR2) clustering. Employing a modified subhalo abundance matching (SHAM) technique, we populate Uchuu halos and subhalos with QSOs between 0.8 < z < 2.1. For ELGs, we modify this method to select satellite galaxies with low velocities relative to their associated central halos, and populate a separate set of Uchuu halos and subhalos with ELGs between 0.8 < z < 1.6. In this paper, we reproduce the redshift evolution of number density and clustering statistics across the fitted range of scales. We also measure the large-scale clustering bias of both the data and mock samples. These results improve simulated lightcone construction from cosmological models and enhance our understanding of the galaxy-halo connection.
Vaisakh, R. [Southern Methodist U.] (ORCID:0009000↗
Shape-constrained Input Estimation for Efficient Multi-shaker Vibration Testing
Multi-shaker vibration testing is gaining interest from structural dynamics test engineers as it can provide a much more accurate match to complicated field vibration responses than traditional single-axis shaker tests. However, the force capabilities of the small modal shakers typically used in multi-shaker vibration tests has limited the achievable response levels. To date, most multi-shaker vibration tests have been performed using a variety of standard, commercially-available control systems. While these control systems are adequate for a wide range of multiple-input/multiple-output tests, their control algorithms have not been tailored for the specific problem of multi-shaker vibration tests: efficiently coordinating the various shakers to work together to achieve a desired response. Here, a new input estimation algorithm is developed and demonstrated using simulations and actual test data. This algorithm, dubbed shape-constrained input estimation, is shown to effectively coordinate multiple shakers using a set of constraint vectors based on the deflection shapes of the test structure. This is accomplished by using the singular vector shapes of the system frequency response matrix, which allows the constraint vectors to automatically change as a function of frequency. Simulation and test results indicate a significant reduction in the input forces required to achieve a desired response. Finally, the results indicate that shape-constrained input estimation is an effective method to achieve higher response levels from limited shaker forces which will enable higher level multi-shaker vibration tests to be performed.
42 ENGINEERING↗
ON THE EFFECTIVENESS OF LLMS IN UNIT TEST GENERATION FOR STRUCTURED TEXT PROGRAMS
The reliability of industrial automation systems heavily depends on the correctness of Programmable Logic Controller (PLC) programs, which are often written in Structured Text (ST). While Large Language Models (LLMs) have shown promise in automating test generation for mainstream programming languages, their effectiveness for the syntactically strict ST language remains underexplored. This thesis presents a systematic empirical evaluation of three state-of-the-art LLMs—GPT-4o, Gemini 2.5 Pro, and Claude Sonnet 4.5—for generating ST unit tests. We examine three prompting strategies: Natural Language (NL), Code Language (CL), and Chain-of-Thought (CoT), across a curated set of 11 ST function blocks. The quality of the generated tests is assessed using Compilation Success Rate (CSR), Statement Coverage (SC), and Branch Coverage (BC). In the zero-shot setting, Claude Sonnet 4.5 achieves the highest CSR, while Gemini 2.5 Pro consistently delivers the best statement and branch coverage, particularly under CL prompts. By incorporating a one-shot CL prompt, all models exhibit substantial improvements—most notably GPT-4o, whose CSR increases from 45.45% to 90.91%, with substantial gains in both SC and BC. To further contextualize these findings, we compare GPT-4o’s one-shot results with PLCAutoTester, a state-ofthe- art ST unit test generation tool, on an additional benchmark dataset. While LLMgenerated tests approach competitive coverage levels, PLCAutoTester maintains significantly higher and more stable coverage across programs. This study provides the first comprehensive benchmark of modern LLMs for ST unit testing, highlighting their strengths, limitations, and improvements through one-shot prompting, and positioning their performance relative to specialized automated testing tools in industrial automation.
42 ENGINEERING↗
Report on the sixth blind test of organic crystal structure prediction methods
The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride salt hydrate, a co-crystal and a bulky flexible molecule. This blind test has seen substantial growth in the number of participants, with the broad range of prediction methods giving a unique insight into the state of the art in the field. Significant progress has been seen in treating flexible molecules, usage of hierarchical approaches to ranking structures, the application of density-functional approximations, and the establishment of new workflows and `best practices' for performing CSP calculations. All of the targets, apart from a single potentially disordered Z ' = 2 polymorph of the drug candidate, were predicted by at least one submission. Despite many remaining challenges, it is clear that CSP methods are becoming more applicable to a wider range of real systems, including salts, hydrates and larger flexible molecules. The results also highlight the potential for CSP calculations to complement and augment experimental studies of organic solid forms.
Chemistry↗
LANL Test Engineering’s Structural Dynamics Research and Development Efforts [Slides]
LANL's priority roles are serving as a nuclear weapons design agency and a nuclear weapons production agency; addressing nuclear threats; and performing national security science, technology, and engineering. LANL’s Test Engineering organization serves the national mission of maintaining a strategic nuclear deterrent by providing high-quality, empirical evidence through the execution and assessment of weapons system and component testing. Shock and vibration environmental testing provides one key piece of evidence for evaluation and qualification of these systems and components in the service environments incurred during a lifetime in the stockpile. LANL’s Test Engineering group continuously pursues research and development in structural dynamics to improve shock and vibration testing capabilities, processes, and analysis techniques to increase the fidelity of service environment recreations in laboratory testing settings. This talk will highlight several ongoing projects to represent these R&D efforts.
42 ENGINEERING↗